data_1mwy_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 1mwy _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.665 -0.865 . . . . 1.6899999999999999 108.665 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -99.14 113.51 25.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.362 -1.29 . . . . 6.4900000000000002 109.587 -174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.492 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.6 m-85 -98.1 141.63 30.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.784 1.234 . . . . 3.48 112.076 172.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 4.7 m -123.38 151.57 42.43 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 123.607 0.763 . . . . 2.8300000000000001 110.506 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.492 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -140.31 159.22 42.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 1.1799999999999999 109.506 171.414 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -110.66 120.19 41.6 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.379 -2.082 . . . . 2.54 105.379 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.38 160.06 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.311 1.044 . . . . 1.8 109.357 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.74 113.81 15.19 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.636 -1.246 . . . . 1.9199999999999999 107.636 166.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -26.19 2.97 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.543 2.021 . . . . 0.89000000000000001 112.628 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.36 77.23 8.26 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.184 -1.186 . . . . 2.8999999999999999 112.288 -168.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -142.56 69.13 1.31 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.786 0.803 . . . . 3.4399999999999999 110.669 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -162.96 149.57 12.6 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.804 -0.56 . . . . 2.29 111.104 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 63.71 3.0 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.565 0.95 . . . . 2.9199999999999999 113.565 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.6 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 127.172 2.189 . . . . 2.0099999999999998 109.383 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -68.22 -31.71 71.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.879 -0.786 . . . . 3.1800000000000002 108.879 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.48 -47.02 80.12 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.502 -0.479 . . . . 1.6299999999999999 111.249 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 -63.58 -53.24 54.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.45 -0.945 . . . . 4.6600000000000001 108.45 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.04 -37.75 54.64 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.446 -0.784 . . . . 5.2199999999999998 111.991 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.51 -61.87 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.286 0.634 . . . . 1.8200000000000001 110.873 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.67 -41.44 97.55 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 119.461 1.028 . . . . 1.77 108.444 -171.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -62.85 -34.86 78.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.405 1.082 . . . . 0.54000000000000004 110.745 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.8 -24.76 53.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.442 0.565 . . . . 1.53 112.225 168.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -95.07 -44.78 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.642 1.177 . . . . 2.7799999999999998 111.141 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -61.36 -29.87 70.17 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.376 -1.452 . . . . 3.75 110.18 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.62 -12.21 21.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.978 1.103 . . . . 0.63 113.978 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.87 -119.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.165 0.893 . . . . 1.72 109.276 176.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.21 -48.91 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.498 -0.751 . . . . 1.5 109.36 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.88 -20.62 79.74 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 115.662 -0.699 . . . . 0.46000000000000002 112.407 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.85 134.21 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.083 -0.71 . . . . 1.8300000000000001 109.083 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.84 21.37 1.97 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.557 0.577 . . . . 2.6499999999999999 112.557 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -178.99 143.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.821 2.048 . . . . 2.3599999999999999 106.008 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.38 138.46 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.056 1.342 . . . . 3.9399999999999999 108.398 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -131.82 87.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.577 1.151 . . . . 2.2400000000000002 108.663 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.19 109.71 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.068 1.347 . . . . 2.9100000000000001 107.524 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.8 tp -112.33 116.17 29.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.933 0.893 . . . . 1.79 109.141 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -62.37 167.61 4.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.198 0.599 . . . . 3.7999999999999998 111.669 170.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.33 -50.43 0.55 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 127.04 2.136 . . . . 2.25 112.643 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -71.7 -26.11 62.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.45 -0.781 . . . . 2.1299999999999999 109.429 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 57.54 38.62 28.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 122.678 1.227 . . . . 4.2300000000000004 108.993 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.77 128.08 54.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 106.409 -1.7 . . . . 2.6499999999999999 106.409 -171.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.98 139.07 36.18 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 107.971 -1.122 . . . . 2.2599999999999998 107.971 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 t -130.13 147.86 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 O-C-N 124.412 1.07 . . . . 1.8100000000000001 110.237 160.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.1 t -138.56 120.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.945 1.698 . . . . 1.6000000000000001 106.635 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.35 113.36 26.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.45 -1.685 . . . . 2.2599999999999998 106.45 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.26 140.09 35.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.238 0.615 . . . . 1.5600000000000001 109.422 -173.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 58.01 4.81 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.385 -0.598 . . . . 1.8999999999999999 109.385 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.21 151.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.313 2.245 . . . . 1.77 109.009 178.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.425 ' OD2' ' NH1' ' A' ' 53' ' ' ARG . 14.3 t0 -70.67 125.08 25.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.562 -0.903 . . . . 3.2999999999999998 108.562 169.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.8 27.19 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.547 -0.909 . . . . 1.72 108.547 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 49.6 mtm-85 -63.59 -43.76 96.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 121.149 -0.97 . . . . 3.46 111.2 -169.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -32.43 68.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.694 0.621 . . . . 1.8400000000000001 109.672 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -45.16 57.97 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.816 -0.809 . . . . 2.9500000000000002 108.816 -177.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 99.2 t -65.51 -47.43 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.737 -0.838 . . . . 1.8300000000000001 108.737 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -46.84 -59.54 3.0 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.793 -1.099 . . . . 2.3799999999999999 111.45 170.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -48.6 -43.81 36.45 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.704 1.138 . . . . 1.6299999999999999 110.318 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.28 -48.81 80.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.377 0.671 . . . . 1.72 112.467 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.2 mt -71.31 -38.66 71.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.166 0.986 . . . . 2.1200000000000001 110.286 -175.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -58.07 7.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.405 -0.816 . . . . 2.6600000000000001 110.522 166.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -60.89 -35.3 76.29 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.998 1.272 . . . . 6.1399999999999997 111.609 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -20.51 66.38 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.926 0.49 . . . . 1.5700000000000001 111.801 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.68 37.71 3.89 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.413 1.006 . . . . 0.66000000000000003 111.541 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -127.6 122.96 34.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.626 0.713 . . . . 3.4100000000000001 109.177 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m -81.39 114.31 20.07 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.976 -1.49 . . . . 2.48 106.976 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 pp -110.52 -179.61 3.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.311 0.644 . . . . 2.1200000000000001 110.979 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.61 128.63 37.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.003 -2.221 . . . . 3.8700000000000001 105.003 163.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 115.65 5.27 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 125.486 1.515 . . . . 3.6699999999999999 107.372 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -90.88 165.21 13.72 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 123.11 1.433 . . . . 2.7799999999999998 112.373 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 CA--C 1.537 0.443 0 CA-C-N 113.25 -1.795 . . . . 7.29 110.889 175.702 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.665 -0.865 . . . . 1.6899999999999999 108.665 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -99.14 113.51 25.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.362 -1.29 . . . . 6.4900000000000002 109.587 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.492 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.6 m-85 -98.1 141.63 30.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.784 1.234 . . . . 3.48 112.076 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 4.7 m -123.38 151.57 42.43 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 123.607 0.763 . . . . 2.8300000000000001 110.506 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.492 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -140.31 159.22 42.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 1.1799999999999999 109.506 171.414 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -110.66 120.19 41.6 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.379 -2.082 . . . . 2.54 105.379 172.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.38 160.06 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.311 1.044 . . . . 1.8 109.357 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.74 113.81 15.19 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.636 -1.246 . . . . 1.9199999999999999 107.636 166.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -26.19 2.97 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.543 2.021 . . . . 0.89000000000000001 112.628 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.36 77.23 8.26 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.184 -1.186 . . . . 2.8999999999999999 112.288 -168.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -142.56 69.13 1.31 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.786 0.803 . . . . 3.4399999999999999 110.669 166.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -162.96 149.57 12.6 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.804 -0.56 . . . . 2.29 111.104 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 63.71 3.0 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.565 0.95 . . . . 2.9199999999999999 113.565 -169.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.6 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 127.172 2.189 . . . . 2.0099999999999998 109.383 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -68.22 -31.71 71.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.879 -0.786 . . . . 3.1800000000000002 108.879 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.48 -47.02 80.12 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.502 -0.479 . . . . 1.6299999999999999 111.249 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 -63.58 -53.24 54.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.45 -0.945 . . . . 4.6600000000000001 108.45 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.04 -37.75 54.64 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.446 -0.784 . . . . 5.2199999999999998 111.991 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.51 -61.87 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.286 0.634 . . . . 1.8200000000000001 110.873 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.67 -41.44 97.55 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 119.461 1.028 . . . . 1.77 108.444 -171.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -62.85 -34.86 78.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.405 1.082 . . . . 0.54000000000000004 110.745 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.8 -24.76 53.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.442 0.565 . . . . 1.53 112.225 168.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -95.07 -44.78 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.642 1.177 . . . . 2.7799999999999998 111.141 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -61.36 -29.87 70.17 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.376 -1.452 . . . . 3.75 110.18 -173.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.62 -12.21 21.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.978 1.103 . . . . 0.63 113.978 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.87 -119.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.165 0.893 . . . . 1.72 109.276 176.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.21 -48.91 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.498 -0.751 . . . . 1.5 109.36 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.88 -20.62 79.74 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 115.662 -0.699 . . . . 0.46000000000000002 112.407 -176.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.85 134.21 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.083 -0.71 . . . . 1.8300000000000001 109.083 174.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.84 21.37 1.97 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.557 0.577 . . . . 2.6499999999999999 112.557 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -178.99 143.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.821 2.048 . . . . 2.3599999999999999 106.008 174.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.38 138.46 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.056 1.342 . . . . 3.9399999999999999 108.398 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -131.82 87.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.577 1.151 . . . . 2.2400000000000002 108.663 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.19 109.71 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.068 1.347 . . . . 2.9100000000000001 107.524 173.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.8 tp -112.33 116.17 29.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.933 0.893 . . . . 1.79 109.141 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -62.37 167.61 4.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.198 0.599 . . . . 3.7999999999999998 111.669 170.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.33 -50.43 0.55 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 127.04 2.136 . . . . 2.25 112.643 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -71.7 -26.11 62.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.45 -0.781 . . . . 2.1299999999999999 109.429 171.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 57.54 38.62 28.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 122.678 1.227 . . . . 4.2300000000000004 108.993 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.77 128.08 54.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 106.409 -1.7 . . . . 2.6499999999999999 106.409 -171.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.98 139.07 36.18 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 107.971 -1.122 . . . . 2.2599999999999998 107.971 -178.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 t -130.13 147.86 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 O-C-N 124.412 1.07 . . . . 1.8100000000000001 110.237 160.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.1 t -138.56 120.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.945 1.698 . . . . 1.6000000000000001 106.635 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.35 113.36 26.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.45 -1.685 . . . . 2.2599999999999998 106.45 175.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.26 140.09 35.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.238 0.615 . . . . 1.5600000000000001 109.422 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 58.01 4.81 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.385 -0.598 . . . . 1.8999999999999999 109.385 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.21 151.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.313 2.245 . . . . 1.77 109.009 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.425 ' OD2' ' NH1' ' A' ' 53' ' ' ARG . 14.3 t0 -70.67 125.08 25.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.562 -0.903 . . . . 3.2999999999999998 108.562 169.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.8 27.19 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.547 -0.909 . . . . 1.72 108.547 169.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 49.6 mtm-85 -63.59 -43.76 96.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 121.149 -0.97 . . . . 3.46 111.2 -169.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -32.43 68.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.694 0.621 . . . . 1.8400000000000001 109.672 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -45.16 57.97 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.816 -0.809 . . . . 2.9500000000000002 108.816 -177.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 99.2 t -65.51 -47.43 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.737 -0.838 . . . . 1.8300000000000001 108.737 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -46.84 -59.54 3.0 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.793 -1.099 . . . . 2.3799999999999999 111.45 170.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -48.6 -43.81 36.45 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.704 1.138 . . . . 1.6299999999999999 110.318 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.28 -48.81 80.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.377 0.671 . . . . 1.72 112.467 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.2 mt -71.31 -38.66 71.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.166 0.986 . . . . 2.1200000000000001 110.286 -175.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -58.07 7.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.405 -0.816 . . . . 2.6600000000000001 110.522 166.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -60.89 -35.3 76.29 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.998 1.272 . . . . 6.1399999999999997 111.609 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -20.51 66.38 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.926 0.49 . . . . 1.5700000000000001 111.801 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.68 37.71 3.89 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.413 1.006 . . . . 0.66000000000000003 111.541 172.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -127.6 122.96 34.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.626 0.713 . . . . 3.4100000000000001 109.177 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m -81.39 114.31 20.07 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.976 -1.49 . . . . 2.48 106.976 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 pp -110.52 -179.61 3.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.311 0.644 . . . . 2.1200000000000001 110.979 173.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.61 128.63 37.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.003 -2.221 . . . . 3.8700000000000001 105.003 163.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 115.65 5.27 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 125.486 1.515 . . . . 3.6699999999999999 107.372 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -90.88 165.21 13.72 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 123.11 1.433 . . . . 2.7799999999999998 112.373 174.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 CA--C 1.537 0.443 0 CA-C-N 113.25 -1.795 . . . . 7.29 110.889 175.702 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 109.573 -0.528 . . . . 1.8799999999999999 109.573 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.24 112.25 24.3 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.383 -1.28 . . . . 6.0 107.871 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 34.0 m-85 -103.78 128.64 51.17 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.627 0.603 . . . . 3.1000000000000001 112.627 169.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.419 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 5.6 m -108.79 149.15 29.47 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.114 0.884 . . . . 2.7200000000000002 110.213 175.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -135.3 167.24 21.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.164 0.586 . . . . 1.1399999999999999 111.338 166.821 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -117.88 105.92 12.43 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 126.6 1.96 . . . . 3.8399999999999999 106.227 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.8 t -108.2 144.49 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 119.704 1.138 . . . . 1.8300000000000001 108.534 -170.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.9 99.25 5.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.177 -1.046 . . . . 1.52 108.177 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.5 -34.9 0.82 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 123.483 0.563 . . . . 0.76000000000000001 111.698 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.6 ptm -69.79 95.71 0.92 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 122.326 -0.514 . . . . 3.0099999999999998 111.518 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -148.91 82.68 1.45 Allowed 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.908 -0.495 . . . . 2.7400000000000002 109.798 163.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -155.16 -95.57 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.092 0.557 . . . . 2.1600000000000001 110.577 174.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.82 -58.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.206 1.403 . . . . 2.1699999999999999 108.345 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.75 -33.99 50.87 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.787 -0.642 . . . . 2.0699999999999998 110.831 171.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 m -72.26 -41.44 66.73 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.423 -0.954 . . . . 2.6200000000000001 108.423 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.02 93.85 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.216 -0.291 . . . . 1.6299999999999999 110.216 177.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -60.51 -55.08 37.71 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 118.589 -1.244 . . . . 4.0499999999999998 109.719 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -49.11 -39.59 28.95 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.544 -0.722 . . . . 4.2800000000000002 112.409 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.53 -62.7 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 118.862 0.755 . . . . 1.71 109.944 170.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.54 -46.45 88.85 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.237 -1.394 . . . . 1.96 107.237 -168.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -61.55 -36.96 82.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.677 1.191 . . . . 0.56000000000000005 110.342 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -22.13 42.54 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.676 0.621 . . . . 1.5800000000000001 112.676 170.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 t -95.75 -44.9 13.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.624 1.17 . . . . 2.8100000000000001 110.81 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -61.32 -30.77 70.71 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 119.906 -1.746 . . . . 3.0699999999999998 110.69 -173.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -61.92 -14.61 36.09 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 114.126 1.158 . . . . 0.56999999999999995 114.126 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.33 -109.22 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.279 0.945 . . . . 1.6899999999999999 110.303 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 176.67 -49.85 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.29 1.436 . . . . 1.6100000000000001 108.642 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.74 -6.65 78.33 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.457 -0.792 . . . . 0.68000000000000005 113.378 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.1 t -75.45 143.97 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 124.72 1.208 . . . . 1.71 109.16 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -114.32 -43.81 3.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 O-C-N 123.166 0.291 . . . . 2.71 110.348 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -161.93 145.22 12.04 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.114 -1.439 . . . . 2.6400000000000001 107.114 -172.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.8 m -139.13 149.06 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.755 -1.202 . . . . 3.4500000000000002 107.755 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -139.16 99.03 3.65 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.016 1.389 . . . . 2.5 109.631 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 m -90.18 122.53 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 127.37 2.268 . . . . 2.4399999999999999 106.717 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 tp -128.04 113.79 16.25 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.946 -1.131 . . . . 1.8100000000000001 107.946 -175.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -67.4 164.21 19.13 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 123.97 0.794 . . . . 4.2999999999999998 111.686 173.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 74.97 -48.3 0.64 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 128.259 2.624 . . . . 2.2999999999999998 110.134 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -24.65 67.92 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.929 0.492 . . . . 2.23 110.171 162.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 50.37 31.45 5.38 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 125.239 1.416 . . . . 3.7999999999999998 111.54 -178.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 131.36 54.48 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.561 -1.2 . . . . 3.8999999999999999 108.567 -172.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.94 133.73 41.2 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 104.413 -2.44 . . . . 3.0 104.413 -178.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 t -132.62 132.85 59.87 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 O-C-N 124.26 0.975 . . . . 1.8899999999999999 110.194 163.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.8 t -130.2 118.25 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 C-N-CA 125.923 1.689 . . . . 1.6599999999999999 106.995 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.14 112.35 24.35 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.219 -1.4 . . . . 2.1899999999999999 107.219 173.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.79 131.77 15.24 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 114.776 -1.102 . . . . 1.6899999999999999 108.877 -169.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.68 56.24 2.63 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.834 -0.802 . . . . 2.2799999999999998 108.834 -168.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 165.69 150.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.487 1.515 . . . . 1.9299999999999999 109.391 -172.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -73.96 103.47 4.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.849 1.66 . . . . 4.3600000000000003 110.817 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.85 26.31 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.808 0.843 . . . . 1.7 111.024 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -67.57 -49.63 62.25 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 120.835 -1.166 . . . . 4.5499999999999998 111.225 -170.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.31 -32.12 62.21 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 124.299 0.999 . . . . 1.3200000000000001 109.099 172.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -46.76 63.28 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 108.067 -1.086 . . . . 2.6000000000000001 108.067 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.481 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 42.9 t -65.84 -50.26 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 CA-C-N 115.74 -0.664 . . . . 1.6399999999999999 109.418 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -44.16 -54.61 5.46 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 117.907 -1.044 . . . . 2.6000000000000001 112.331 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -53.37 -44.35 68.52 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.966 1.257 . . . . 1.3300000000000001 110.507 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.04 88.75 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.202 0.601 . . . . 1.5600000000000001 112.018 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -64.49 -44.06 92.17 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.722 -0.844 . . . . 2.1600000000000001 108.722 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -56.17 13.65 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.279 -0.873 . . . . 2.9500000000000002 110.183 174.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -60.98 -48.58 81.17 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.177 0.436 . . . . 6.7400000000000002 112.177 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.79 -36.33 58.12 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.907 0.883 . . . . 1.71 110.999 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.91 50.91 0.19 Allowed Glycine 0 C--N 1.336 0.576 0 N-CA-C 111.113 -0.795 . . . . 0.73999999999999999 111.113 164.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -134.24 145.42 49.12 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 117.293 0.546 . . . . 3.3700000000000001 110.037 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.4 m -94.12 123.51 37.55 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.119 -1.437 . . . . 2.04 107.119 170.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 pp -135.17 175.16 9.83 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.002 -0.74 . . . . 2.1499999999999999 109.002 168.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -137.22 138.01 39.7 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 103.555 -2.758 . . . . 4.2300000000000004 103.555 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -54.42 100.58 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 122.936 1.35 . . . . 3.1499999999999999 110.807 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.55 174.21 11.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.528 -1.286 . . . . 2.27 107.528 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? . . . . . 0 CA--C 1.54 0.584 0 O-C-N 120.467 -1.396 . . . . 5.1500000000000004 112.897 174.861 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 108.578 -0.897 . . . . 1.75 108.578 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -97.6 124.78 42.01 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 107.356 -1.35 . . . . 5.7000000000000002 107.356 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -129.45 142.11 50.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 118.294 -0.86 . . . . 3.8900000000000001 112.181 176.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t -123.57 160.15 27.67 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.377 1.621 . . . . 3.2599999999999998 115.377 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.41 ' CD1' HD11 ' A' ' 67' ' ' LEU . 5.7 m-90 -140.86 147.24 38.64 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 126.012 1.725 . . . . 2.5800000000000001 109.638 172.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.02 97.44 8.59 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 107.481 -1.303 . . . . 4.1699999999999999 107.481 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 t -96.46 100.12 10.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.76 0.791 . . . . 2.2999999999999998 109.69 -163.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -100.14 92.58 5.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 105.618 -1.993 . . . . 1.8400000000000001 105.618 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.56 -36.28 0.47 Allowed Glycine 0 CA--C 1.525 0.658 0 CA-C-N 114.796 -1.093 . . . . 1.1899999999999999 110.597 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.47 101.66 3.01 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.087 -1.045 . . . . 2.8900000000000001 112.282 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.433 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 26.1 t0 -139.21 93.62 2.71 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.192 -0.299 . . . . 3.0899999999999999 110.192 162.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 168.02 145.43 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 126.268 1.827 . . . . 2.3900000000000001 108.817 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 51.49 0.49 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.821 1.248 . . . . 2.4300000000000002 111.798 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.34 -50.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 126.483 1.913 . . . . 2.3300000000000001 107.825 -169.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.4 m -67.64 -37.19 82.1 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 107.578 -1.267 . . . . 2.8599999999999999 107.578 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.73 -50.71 43.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.009 -0.542 . . . . 2.1600000000000001 111.078 166.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -62.01 -42.07 98.75 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 120.862 -1.149 . . . . 4.1299999999999999 110.932 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -45.95 -42.03 12.39 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.154 -0.966 . . . . 3.6000000000000001 112.241 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.0 t -58.47 -64.55 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 118.375 0.534 . . . . 1.6799999999999999 110.208 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -58.87 -43.69 90.92 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 106.97 -1.493 . . . . 2.2799999999999998 106.97 -166.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -62.07 -42.44 99.2 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 123.97 0.908 . . . . 0.81000000000000005 110.639 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.05 66.21 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.334 0.515 . . . . 1.8 112.318 172.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.3 t -80.87 -42.08 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.598 0.759 . . . . 2.79 109.857 173.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -66.24 -38.63 88.35 Favored 'General case' 0 N--CA 1.461 0.11 0 O-C-N 120.467 -1.396 . . . . 3.02 111.171 -173.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -57.2 -14.68 4.45 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.48 1.289 . . . . 0.76000000000000001 114.48 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 mt -65.72 -108.63 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.891 0.876 . . . . 2.0800000000000001 111.491 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.99 -51.05 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.615 1.166 . . . . 1.6399999999999999 108.732 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.09 -5.71 87.21 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.449 -0.796 . . . . 0.78000000000000003 113.661 -173.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.6 t -74.39 146.51 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 118.371 1.085 . . . . 1.6599999999999999 108.107 174.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.8 -52.13 1.69 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 118.786 -0.626 . . . . 2.46 111.383 171.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -126.94 103.05 7.27 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 119.458 1.026 . . . . 3.3599999999999999 110.243 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 p -82.75 142.51 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 121.283 -0.885 . . . . 2.3599999999999999 108.753 171.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.14 107.98 8.98 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.908 1.283 . . . . 3.1699999999999999 108.183 171.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -98.24 113.93 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 106.633 -1.618 . . . . 2.48 106.633 172.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.6 tp -100.85 82.31 2.39 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 105.607 -1.997 . . . . 1.8600000000000001 105.607 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 3.4 t80 -69.21 77.75 0.36 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.089 -1.078 . . . . 4.3700000000000001 108.089 170.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -168.94 -62.15 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 126.991 2.117 . . . . 3.4500000000000002 105.971 169.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -93.29 48.85 1.34 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.029 1.332 . . . . 2.3500000000000001 110.106 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 31.49 32.2 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.344 3.058 . . . . 5.4800000000000004 118.086 172.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -121.57 140.68 51.92 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.047 -1.033 . . . . 2.8900000000000001 111.701 -165.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.47 127.28 44.34 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 104.309 -2.478 . . . . 2.7200000000000002 104.309 160.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 p -123.41 118.13 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.708 -1.219 . . . . 3.5099999999999998 107.708 155.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.44 120.66 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 C-N-CA 126.861 2.065 . . . . 2.0899999999999999 109.159 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.47 110.63 23.15 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.15 -1.426 . . . . 2.23 107.15 170.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.36 132.05 39.0 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 114.9 -1.046 . . . . 1.78 109.333 -176.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.8 56.69 3.76 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.403 -0.592 . . . . 2.0699999999999998 109.403 -178.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 157.53 151.82 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 127.601 2.36 . . . . 1.9099999999999999 108.331 -174.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -72.3 129.53 38.64 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 108.795 -0.817 . . . . 3.3399999999999999 108.795 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 pp -141.8 21.07 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 109.026 -0.731 . . . . 1.8100000000000001 109.026 171.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.402 ' HD2' ' CZ2' ' A' ' 8' ' ' TRP . 14.2 mtm-85 -69.94 -37.16 75.8 Favored 'General case' 0 CA--C 1.495 -1.135 0 C-N-CA 117.36 -1.736 . . . . 4.2199999999999998 109.698 -169.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.23 -32.9 38.91 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 119.07 0.85 . . . . 2.0800000000000001 109.527 173.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -50.44 18.58 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.126 -0.694 . . . . 2.5 109.126 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.5 t -62.49 -48.14 89.67 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 CA-C-N 116.133 -0.485 . . . . 1.79 110.033 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.9 -52.98 63.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.062 1.345 . . . . 3.02 107.611 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.8 m -46.51 -53.16 11.81 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.605 0.638 . . . . 3.2599999999999998 111.69 170.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.71 96.6 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.912 0.708 . . . . 1.73 112.912 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.2 mt -70.02 -43.23 71.77 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.686 1.194 . . . . 2.1600000000000001 108.455 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.33 -51.79 63.6 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.967 -0.753 . . . . 3.6499999999999999 108.967 174.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -58.04 -49.48 76.74 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.187 0.195 . . . . 4.4000000000000004 110.761 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.42 -38.2 68.66 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.036 0.934 . . . . 1.6000000000000001 110.899 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.31 52.67 0.14 Allowed Glycine 0 C--N 1.335 0.507 0 N-CA-C 110.432 -1.067 . . . . 0.68000000000000005 110.432 169.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -128.18 173.52 10.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.711 0.804 . . . . 3.29 109.419 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.7 p -130.81 135.01 47.34 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.091 -1.448 . . . . 2.6499999999999999 107.091 169.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' A' ' 8' ' ' TRP . 2.5 pp -156.23 170.16 22.89 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 126.918 2.087 . . . . 2.1000000000000001 107.919 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -150.17 99.88 2.85 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.249 1.419 . . . . 4.4000000000000004 107.523 -172.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . 0.341 1.3 p-10 -27.64 103.41 0.02 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 114.505 1.298 . . . . 2.7200000000000002 114.505 -167.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -80.79 164.47 22.7 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.377 -1.283 . . . . 3.8799999999999999 108.258 -173.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.44 -0.946 0 CA-C-N 113.297 -1.774 . . . . 6.5599999999999996 109.574 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 m . . . . . 0 CA--C 1.512 -0.505 0 N-CA-C 109.924 -0.398 . . . . 1.8200000000000001 109.924 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -95.2 124.69 39.38 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 106.954 -1.499 . . . . 3.8599999999999999 106.954 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 12.1 m-85 -105.78 140.99 37.97 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 126.44 1.896 . . . . 3.1699999999999999 113.507 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.435 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 9.2 m -115.95 145.19 43.13 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.196 0.998 . . . . 2.75 111.088 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 1.3 m-90 -132.41 164.97 25.35 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.579 1.152 . . . . 1.21 109.52 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.57 110.3 16.28 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 106.68 -1.6 . . . . 3.6499999999999999 106.68 174.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.3 t -108.07 158.44 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.872 -1.159 . . . . 1.71 107.872 -174.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.8 112.46 7.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 105.423 -2.066 . . . . 2.04 105.423 167.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.31 -13.79 3.01 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-O 119.005 -0.886 . . . . 1.46 113.022 173.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -73.12 35.71 0.08 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.549 1.674 . . . . 2.7999999999999998 113.319 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.1 m-20 -99.95 66.8 1.39 Allowed 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 121.499 -0.75 . . . . 5.1900000000000004 109.224 -152.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -158.34 -75.32 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.71 0.633 . . . . 2.5899999999999999 112.71 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 157.51 -65.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 127.503 2.321 . . . . 2.0800000000000001 107.882 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.54 -34.99 62.76 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.936 0.874 . . . . 1.8600000000000001 110.989 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.4 m -71.48 -30.41 65.95 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.587 0.755 . . . . 2.79 109.883 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.82 92.34 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.222 -0.658 . . . . 1.75 109.222 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -59.74 -52.94 63.34 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 119.609 -0.837 . . . . 4.0899999999999999 109.768 170.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -48.83 -39.69 26.45 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.088 -1.007 . . . . 5.0 112.311 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.4 -57.5 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 118.802 0.728 . . . . 1.74 111.87 172.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -63.25 -43.94 96.59 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 108.096 -1.076 . . . . 1.8200000000000001 108.096 -174.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -65.47 -31.97 73.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 121.169 -0.957 . . . . 0.59999999999999998 111.055 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.33 -25.15 32.98 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.678 -0.677 . . . . 1.8100000000000001 111.922 169.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 m -103.29 -39.15 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 118.905 0.775 . . . . 2.96 113.054 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -58.73 -27.28 64.76 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.56 -0.713 . . . . 4.9500000000000002 110.598 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -67.09 -13.03 61.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.618 0.969 . . . . 0.76000000000000001 113.618 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -72.23 -115.74 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.176 0.99 . . . . 1.98 109.6 -176.228 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.1 -48.92 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 124.441 1.096 . . . . 1.5800000000000001 108.565 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.52 -14.71 82.18 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 115.543 -0.753 . . . . 0.44 112.992 -175.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.77 130.23 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.871 0.868 . . . . 1.79 109.902 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -98.57 -55.65 2.68 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.138 0.975 . . . . 2.23 108.839 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -153.72 121.45 5.96 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.928 0.491 . . . . 2.7799999999999998 110.235 -168.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 p -105.66 141.77 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 126.258 1.823 . . . . 2.6000000000000001 110.615 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -131.62 94.06 3.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.476 1.511 . . . . 2.5699999999999998 109.697 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 t -90.99 101.13 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 125.526 1.53 . . . . 3.6400000000000001 108.192 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 tp -97.19 74.81 2.55 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.268 -1.753 . . . . 1.5600000000000001 106.268 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.7 t80 -61.1 102.44 0.21 Allowed 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.68 -1.6 . . . . 4.7400000000000002 106.68 167.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 149.79 -37.35 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.282 2.633 . . . . 3.1200000000000001 109.254 -171.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -118.49 19.25 13.39 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.01 0.524 . . . . 2.29 110.502 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 39.32 36.96 0.23 Allowed 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 127.75 2.42 . . . . 3.46 114.292 177.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.34 128.12 42.47 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.735 -1.209 . . . . 2.6299999999999999 107.735 -177.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.99 141.27 31.96 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.405 -1.702 . . . . 2.9700000000000002 106.405 174.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -122.57 142.87 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 118.578 0.626 . . . . 1.73 111.417 161.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.27 117.16 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 106.94 -1.504 . . . . 1.6299999999999999 106.94 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.57 120.48 38.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 106.974 -1.491 . . . . 2.6600000000000001 106.974 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.72 149.39 37.09 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.587 1.155 . . . . 1.6499999999999999 111.36 -169.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -95.9 58.31 1.9 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.975 0.91 . . . . 2.23 110.149 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 161.45 157.65 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 127.161 2.184 . . . . 1.6699999999999999 107.894 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -78.49 118.76 20.93 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 120.001 1.273 . . . . 3.3900000000000001 108.892 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.18 26.55 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 123.011 0.524 . . . . 1.8899999999999999 109.743 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -62.02 -48.02 82.15 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 121.563 -0.71 . . . . 3.9700000000000002 111.006 -173.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.44 -30.54 60.69 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 123.885 0.74 . . . . 1.97 110.042 174.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -78.83 -40.9 31.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.007 -0.738 . . . . 2.3500000000000001 109.007 -175.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.501 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 78.0 t -64.7 -47.99 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 109.397 -0.594 . . . . 1.9399999999999999 109.397 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -46.0 -62.19 1.43 Allowed 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 118.162 -0.923 . . . . 2.23 109.965 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -48.1 -46.24 33.68 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.652 0.66 . . . . 1.23 110.086 -175.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -49.32 78.21 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.978 0.732 . . . . 1.6799999999999999 112.978 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.3 mt -67.6 -44.66 77.55 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.705 0.802 . . . . 1.9399999999999999 110.246 -176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -49.87 70.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.492 -0.776 . . . . 2.23 109.451 174.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -62.09 -41.55 98.31 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.329 -0.232 . . . . 4.7000000000000002 111.357 176.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.95 76.29 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.628 0.771 . . . . 1.46 110.587 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.31 54.89 0.19 Allowed Glycine 0 C--N 1.336 0.555 0 C-N-CA 124.224 0.916 . . . . 0.56000000000000005 110.931 168.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -136.95 164.01 29.35 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.738 -0.838 . . . . 3.0899999999999999 108.738 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.4 m -109.22 124.83 51.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.496 -1.668 . . . . 2.1699999999999999 106.496 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 pp -135.66 176.96 8.2 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.18 -1.045 . . . . 1.8899999999999999 108.18 168.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -136.15 129.04 31.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.758 -2.312 . . . . 5.3799999999999999 104.758 168.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.84 112.24 0.74 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 123.936 0.894 . . . . 4.1799999999999997 109.106 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -83.95 -174.73 5.45 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.829 -1.078 . . . . 2.5800000000000001 109.492 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 122.041 0.925 . . . . 4.6299999999999999 109.248 171.434 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 121.473 0.654 . . . . 2.5600000000000001 109.269 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -99.37 144.29 28.65 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.942 1.297 . . . . 7.6500000000000004 107.991 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.517 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 29.8 m-85 -132.56 125.47 30.59 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.65 1.18 . . . . 3.4100000000000001 108.75 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.404 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 70.9 m -99.89 156.78 16.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.091 0.956 . . . . 2.6000000000000001 109.289 172.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.517 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 5.6 m-90 -140.04 160.82 39.07 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.535 1.534 . . . . 1.1899999999999999 108.49 167.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -114.7 123.38 49.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 105.954 -1.869 . . . . 3.1299999999999999 105.954 167.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 t -109.04 174.72 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 125.379 1.472 . . . . 1.75 109.562 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.31 109.45 4.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.315 1.046 . . . . 1.9199999999999999 109.152 169.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.3 -37.44 1.39 Allowed Glycine 0 CA--C 1.531 1.052 0 CA-C-N 119.271 0.941 . . . . 0.97999999999999998 113.24 167.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ptm -69.3 86.85 0.42 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.232 1.013 . . . . 3.2200000000000002 111.253 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -136.7 71.79 1.42 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.463 1.028 . . . . 2.7599999999999998 111.781 172.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 m -147.52 -94.99 0.08 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.959 0.904 . . . . 2.3500000000000001 110.754 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.8 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.342 0.264 0 C-N-CA 124.988 1.315 . . . . 2.1400000000000001 109.41 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -27.29 68.03 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.785 -0.572 . . . . 1.8200000000000001 111.669 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -75.48 -38.0 59.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.858 0.863 . . . . 3.8799999999999999 109.19 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.79 84.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.165 -0.68 . . . . 1.72 109.165 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.9 mtt85 -58.37 -51.14 71.07 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 118.999 -1.08 . . . . 3.8399999999999999 111.097 171.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -52.84 -40.06 63.05 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.304 -1.498 . . . . 3.7400000000000002 112.751 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.7 t -57.76 -55.69 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.728 0.811 . . . . 2.0600000000000001 111.34 173.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.44 -45.89 74.71 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.403 -0.962 . . . . 1.8799999999999999 108.403 -174.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -64.24 -31.21 72.32 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.777 -1.202 . . . . 0.60999999999999999 110.558 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.54 -24.27 60.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.272 -0.87 . . . . 1.8700000000000001 112.978 169.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.21 -39.48 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 119.655 1.116 . . . . 2.9900000000000002 111.7 174.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -60.27 -25.49 65.75 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.353 -0.842 . . . . 4.8600000000000003 110.72 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -71.37 -13.58 61.91 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.045 0.938 . . . . 0.68000000000000005 113.286 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -122.04 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.956 -0.757 . . . . 1.7 108.956 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.98 -47.85 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 108.584 -0.895 . . . . 1.6100000000000001 108.584 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.61 -13.92 83.0 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 115.517 -0.765 . . . . 0.40999999999999998 112.836 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.3 t -57.22 136.29 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.567 0.747 . . . . 1.5600000000000001 110.554 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -106.03 -53.28 2.66 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 106.618 -1.623 . . . . 2.4100000000000001 106.618 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.69 170.62 19.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.876 -0.786 . . . . 3.0699999999999998 108.876 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.77 142.91 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 124.596 1.158 . . . . 2.7200000000000002 109.641 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -132.87 94.47 3.39 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.844 1.658 . . . . 2.3199999999999998 108.971 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -91.37 119.75 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 106.497 -1.668 . . . . 3.0 106.497 168.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.9 tp -121.0 114.21 21.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.632 -0.877 . . . . 1.6599999999999999 108.632 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.09 160.39 8.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.188 0.995 . . . . 4.04 111.858 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.61 -45.2 0.61 Allowed 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.744 2.018 . . . . 2.6699999999999999 112.012 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 m -68.51 -27.19 65.9 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.901 -0.777 . . . . 2.5299999999999998 108.901 165.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.93 42.02 31.83 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.494 1.118 . . . . 4.4199999999999999 108.84 -176.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.7 134.03 51.27 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 104.274 -2.491 . . . . 2.4900000000000002 104.274 -174.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.15 135.61 46.18 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 125.184 1.553 . . . . 2.4500000000000002 108.683 164.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -123.68 142.9 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 O-C-N 124.384 1.053 . . . . 1.7 108.742 158.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.4 124.85 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 N-CA-C 105.556 -2.016 . . . . 1.6499999999999999 105.556 175.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.26 121.95 44.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 105.555 -2.017 . . . . 2.3999999999999999 105.555 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.74 139.03 29.23 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.614 0.571 . . . . 1.5700000000000001 111.537 -171.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -80.59 58.51 3.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.835 0.854 . . . . 2.3199999999999998 109.589 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 158.91 154.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 127.486 2.314 . . . . 1.75 109.531 175.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -71.9 117.43 13.49 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.867 1.267 . . . . 4.1399999999999997 109.392 171.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 pp -144.2 24.15 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.938 -0.476 . . . . 1.9399999999999999 110.378 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -60.32 -45.69 92.52 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 121.422 -0.799 . . . . 3.4399999999999999 111.389 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.78 65.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.697 0.623 . . . . 1.3100000000000001 110.074 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -79.28 -38.61 34.97 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.617 -0.512 . . . . 2.2400000000000002 109.617 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.2 -53.69 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 119.171 -1.012 . . . . 1.8100000000000001 108.406 171.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -44.45 -58.16 3.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 118.013 -0.994 . . . . 2.4300000000000002 111.508 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -47.0 -45.83 21.33 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.028 0.831 . . . . 1.5 110.835 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.21 73.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.1 -0.375 . . . . 1.6200000000000001 111.988 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.86 -45.35 94.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.937 1.295 . . . . 3.7000000000000002 110.423 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -53.38 51.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.328 -0.851 . . . . 2.4399999999999999 109.182 174.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -62.12 -41.43 98.24 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.633 0.235 . . . . 4.6600000000000001 111.633 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.93 -30.97 69.41 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 124.46 1.104 . . . . 1.51 110.611 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.28 45.02 0.5 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 111.173 -0.771 . . . . 0.51000000000000001 111.173 164.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -137.29 145.69 43.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.695 -1.224 . . . . 3.5499999999999998 107.695 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 p -87.52 134.39 33.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.097 -1.816 . . . . 1.8500000000000001 106.097 166.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pp -128.86 175.56 8.54 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.076 -0.713 . . . . 1.8400000000000001 109.076 166.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -127.53 131.78 50.02 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 105.37 -2.085 . . . . 3.9900000000000002 105.37 167.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -69.87 135.1 49.18 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.376 -1.342 . . . . 2.3700000000000001 107.376 174.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.32 169.31 9.44 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.292 -1.776 . . . . 3.0 110.41 -175.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.285 0 C-N-CA 124.312 1.045 . . . . 5.0800000000000001 108.718 168.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.446 0.641 . . . . 2.6899999999999999 109.999 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.55 125.7 51.34 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 113.764 -1.562 . . . . 4.6500000000000004 108.104 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.8 m-85 -102.91 133.89 47.25 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 128.191 2.596 . . . . 3.7999999999999998 111.05 171.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.433 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 51.8 p -116.04 154.6 29.61 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.731 0.812 . . . . 2.6800000000000002 111.424 174.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.48 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -140.21 157.88 44.9 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.879 0.871 . . . . 1.1699999999999999 109.577 170.567 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -106.78 119.57 39.68 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 105.715 -1.957 . . . . 2.8399999999999999 105.715 166.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 t -107.57 177.7 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 125.236 1.414 . . . . 1.98 107.827 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.65 117.26 4.68 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.388 -2.078 . . . . 1.79 105.388 163.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.55 -10.68 4.33 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 115.554 0.982 . . . . 1.0 115.554 167.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -75.29 57.95 0.92 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.575 1.687 . . . . 2.9700000000000002 113.208 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 12.7 m-20 -90.47 69.38 6.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.765 -0.585 . . . . 4.6299999999999999 112.447 -171.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.38 142.56 0.34 Allowed 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 121.61 -0.681 . . . . 2.5800000000000001 110.944 166.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.42 -49.43 74.55 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.425 0.631 . . . . 2.52 110.562 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.61 -15.39 51.28 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.806 0.669 . . . . 3.3300000000000001 112.806 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -97.64 -29.56 13.34 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.17 0.988 . . . . 3.5899999999999999 110.778 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.94 -39.99 63.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.308 -0.627 . . . . 1.7 109.308 167.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . 0.255 1.7 mpt_? -57.36 -45.45 84.37 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.058 -1.057 . . . . 4.1799999999999997 112.674 170.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -40.74 73.31 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.084 -1.635 . . . . 5.0800000000000001 111.064 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.1 t -59.15 -57.65 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.359 0.664 . . . . 2.0600000000000001 110.647 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -64.59 -42.79 95.35 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 108.386 -0.968 . . . . 2.0699999999999998 108.386 -173.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -67.47 -35.28 78.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.55 0.74 . . . . 0.65000000000000002 109.666 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.69 -19.29 15.78 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.507 0.558 . . . . 1.6599999999999999 112.507 169.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.6 t -97.73 -43.37 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.348 1.059 . . . . 2.9100000000000001 110.276 172.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 mtm-85 -60.5 -25.01 65.76 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 120.125 -1.61 . . . . 4.0099999999999998 111.702 -176.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.99 -12.57 55.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.938 0.895 . . . . 0.68999999999999995 113.2 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -118.28 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.164 0.986 . . . . 2.0600000000000001 109.074 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.78 -48.58 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 124.388 1.075 . . . . 1.6899999999999999 108.771 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.11 -22.76 78.71 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.354 -0.839 . . . . 0.55000000000000004 112.837 -176.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.4 t -56.09 140.13 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 122.02 -0.694 . . . . 1.72 110.774 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -108.96 -46.13 3.67 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.624 -0.51 . . . . 2.46 109.624 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -160.49 149.26 16.86 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 106.403 -1.703 . . . . 2.73 106.403 -172.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.6 m -142.46 150.61 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 O-C-N 121.422 -0.799 . . . . 3.5499999999999998 109.324 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -142.81 98.16 3.23 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 122.523 1.154 . . . . 2.4900000000000002 110.079 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -91.0 122.46 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 127.286 2.235 . . . . 2.8100000000000001 105.947 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 tp -110.2 77.08 1.02 Allowed 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 106.236 -1.764 . . . . 1.9099999999999999 106.236 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.0 t80 -63.94 89.49 0.05 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.203 -1.406 . . . . 5.0 107.203 168.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.03 -41.86 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 129.179 2.992 . . . . 3.0899999999999999 107.932 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -108.72 16.59 22.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.774 0.829 . . . . 2.52 110.971 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 43.93 38.89 2.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.134 1.774 . . . . 4.1699999999999999 113.06 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.34 127.95 36.62 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.068 -1.086 . . . . 2.7599999999999998 108.068 -171.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.21 140.26 38.62 Favored 'General case' 0 N--CA 1.423 -1.819 0 C-N-CA 124.694 1.198 . . . . 2.2200000000000002 108.77 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.47 140.19 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 O-C-N 124.602 1.188 . . . . 1.79 110.668 167.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.4 t -129.47 130.12 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 C-N-CA 126.079 1.752 . . . . 1.76 106.524 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -109.51 115.13 29.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.584 -1.635 . . . . 2.73 106.584 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -153.1 150.14 28.82 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.587 0.755 . . . . 1.71 109.704 -172.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.99 55.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.79 0.805 . . . . 2.4399999999999999 108.87 -167.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -169.58 -35.08 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.846 1.054 . . . . 2.79 113.846 -177.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 t0 79.85 124.48 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 127.786 2.434 . . . . 3.5099999999999998 109.086 -170.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pp -146.44 34.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 125.2 1.4 . . . . 1.8600000000000001 107.742 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.4 mtm-85 -61.7 -45.54 93.55 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.321 -0.862 . . . . 3.4399999999999999 111.466 -171.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.59 -33.45 68.2 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 123.567 0.542 . . . . 1.6699999999999999 110.175 175.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -46.57 52.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.936 -0.764 . . . . 3.1899999999999999 108.936 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.465 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 55.0 t -64.72 -47.77 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 N-CA-C 108.46 -0.941 . . . . 1.48 108.46 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -46.31 -61.51 1.76 Allowed 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 117.349 -1.31 . . . . 2.3999999999999999 110.004 170.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.5 t -45.97 -46.72 16.5 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.95 1.25 . . . . 1.5800000000000001 110.736 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.45 77.57 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.579 0.585 . . . . 1.6399999999999999 112.579 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.08 -40.56 78.38 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.277 1.031 . . . . 2.1400000000000001 111.677 -176.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -49.86 -51.4 40.57 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.702 1.201 . . . . 2.96 107.843 169.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -64.27 -43.28 95.31 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 122.208 -0.308 . . . . 5.0999999999999996 111.71 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.34 -35.53 62.83 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.797 0.839 . . . . 2.0099999999999998 110.643 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.21 44.59 0.61 Allowed Glycine 0 C--N 1.334 0.433 0 N-CA-C 111.071 -0.812 . . . . 0.85999999999999999 111.071 165.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.67 136.79 44.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.836 -1.172 . . . . 3.8199999999999998 107.836 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.7 m -83.26 118.38 23.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.6 -1.259 . . . . 2.79 107.6 173.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 pp -109.83 175.25 5.51 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.464 0.477 . . . . 1.9199999999999999 111.346 169.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -128.68 135.83 49.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 105.342 -2.096 . . . . 4.4199999999999999 105.342 163.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -72.81 120.24 18.16 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 106.863 -1.532 . . . . 2.9700000000000002 106.863 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -88.8 177.68 6.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 122.326 1.06 . . . . 2.8500000000000001 111.825 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? . . . . . 0 N--CA 1.445 -0.686 0 CA-C-N 113.788 -1.551 . . . . 5.7599999999999998 110.966 165.106 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 121.609 0.718 . . . . 2.7400000000000002 109.848 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -141.3 166.87 23.58 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.0 -1.0 . . . . 4.9900000000000002 110.11 170.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.426 ' HB3' ' CZ2' ' A' ' 8' ' ' TRP . 54.4 m-85 -143.18 152.26 41.58 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 127.001 2.12 . . . . 3.1299999999999999 111.089 -170.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -114.95 161.66 18.0 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.125 1.528 . . . . 3.2200000000000002 115.125 174.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.462 ' CZ2' ' HD2' ' A' ' 53' ' ' ARG . 7.5 m-90 -140.69 151.67 44.72 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.683 1.993 . . . . 2.6099999999999999 109.834 169.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.16 101.26 11.0 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.377 1.471 . . . . 3.3500000000000001 107.877 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -101.1 117.63 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 118.79 0.723 . . . . 1.8500000000000001 109.383 -163.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -103.48 95.61 6.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 107.389 -1.337 . . . . 2.0499999999999998 107.389 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.12 -38.39 0.97 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.843 -0.503 . . . . 0.79000000000000004 111.843 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -69.46 101.89 1.67 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 117.492 0.646 . . . . 3.1099999999999999 111.05 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -152.93 73.02 0.98 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.059 0.944 . . . . 3.1800000000000002 110.301 162.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -171.43 146.18 2.22 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.33 -0.856 . . . . 2.5899999999999999 112.651 172.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.78 65.38 0.71 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.346 1.458 . . . . 2.8999999999999999 112.219 -175.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.81 -52.84 0.01 OUTLIER 'General case' 0 C--O 1.234 0.271 0 C-N-CA 127.463 2.305 . . . . 2.0600000000000001 106.881 -173.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.3 m -63.83 -38.18 90.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.963 -1.125 . . . . 2.46 107.963 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.5 -47.47 57.31 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 123.505 0.503 . . . . 1.8 110.914 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -47.27 66.82 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 119.446 -0.902 . . . . 3.6099999999999999 109.38 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -48.24 -42.41 30.33 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.855 0.752 . . . . 3.7400000000000002 112.034 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.04 -61.58 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 123.659 0.783 . . . . 1.6299999999999999 110.331 174.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.69 -44.79 96.26 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.495 -1.298 . . . . 2.1400000000000001 107.495 -171.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -60.92 -39.4 89.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.183 0.993 . . . . 0.66000000000000003 109.733 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.18 -20.72 43.29 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.907 0.706 . . . . 1.51 112.907 172.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.6 t -95.61 -45.77 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 125.233 1.413 . . . . 2.8599999999999999 108.949 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -61.56 -30.17 70.49 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 119.732 -1.855 . . . . 3.02 111.088 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -60.86 -14.38 21.66 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.5 0.926 . . . . 0.96999999999999997 113.5 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -118.63 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.641 0.655 . . . . 1.8300000000000001 110.11 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.46 -49.29 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 123.911 0.884 . . . . 1.72 109.285 -174.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.84 -15.48 75.17 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 115.801 -0.636 . . . . 0.58999999999999997 112.742 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -51.68 136.04 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.293 0.637 . . . . 1.8200000000000001 109.47 164.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -117.43 -45.99 2.7 Favored 'General case' 0 N--CA 1.458 -0.045 0 C-N-CA 123.179 0.592 . . . . 3.2599999999999998 109.606 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -139.02 162.83 33.96 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.625 1.17 . . . . 2.8100000000000001 107.944 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -154.46 132.23 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 108.36 -0.978 . . . . 2.3700000000000001 108.36 -173.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.64 105.2 8.31 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.989 1.316 . . . . 4.6900000000000004 109.31 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.6 118.57 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 C-N-CA 126.453 1.901 . . . . 2.7799999999999998 106.211 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.9 tp -124.83 110.38 14.22 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.053 -1.091 . . . . 1.6100000000000001 108.053 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.02 162.88 23.54 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.51 0.671 . . . . 4.54 112.339 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 75.97 -41.38 0.43 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.565 2.746 . . . . 2.1699999999999999 110.734 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.8 m -75.27 -17.77 60.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.837 0.855 . . . . 2.0099999999999998 110.588 169.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 49.26 39.04 14.93 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.996 1.318 . . . . 3.6699999999999999 112.723 -177.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -105.9 137.26 44.1 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.018 -1.105 . . . . 2.6099999999999999 108.018 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.8 132.81 43.08 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 104.703 -2.332 . . . . 2.5800000000000001 104.703 160.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 p -131.48 134.2 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 119.412 1.005 . . . . 3.3300000000000001 108.928 154.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 t -129.46 121.87 54.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 107.009 -1.478 . . . . 1.8400000000000001 107.009 -166.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.27 103.45 13.48 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.673 -1.603 . . . . 2.7200000000000002 106.673 -175.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -141.6 130.31 22.83 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.77 0.828 . . . . 1.8500000000000001 109.157 -169.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -86.4 51.54 2.25 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.417 -0.216 . . . . 2.54 110.417 -171.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 168.25 147.17 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.023 -1.103 . . . . 2.75 108.023 -167.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -77.68 113.97 16.07 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.967 -0.753 . . . . 3.7599999999999998 108.967 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -141.22 23.06 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 123.574 0.75 . . . . 1.8999999999999999 110.891 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.462 ' HD2' ' CZ2' ' A' ' 8' ' ' TRP . 13.2 mtm180 -72.34 -27.81 62.65 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 120.964 -1.085 . . . . 4.2300000000000004 110.63 -172.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.9 -37.19 71.07 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.564 -0.854 . . . . 1.8899999999999999 109.244 168.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.9 -47.18 26.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.185 -0.672 . . . . 2.75 109.185 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.55 -50.27 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.991 -0.744 . . . . 1.52 108.991 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . 0.28 31.8 tt0 -60.88 -50.61 72.72 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.783 -1.103 . . . . 3.3300000000000001 109.292 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -47.18 -52.18 16.36 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.454 1.025 . . . . 1.79 111.165 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.75 79.43 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.545 0.738 . . . . 1.4099999999999999 111.818 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.6 mt -64.3 -45.81 86.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.514 1.126 . . . . 2.1000000000000001 109.806 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -50.6 65.21 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.221 -0.659 . . . . 2.1400000000000001 109.221 175.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.88 -48.8 80.16 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.792 -0.186 . . . . 4.29 110.799 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.92 69.9 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 124.358 1.063 . . . . 1.55 111.102 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.1 52.85 0.09 OUTLIER Glycine 0 C--N 1.335 0.51 0 N-CA-C 110.976 -0.85 . . . . 0.94999999999999996 110.976 170.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -132.86 168.69 17.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.735 0.814 . . . . 3.8100000000000001 109.379 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -131.21 128.48 40.02 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.511 -1.292 . . . . 2.2799999999999998 107.511 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.72 174.97 10.74 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.478 1.911 . . . . 3.0699999999999998 107.981 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -148.76 73.75 1.24 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.313 1.045 . . . . 7.9199999999999999 108.714 -172.421 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 31.43 54.43 0.24 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.814 1.783 . . . . 3.73 115.814 159.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -72.03 168.02 18.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 120.735 -1.228 . . . . 3.0600000000000001 110.967 -161.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? . . . . . 0 CA--C 1.538 0.514 0 C-N-CA 124.304 1.041 . . . . 5.0999999999999996 112.973 167.005 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.513 -0.444 0 N-CA-C 108.443 -0.947 . . . . 1.8600000000000001 108.443 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -98.37 141.24 31.49 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 113.615 -1.629 . . . . 4.1100000000000003 108.896 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.504 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 9.5 m-85 -125.13 119.28 28.14 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 127.108 2.163 . . . . 3.6299999999999999 110.065 174.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.418 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 79.7 p -99.62 148.11 24.66 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.98 0.809 . . . . 2.52 110.731 174.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.504 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -136.21 159.16 42.58 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.123 1.369 . . . . 1.1599999999999999 108.532 164.559 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -110.46 110.64 21.46 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.353 -2.091 . . . . 3.6600000000000001 105.353 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.6 t -99.77 170.8 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 119.089 0.858 . . . . 1.6599999999999999 109.284 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.79 113.19 7.28 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.314 -0.995 . . . . 1.78 108.314 169.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.5 -23.78 3.41 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.716 1.627 . . . . 0.95999999999999996 111.891 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -79.35 82.81 5.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 121.517 -0.99 . . . . 3.1000000000000001 110.226 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -146.64 61.2 1.21 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.424 0.63 . . . . 3.6800000000000002 111.447 168.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 m -136.53 -96.66 0.22 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.753 0.821 . . . . 2.3199999999999998 111.435 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.36 -62.23 0.03 OUTLIER 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.028 0.931 . . . . 2.1499999999999999 109.276 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.95 -29.54 70.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.628 0.771 . . . . 2.2000000000000002 111.214 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.8 t -72.36 -45.81 58.21 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.546 -0.909 . . . . 3.4300000000000002 108.546 -175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.86 -45.55 74.58 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.448 -0.342 . . . . 1.6799999999999999 110.606 176.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -63.37 -51.32 66.37 Favored 'General case' 0 N--CA 1.432 -1.368 0 C-N-CA 118.754 -1.178 . . . . 5.5700000000000003 110.0 175.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.94 -46.27 10.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.735 1.152 . . . . 4.1200000000000001 112.121 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.54 -63.39 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-O 119.294 -0.384 . . . . 1.95 110.414 174.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.33 -36.01 76.98 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 118.727 -1.189 . . . . 2.0600000000000001 108.111 -170.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -63.12 -40.1 96.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.443 1.497 . . . . 0.73999999999999999 110.591 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -19.85 27.88 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.899 0.88 . . . . 1.52 112.263 170.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -98.63 -46.64 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 125.056 1.343 . . . . 2.8900000000000001 110.389 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -61.55 -30.91 70.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 120.406 -1.433 . . . . 3.6000000000000001 109.674 -175.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -63.94 -15.35 58.95 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 117.722 -1.132 . . . . 0.59999999999999998 113.57 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -102.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.457 1.026 . . . . 1.6200000000000001 110.014 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 173.68 -50.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.439 1.496 . . . . 1.8600000000000001 108.564 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.71 -24.76 73.75 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.34 -0.846 . . . . 0.67000000000000004 112.741 -171.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -51.41 137.6 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.694 0.798 . . . . 1.5700000000000001 109.889 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -99.92 -51.68 3.64 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.497 -1.297 . . . . 2.21 107.497 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -149.1 163.68 36.88 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.29 -1.004 . . . . 2.8100000000000001 108.29 -170.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -155.44 134.18 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 107.805 -1.183 . . . . 2.6600000000000001 107.805 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -125.82 102.28 7.23 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.268 1.427 . . . . 3.5899999999999999 107.738 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 m -94.51 134.43 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 126.932 2.093 . . . . 2.7000000000000002 105.726 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.7 tp -128.26 118.38 23.19 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.866 0.466 . . . . 1.6399999999999999 109.965 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -60.7 163.77 5.26 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 125.827 1.651 . . . . 3.6099999999999999 112.701 171.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.29 -52.4 0.35 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.488 2.315 . . . . 2.5499999999999998 112.393 -174.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 m -67.56 -27.49 66.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.468 1.107 . . . . 2.3399999999999999 110.552 173.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.61 38.1 29.74 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.944 1.297 . . . . 4.2199999999999998 110.264 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.03 129.32 36.36 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.159 -1.052 . . . . 2.4100000000000001 108.159 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.45 120.09 39.93 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 105.754 -1.943 . . . . 2.8599999999999999 105.754 167.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.8 t -125.93 110.91 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 109.167 -0.679 . . . . 2.2000000000000002 109.167 168.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.0 t -103.21 135.03 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 C-N-CA 123.722 0.809 . . . . 1.75 109.102 173.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.36 111.69 18.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.822 1.249 . . . . 2.25 108.093 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.38 -179.58 5.6 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.328 1.451 . . . . 1.8700000000000001 109.585 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.06 51.56 2.03 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 124.155 0.982 . . . . 2.1600000000000001 109.008 -176.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -175.23 -34.25 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 114.273 1.212 . . . . 2.7999999999999998 114.273 -167.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 73.43 115.1 0.06 Allowed 'General case' 0 C--N 1.34 0.154 0 C-N-CA 126.608 1.963 . . . . 3.6800000000000002 111.627 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -147.02 33.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.147 -1.057 . . . . 1.9199999999999999 108.147 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -61.13 -46.17 91.69 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 121.667 -0.646 . . . . 3.7200000000000002 110.864 -172.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.01 -32.01 69.33 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 123.776 0.673 . . . . 1.3600000000000001 110.649 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.74 -40.91 54.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.611 -0.68 . . . . 2.7200000000000002 109.207 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.474 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 55.9 t -66.56 -50.24 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 N-CA-C 108.379 -0.971 . . . . 1.79 108.379 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -44.05 -63.17 0.92 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.127 -1.416 . . . . 3.27 110.868 168.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 t -48.38 -43.52 33.88 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.44 1.473 . . . . 1.49 110.813 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.84 63.44 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.724 0.638 . . . . 1.49 112.724 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 mt -62.27 -43.6 98.45 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.487 1.115 . . . . 2.1400000000000001 109.939 -178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -56.84 9.29 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.628 1.171 . . . . 2.8900000000000001 108.939 172.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -61.21 -45.62 93.8 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 121.286 -0.166 . . . . 4.7999999999999998 111.122 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.61 -32.64 67.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.032 0.933 . . . . 1.78 110.728 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.69 38.69 0.57 Allowed Glycine 0 CA--C 1.522 0.491 0 C-N-CA 124.321 0.962 . . . . 0.68000000000000005 111.594 164.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -128.18 120.67 27.75 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.739 0.769 . . . . 3.5299999999999998 109.443 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -81.71 114.95 20.71 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.542 -1.281 . . . . 1.99 107.542 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 pp -112.73 -178.13 3.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.168 0.987 . . . . 2.02 110.455 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -134.43 119.02 18.05 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.109 -1.441 . . . . 3.96 107.109 166.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.42 109.62 0.72 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.697 1.599 . . . . 4.2000000000000002 109.193 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.25 177.53 5.82 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 122.262 1.03 . . . . 2.9199999999999999 111.329 -173.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 . . . . . 0 N--CA 1.448 -0.539 0 C-N-CA 125.134 1.374 . . . . 4.6100000000000003 110.993 164.323 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.517 -0.321 0 N-CA-C 108.883 -0.784 . . . . 1.8899999999999999 108.883 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -106.57 135.99 47.14 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 125.189 1.556 . . . . 3.9199999999999999 108.514 172.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 30.3 m-85 -122.55 131.85 54.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.449 1.1 . . . . 3.9399999999999999 112.174 172.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 m -108.03 147.38 31.22 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.212 0.945 . . . . 2.71 110.929 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.481 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 1.2 m-90 -137.51 159.87 40.75 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.883 1.673 . . . . 1.1899999999999999 108.881 168.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -122.44 123.27 40.93 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 126.633 1.973 . . . . 2.9300000000000002 107.558 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.404 ' CG1' ' HE3' ' A' ' 13' ' ' MET . 0.1 OUTLIER -120.09 -176.65 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.723 1.609 . . . . 2.5699999999999998 111.643 -177.04 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -150.5 123.58 8.81 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.151 1.78 . . . . 2.0600000000000001 107.467 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.25 -20.21 4.24 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.685 1.612 . . . . 0.83999999999999997 113.802 171.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.404 ' HE3' ' CG1' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -95.42 82.92 3.74 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 124.172 0.989 . . . . 6.2300000000000004 111.35 -175.794 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -139.12 85.91 2.1 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.071 -0.714 . . . . 3.2000000000000002 109.071 160.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -154.43 -93.92 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.693 -0.63 . . . . 2.6000000000000001 110.484 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.51 -59.36 0.03 OUTLIER 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.85 0.86 . . . . 1.97 108.977 174.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.12 -33.52 67.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.089 0.956 . . . . 1.6899999999999999 111.795 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 m -69.13 -34.06 74.44 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.503 -0.925 . . . . 2.5299999999999998 108.503 -175.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.28 90.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.486 -0.485 . . . . 1.8400000000000001 110.197 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -50.98 70.68 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 118.893 -1.123 . . . . 4.5 110.17 174.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -44.61 -47.0 10.37 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.773 1.17 . . . . 3.8900000000000001 112.021 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.39 -60.85 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 123.571 0.748 . . . . 1.8400000000000001 110.907 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -63.43 -37.24 86.53 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 118.62 -1.232 . . . . 1.98 108.433 -172.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -64.48 -36.56 84.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.74 1.216 . . . . 0.64000000000000001 110.503 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -21.38 24.25 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.878 0.471 . . . . 1.49 112.234 169.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.8 t -103.91 -41.33 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.931 1.292 . . . . 2.98 110.857 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -63.54 -32.63 74.15 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 119.932 -1.73 . . . . 3.3500000000000001 109.566 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -61.71 -13.07 19.69 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.357 1.243 . . . . 0.64000000000000001 114.357 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.61 -110.36 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.544 1.066 . . . . 1.8200000000000001 109.37 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 179.85 -48.97 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 124.457 1.103 . . . . 1.6699999999999999 109.02 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.2 -9.99 85.36 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 115.504 -0.771 . . . . 0.53000000000000003 113.355 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.33 150.65 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.019 0.928 . . . . 1.5600000000000001 109.231 170.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -140.27 -6.24 1.22 Allowed 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 115.059 1.503 . . . . 2.5800000000000001 115.059 166.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -158.24 145.45 17.93 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 105.222 -2.14 . . . . 2.2799999999999998 105.222 -176.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -147.02 128.26 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 124.485 1.114 . . . . 3.98 108.907 -169.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -127.96 92.11 3.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.027 0.931 . . . . 2.3199999999999998 110.153 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.7 t -92.9 101.5 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 126.372 1.869 . . . . 3.2799999999999998 108.208 173.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.8 tp -104.01 110.63 22.87 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.6 -0.889 . . . . 1.8600000000000001 108.6 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.26 165.79 2.5 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.596 0.758 . . . . 3.2799999999999998 111.198 168.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.5 -50.15 0.66 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 126.345 1.858 . . . . 2.23 111.94 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -70.52 -24.89 62.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.256 -0.646 . . . . 2.1400000000000001 109.256 167.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 56.3 37.97 29.33 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.946 1.298 . . . . 4.5499999999999998 108.773 178.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.55 130.35 54.19 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 105.937 -1.875 . . . . 2.5699999999999998 105.937 -166.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.83 136.01 40.39 Favored 'General case' 0 N--CA 1.414 -2.246 0 N-CA-C 108.02 -1.104 . . . . 2.4100000000000001 108.02 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -123.39 147.55 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 O-C-N 124.469 1.106 . . . . 2.02 110.385 154.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.04 125.44 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 105.816 -1.92 . . . . 1.6899999999999999 105.816 172.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -104.54 120.72 41.92 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.471 -1.677 . . . . 2.3300000000000001 106.471 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -152.6 122.41 6.94 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 123.04 0.536 . . . . 1.6599999999999999 111.179 -163.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 57.71 2.65 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.271 -0.64 . . . . 2.3300000000000001 109.271 -169.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -29.9 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.085 1.513 . . . . 3.0699999999999998 115.085 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 91.08 106.75 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.827 2.051 . . . . 5.0099999999999998 110.373 171.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pp -148.14 31.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 123.027 0.531 . . . . 1.77 111.29 -167.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -54.28 -51.21 65.3 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.58 -0.7 . . . . 5.25 110.642 -175.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.74 71.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.668 0.787 . . . . 1.3100000000000001 110.179 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -73.69 -42.1 61.71 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.222 -0.659 . . . . 2.9900000000000002 109.222 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.89 -50.74 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 108.871 -0.789 . . . . 1.5800000000000001 108.871 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -47.06 -60.05 2.72 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 117.822 -1.085 . . . . 2.2400000000000002 110.834 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.7 t -46.73 -48.49 20.38 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.446 1.021 . . . . 1.1499999999999999 110.579 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.76 84.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.444 0.535 . . . . 1.6399999999999999 112.444 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.8 mt -70.6 -40.07 73.42 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.915 0.886 . . . . 2.2799999999999998 111.412 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -49.87 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.184 -0.673 . . . . 2.6000000000000001 109.184 169.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.32 -43.47 98.82 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.381 -0.199 . . . . 4.7699999999999996 111.306 176.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.28 69.06 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.698 0.799 . . . . 1.6399999999999999 110.609 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.47 47.35 0.42 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 123.931 0.777 . . . . 0.81000000000000005 111.501 164.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -138.06 150.17 46.67 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 108.707 -0.849 . . . . 3.3199999999999998 108.707 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 p -98.64 114.48 26.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.962 -1.125 . . . . 2.1099999999999999 107.962 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 pp -106.94 176.55 5.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.091 0.556 . . . . 1.8899999999999999 110.313 166.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -127.67 147.27 50.37 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 103.713 -2.699 . . . . 5.5099999999999998 103.713 157.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -65.74 123.34 19.48 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 107.142 -1.429 . . . . 2.7999999999999998 107.142 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -89.65 -179.82 5.86 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.673 -0.694 . . . . 2.5299999999999998 110.635 176.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.54 0.591 0 C-N-CA 119.502 -0.879 . . . . 5.04 110.939 168.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.551 0.691 . . . . 2.6499999999999999 110.166 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -96.86 140.2 31.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.957 1.303 . . . . 6.5499999999999998 107.532 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.474 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 39.6 m-85 -134.04 123.33 24.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.873 1.269 . . . . 2.98 109.469 176.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.481 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 61.2 p -101.92 152.05 21.39 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 123.772 0.67 . . . . 2.5499999999999998 110.943 176.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.492 ' CZ2' ' CG1' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -133.86 170.02 16.22 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.654 -1.239 . . . . 1.22 107.654 166.133 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mppt? -115.24 120.41 39.62 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 105.031 -2.211 . . . . 2.6099999999999999 105.031 166.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -103.3 166.16 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 118.907 0.776 . . . . 1.76 109.0 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 t -145.05 115.04 7.41 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.997 -1.112 . . . . 1.71 107.997 164.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.42 -44.35 0.88 Allowed Glycine 0 CA--C 1.526 0.728 0 C-N-CA 123.448 0.547 . . . . 0.71999999999999997 112.025 168.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.57 96.34 1.18 Allowed 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.283 -0.54 . . . . 2.8199999999999998 111.162 -177.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -143.04 93.25 2.48 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.377 0.671 . . . . 3.1200000000000001 109.469 166.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.26 -84.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.627 0.771 . . . . 2.3799999999999999 109.936 169.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.93 -57.75 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.34 1.456 . . . . 2.1800000000000002 108.6 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.23 63.77 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.998 -0.546 . . . . 2.0699999999999998 111.615 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 m -72.84 -41.38 64.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.518 -0.919 . . . . 2.5600000000000001 108.518 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.53 91.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.606 -0.437 . . . . 1.6399999999999999 110.454 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -61.8 -53.74 51.86 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 118.533 -1.267 . . . . 5.4000000000000004 110.892 171.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -44.66 -46.75 10.38 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.853 1.206 . . . . 3.5699999999999998 111.731 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.4 t -58.24 -63.07 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 124.757 1.223 . . . . 1.8799999999999999 111.59 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -56.98 -46.9 81.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 105.874 -1.899 . . . . 2.0699999999999998 105.874 -172.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -65.19 -37.33 86.99 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 123.316 0.646 . . . . 0.48999999999999999 109.672 -172.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -21.98 41.49 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.475 0.71 . . . . 1.5800000000000001 112.78 170.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.1 t -91.96 -50.32 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.017 1.327 . . . . 2.71 110.371 172.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -61.23 -26.75 67.96 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 120.147 -1.596 . . . . 3.7400000000000002 111.202 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.37 -14.29 38.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.662 0.986 . . . . 0.78000000000000003 113.662 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -119.71 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.177 0.899 . . . . 1.77 109.401 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.45 -48.84 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.204 0 O-C-N 121.323 -0.861 . . . . 1.6599999999999999 109.247 -176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.02 -21.99 79.44 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.53 -0.759 . . . . 0.59999999999999998 112.011 -177.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.0 t -53.47 128.63 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.998 -0.742 . . . . 1.6499999999999999 108.998 168.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -133.43 -3.32 3.02 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.503 0.927 . . . . 2.5699999999999998 113.503 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.96 160.26 40.98 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 105.615 -1.994 . . . . 2.6000000000000001 105.615 162.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -157.17 136.36 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.999 -1.111 . . . . 2.5600000000000001 107.999 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -124.35 111.12 15.42 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.713 -1.217 . . . . 2.7599999999999998 107.713 170.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -95.4 119.74 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 105.538 -2.023 . . . . 3.3799999999999999 105.538 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 tp -119.42 111.46 18.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.178 -1.045 . . . . 1.48 108.178 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.53 159.17 13.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 124.178 0.924 . . . . 3.2799999999999998 111.74 172.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 75.21 -42.26 0.48 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 128.546 2.739 . . . . 2.3100000000000001 110.796 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.0 m -71.72 -22.41 61.64 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.042 0.937 . . . . 2.2999999999999998 110.141 164.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.59 42.72 19.56 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.842 1.257 . . . . 3.9700000000000002 111.472 -172.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.68 122.57 39.75 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.317 -1.364 . . . . 2.4900000000000002 107.317 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.09 118.84 35.6 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 103.243 -2.873 . . . . 2.8100000000000001 103.243 161.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -121.93 114.0 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.72 0 N-CA-C 108.635 -0.876 . . . . 2.04 108.635 161.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.2 t -102.37 133.9 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.026 -1.101 . . . . 1.78 108.026 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.71 104.84 13.21 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.601 -1.259 . . . . 3.0299999999999998 107.601 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.26 134.57 42.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.097 0.959 . . . . 1.6299999999999999 110.421 -170.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -85.66 57.33 4.41 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 108.482 -0.933 . . . . 1.8500000000000001 108.482 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.24 150.63 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 128.235 2.614 . . . . 1.8200000000000001 108.707 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -74.94 121.67 22.28 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.528 1.058 . . . . 3.25 109.375 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pp -142.72 23.9 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 109.608 -0.516 . . . . 1.71 109.608 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.9 mtm-85 -63.2 -44.04 96.45 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 121.223 -0.923 . . . . 3.8799999999999999 111.524 -172.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.13 65.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.016 0.822 . . . . 1.8400000000000001 109.882 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -78.46 -44.06 25.6 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.536 -0.542 . . . . 2.8599999999999999 109.536 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.492 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 41.4 t -63.86 -46.87 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 119.509 -0.876 . . . . 1.6599999999999999 108.663 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -47.81 -60.42 2.59 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.945 -1.026 . . . . 2.3199999999999998 110.999 170.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.5 t -46.55 -48.65 19.42 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.346 0.975 . . . . 1.25 110.264 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.61 -51.12 71.18 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.373 0.508 . . . . 1.6000000000000001 112.373 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.1 mt -65.93 -42.02 90.63 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.552 1.141 . . . . 2.1299999999999999 111.508 -176.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -49.01 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.636 -0.876 . . . . 2.2000000000000002 108.636 174.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -62.64 -42.68 99.73 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 121.477 -0.089 . . . . 5.4299999999999997 110.994 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.1 77.05 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.963 0.905 . . . . 1.6399999999999999 110.305 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.35 45.69 0.29 Allowed Glycine 0 CA--C 1.523 0.572 0 C-N-CA 124.171 0.891 . . . . 0.52000000000000002 111.665 166.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -127.66 133.82 49.63 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 108.367 -0.975 . . . . 3.1499999999999999 108.367 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.2 p -82.54 123.5 29.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.976 -1.861 . . . . 2.7999999999999998 105.976 172.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 pp -125.98 176.87 6.69 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 123.879 0.737 . . . . 1.8500000000000001 109.445 169.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mtp-105 -128.31 140.94 51.6 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.614 -2.365 . . . . 6.1500000000000004 104.614 156.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.27 141.48 58.6 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 106.567 -1.642 . . . . 3.0099999999999998 106.567 171.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.97 177.62 4.8 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 113.41 -1.723 . . . . 2.96 111.402 172.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 CA--C 1.538 0.486 0 CA-C-N 114.511 -1.222 . . . . 4.4299999999999997 111.77 172.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 107.397 -1.334 . . . . 1.5700000000000001 107.397 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -99.21 123.9 43.85 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.841 -1.072 . . . . 4.3099999999999996 108.691 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.544 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.0 m-85 -108.83 133.35 52.99 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.62 1.568 . . . . 3.0 111.785 174.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.5 t -106.39 153.13 22.68 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.548 0.739 . . . . 2.75 110.105 172.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.544 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -139.03 159.09 42.97 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.888 1.275 . . . . 1.0900000000000001 109.239 164.682 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -105.91 123.97 48.83 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 105.441 -2.059 . . . . 2.6699999999999999 105.441 168.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -105.03 166.83 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 124.419 1.087 . . . . 1.75 109.803 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -136.39 117.99 14.92 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.158 1.383 . . . . 1.5900000000000001 107.701 164.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.42 -30.04 3.21 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 126.23 1.871 . . . . 0.97999999999999998 111.639 176.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 33.3 ttp -77.06 75.73 3.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 121.646 -0.914 . . . . 3.2200000000000002 110.933 -173.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.62 59.96 1.33 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.951 0.882 . . . . 3.5299999999999998 111.119 167.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.83 145.09 18.24 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.288 -0.634 . . . . 2.3999999999999999 109.288 170.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 64.75 0.64 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 122.477 1.132 . . . . 2.8599999999999999 113.509 -171.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.0 -48.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.661 1.985 . . . . 2.3900000000000001 108.191 -171.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.2 m -68.91 -36.08 77.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.377 -0.971 . . . . 2.3599999999999999 108.377 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.41 -50.51 65.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 119.495 -0.288 . . . . 1.55 110.886 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -50.76 72.78 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.631 -0.828 . . . . 4.4299999999999997 110.329 176.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -49.0 -46.16 43.47 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.645 -0.659 . . . . 3.8100000000000001 111.832 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.3 t -58.59 -59.01 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 123.407 0.683 . . . . 1.52 111.089 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.8 -45.54 92.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.915 -1.142 . . . . 2.1200000000000001 107.915 -170.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -59.9 -41.35 91.46 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 121.568 -0.708 . . . . 0.48999999999999999 109.729 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -19.33 22.23 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 113.09 0.774 . . . . 1.5600000000000001 113.09 174.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.2 m -100.9 -38.97 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 119.396 0.998 . . . . 3.0299999999999998 112.738 172.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -59.71 -31.46 69.62 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.569 -0.707 . . . . 4.6900000000000004 109.202 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -64.87 -14.92 61.11 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.468 0.914 . . . . 1.9399999999999999 113.468 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.49 -112.57 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.653 0.66 . . . . 1.6599999999999999 109.795 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.99 -49.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.917 0.887 . . . . 1.5800000000000001 108.621 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.0 -9.04 87.49 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 115.297 -0.865 . . . . 0.48999999999999999 113.31 -173.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.1 t -72.94 129.77 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 124.046 0.938 . . . . 1.6899999999999999 109.422 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -98.9 -63.71 1.1 Allowed 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.678 -0.86 . . . . 2.1200000000000001 108.678 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -137.65 104.46 5.33 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.976 0.911 . . . . 2.4700000000000002 108.55 -161.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 p -93.12 137.36 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.858 0.863 . . . . 2.5099999999999998 110.395 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -123.07 90.38 3.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.326 1.45 . . . . 2.29 109.725 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -89.3 117.65 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 105.453 -2.054 . . . . 2.7200000000000002 105.453 166.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.0 tp -120.23 113.84 21.01 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 106.913 -1.514 . . . . 1.8999999999999999 106.913 174.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -61.14 167.04 3.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.624 0.77 . . . . 3.7999999999999998 111.373 172.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.98 -47.02 0.57 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.67 2.388 . . . . 2.0299999999999998 112.703 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m -69.15 -26.07 64.69 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.562 0.745 . . . . 2.23 108.991 170.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 55.52 35.02 24.28 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.177 1.391 . . . . 4.3399999999999999 110.278 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.09 138.57 51.53 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.564 -1.273 . . . . 4.1600000000000001 107.564 -176.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.64 139.02 36.92 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 107.115 -1.439 . . . . 2.2000000000000002 107.115 177.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -124.79 147.51 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 O-C-N 123.711 0.632 . . . . 1.9099999999999999 110.094 159.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.0 t -137.38 121.43 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 125.439 1.496 . . . . 1.6299999999999999 107.537 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.68 123.97 39.49 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 106.702 -1.592 . . . . 4.0300000000000002 106.702 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.65 135.29 18.5 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.105 0.562 . . . . 1.6000000000000001 110.419 -173.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.68 57.91 4.62 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.24 -0.652 . . . . 2.1099999999999999 109.24 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 169.91 161.7 0.06 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.763 2.025 . . . . 1.6799999999999999 109.232 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -82.4 112.6 19.5 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.299 0.639 . . . . 3.9900000000000002 110.154 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 pp -134.22 18.56 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 124.24 1.016 . . . . 2.04 111.354 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -61.47 -47.63 84.81 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.726 -1.234 . . . . 4.9100000000000001 110.982 -169.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.43 -31.18 67.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 123.929 0.768 . . . . 1.6200000000000001 110.356 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -76.05 -44.97 36.64 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.506 -0.553 . . . . 2.9700000000000002 109.506 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.511 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 33.0 t -63.36 -49.63 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 108.506 -0.924 . . . . 1.6299999999999999 108.506 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -49.92 -59.92 3.41 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.88 -1.057 . . . . 2.4199999999999999 110.625 174.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 t -47.76 -45.79 29.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.437 1.017 . . . . 1.24 110.518 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.19 -50.8 70.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.559 0.743 . . . . 1.6399999999999999 112.628 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.9 mt -68.1 -42.32 80.5 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.425 1.09 . . . . 1.97 110.516 -177.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -53.98 45.49 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.598 -0.728 . . . . 2.5899999999999999 109.603 173.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -65.27 -36.14 83.18 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.622 -0.831 . . . . 5.7000000000000002 111.663 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.03 72.18 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.032 -0.418 . . . . 1.6299999999999999 110.655 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.62 44.17 0.56 Allowed Glycine 0 CA--C 1.523 0.549 0 C-N-CA 124.284 0.945 . . . . 0.68999999999999995 111.61 167.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -131.77 130.2 41.55 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 108.775 -0.824 . . . . 3.4100000000000001 108.775 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -86.24 110.35 19.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.296 -1.372 . . . . 2.5600000000000001 107.296 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 pp -97.95 177.87 5.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.696 0.623 . . . . 2.3500000000000001 111.031 170.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -130.01 139.63 51.0 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.924 -1.88 . . . . 4.4299999999999997 105.924 159.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -74.66 112.32 10.74 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.903 -1.147 . . . . 3.1200000000000001 107.903 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.71 -178.77 5.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.816 -0.753 . . . . 2.4100000000000001 110.694 176.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 C--N 1.322 -0.592 0 C-N-CA 123.863 0.865 . . . . 4.3600000000000003 110.232 173.418 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.515 -0.395 0 N-CA-C 107.669 -1.234 . . . . 2.4199999999999999 107.669 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -98.59 138.31 35.96 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.703 -1.589 . . . . 6.1500000000000004 108.759 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.535 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.1 m-85 -118.63 135.17 54.6 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.731 2.012 . . . . 3.46 110.678 172.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t -110.21 153.0 25.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.174 0.99 . . . . 2.7200000000000002 109.813 174.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.535 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 5.7 m-90 -138.25 156.54 47.57 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 124.418 1.087 . . . . 1.1100000000000001 109.109 168.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -111.73 109.53 19.43 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 106.271 -1.751 . . . . 2.6099999999999999 106.271 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.7 t -100.91 178.37 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.102 0.961 . . . . 1.6899999999999999 110.268 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -153.43 106.93 2.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.016 1.326 . . . . 2.25 108.536 173.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.14 -34.65 1.82 Allowed Glycine 0 CA--C 1.529 0.924 0 C-N-CA 125.081 1.324 . . . . 0.97999999999999998 112.34 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -73.78 99.49 3.19 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.977 -0.719 . . . . 3.1200000000000001 110.668 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -151.87 77.37 1.22 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.257 0.623 . . . . 3.27 110.07 170.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -155.55 -93.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.042 0.937 . . . . 2.4399999999999999 110.385 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.11 -56.95 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.083 1.353 . . . . 2.23 108.738 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.31 -34.78 58.81 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.561 -0.745 . . . . 2.04 111.108 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.1 m -72.61 -43.56 63.14 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.258 -1.015 . . . . 2.6600000000000001 108.258 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.67 77.69 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.869 -0.419 . . . . 1.8799999999999999 109.869 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -63.57 -53.51 50.67 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.183 -1.007 . . . . 4.2599999999999998 109.84 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -48.62 -40.58 28.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.2 -0.938 . . . . 5.0599999999999996 111.948 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.5 -62.06 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 123.376 0.67 . . . . 1.8500000000000001 110.553 171.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.38 -43.54 92.88 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 107.83 -1.174 . . . . 1.8500000000000001 107.83 -169.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -59.88 -41.22 91.07 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.802 1.241 . . . . 0.58999999999999997 109.754 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.92 -22.47 59.76 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.046 0.758 . . . . 2.1099999999999999 113.046 171.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.9 t -91.14 -39.38 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.889 1.276 . . . . 2.8300000000000001 110.924 172.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -66.24 -34.77 78.76 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 119.704 -1.872 . . . . 3.3900000000000001 109.676 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -60.85 -14.78 24.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.563 1.32 . . . . 0.81999999999999995 114.563 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.86 -104.06 0.0 OUTLIER 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.65 1.114 . . . . 1.78 110.925 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 174.88 -52.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.631 1.172 . . . . 1.8200000000000001 108.824 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.63 -18.49 78.65 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 115.172 -0.922 . . . . 0.44 112.813 -173.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.47 132.2 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 124.675 1.19 . . . . 1.6499999999999999 109.693 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -99.0 -62.75 1.19 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.173 -1.047 . . . . 2.0899999999999999 108.173 173.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -140.51 105.57 4.99 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.197 0.999 . . . . 2.5600000000000001 108.553 -163.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -101.15 134.11 42.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 123.977 0.911 . . . . 2.6000000000000001 109.213 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -134.92 104.09 5.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 122.668 1.223 . . . . 2.4199999999999999 109.078 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -95.17 127.63 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 127.828 2.451 . . . . 2.79 105.985 177.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.2 tp -125.88 123.04 37.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.161 -1.052 . . . . 1.55 108.161 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -71.51 170.03 14.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.553 0.741 . . . . 3.2400000000000002 112.526 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 69.72 -48.25 0.61 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.457 2.303 . . . . 2.27 112.635 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -67.94 -25.68 65.58 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.843 0.857 . . . . 2.1200000000000001 109.458 169.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 55.1 33.7 20.98 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.616 1.566 . . . . 4.25 111.063 179.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.14 137.2 47.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.935 -1.135 . . . . 2.4700000000000002 107.935 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.42 142.28 33.04 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.088 -1.449 . . . . 2.0 107.088 177.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.23 139.77 49.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 118.75 0.704 . . . . 1.8 111.858 165.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -133.9 123.92 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 C-N-CA 125.202 1.401 . . . . 1.49 108.187 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -96.52 124.11 40.4 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.228 -1.397 . . . . 4.2000000000000002 107.228 167.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.2 134.99 18.8 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.448 0.467 . . . . 1.6200000000000001 111.065 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.9 56.94 3.26 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.427 0.691 . . . . 2.3300000000000001 109.689 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 172.2 170.21 0.11 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.855 1.662 . . . . 1.71 109.193 175.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -80.86 110.77 16.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.58 1.952 . . . . 4.6600000000000001 109.695 171.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -138.84 19.31 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 O-C-N 121.687 -0.633 . . . . 1.8200000000000001 111.229 174.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -64.71 -47.11 79.54 Favored 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 120.701 -1.249 . . . . 3.46 110.924 -169.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.0 -31.03 69.54 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.781 -0.645 . . . . 1.3600000000000001 109.823 173.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -44.38 71.56 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.118 -0.697 . . . . 2.6800000000000002 109.118 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.515 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 44.9 t -66.55 -55.54 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 107.769 -1.197 . . . . 1.6699999999999999 107.769 -179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -43.75 -58.57 2.64 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 117.43 -1.272 . . . . 2.4100000000000001 109.79 175.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.5 t -45.26 -41.9 9.02 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.728 1.149 . . . . 1.6000000000000001 111.358 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.29 -45.63 72.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.194 0.598 . . . . 1.6200000000000001 110.791 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mp -68.4 -39.76 81.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.634 -0.666 . . . . 3.27 111.615 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.98 -54.52 46.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.358 -1.349 . . . . 3.0699999999999998 107.358 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -32.57 70.94 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 111.849 0.314 . . . . 5.46 111.849 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.55 83.55 Favored 'General case' 0 C--N 1.34 0.186 0 O-C-N 121.671 -0.643 . . . . 1.6899999999999999 111.161 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.75 47.03 0.54 Allowed Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.744 1.164 . . . . 0.68999999999999995 111.836 173.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -131.03 122.64 27.13 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 108.28 -1.008 . . . . 3.1299999999999999 108.28 173.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -83.74 121.8 27.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.238 -1.023 . . . . 2.71 108.238 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 pp -123.77 177.06 5.9 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.767 0.827 . . . . 1.9099999999999999 111.56 173.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -129.21 122.09 28.99 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 105.497 -2.038 . . . . 5.1699999999999999 105.497 169.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.39 124.17 19.85 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.555 -1.276 . . . . 4.1100000000000003 107.555 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -177.52 3.54 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 122.981 1.372 . . . . 2.77 109.483 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 113.723 -1.58 . . . . 4.3200000000000003 109.827 177.394 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.515 -0.38 0 N-CA-C 107.596 -1.261 . . . . 1.97 107.596 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -99.76 144.57 28.68 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 107.781 -1.192 . . . . 3.8900000000000001 107.781 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.526 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 15.1 m-85 -130.88 132.89 45.43 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.192 1.797 . . . . 3.04 109.749 170.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.1 p -108.99 154.64 21.89 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 118.822 0.737 . . . . 2.3999999999999999 110.892 173.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.526 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -141.11 159.9 41.24 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.603 0.761 . . . . 1.1000000000000001 109.841 169.377 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -111.51 96.2 5.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.846 1.659 . . . . 3.02 107.754 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.48 142.45 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 124.483 1.113 . . . . 1.8400000000000001 109.763 -173.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 t -135.63 70.12 1.43 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.068 0.947 . . . . 1.8 108.839 -162.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.57 -38.96 0.03 OUTLIER Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.952 -0.642 . . . . 1.0700000000000001 112.007 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.56 111.98 4.46 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 118.655 -1.218 . . . . 3.0899999999999999 110.959 175.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -145.37 72.86 1.33 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.132 0.973 . . . . 3.46 111.547 172.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.9 t -165.72 -63.03 0.03 OUTLIER 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.8 -0.562 . . . . 2.8900000000000001 111.624 169.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 150.08 -53.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 127.972 2.509 . . . . 2.7599999999999998 108.992 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.04 -38.73 65.5 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.276 0.56 . . . . 2.71 110.889 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -67.16 -33.6 75.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.284 1.033 . . . . 4.0099999999999998 109.763 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.16 90.07 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.36 -0.608 . . . . 1.9299999999999999 109.36 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -62.22 -46.82 87.18 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 119.716 -0.794 . . . . 3.4300000000000002 110.147 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -49.71 -41.43 43.42 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.132 -0.98 . . . . 4.7400000000000002 111.788 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.6 -60.49 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.939 0.896 . . . . 1.74 109.694 174.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -60.88 -45.93 92.62 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.956 -1.127 . . . . 1.99 107.956 -172.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -58.16 -40.61 81.86 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.25 1.02 . . . . 0.58999999999999997 109.434 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 -21.96 62.35 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.012 0.745 . . . . 1.6699999999999999 113.012 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -92.47 -41.47 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.677 1.191 . . . . 2.9300000000000002 110.662 173.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -62.13 -34.88 77.19 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 120.321 -1.487 . . . . 3.3700000000000001 110.056 -174.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -58.81 -13.94 7.49 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.753 1.39 . . . . 0.62 114.753 176.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.41 -112.31 0.0 OUTLIER 'General case' 0 C--N 1.343 0.317 0 CA-C-N 119.987 1.267 . . . . 2.2599999999999998 111.243 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.67 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.743 0.817 . . . . 1.6699999999999999 109.462 -173.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.27 -12.43 84.59 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-N 115.705 -0.68 . . . . 0.46000000000000002 113.034 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.8 t -64.05 139.09 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 C-N-CA 124.511 1.124 . . . . 1.6100000000000001 108.929 173.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -108.93 -45.23 3.83 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.581 -0.896 . . . . 2.3700000000000001 108.581 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -161.19 154.58 21.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.467 -1.309 . . . . 2.6200000000000001 107.467 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.62 157.14 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 124.627 1.171 . . . . 3.4399999999999999 110.536 -174.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.85 101.63 4.97 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.075 1.35 . . . . 4.1299999999999999 110.867 170.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 m -95.54 76.36 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 127.909 2.484 . . . . 2.6800000000000002 109.823 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.3 tp -93.66 90.58 6.67 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 105.479 -2.045 . . . . 2.3900000000000001 105.479 -174.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -61.44 166.37 4.06 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 113.664 -1.607 . . . . 4.3300000000000001 109.693 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.59 -49.76 0.7 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.132 1.373 . . . . 4.0899999999999999 111.421 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 m -70.0 -3.52 16.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.825 0.85 . . . . 2.77 111.521 170.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 64.9 29.08 12.58 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.044 0.937 . . . . 6.1799999999999997 110.795 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.56 121.57 17.8 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 121.24 -0.912 . . . . 3.0099999999999998 112.425 -169.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.06 141.27 32.03 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 106.999 -1.482 . . . . 3.29 106.999 171.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -127.52 145.99 34.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 123.544 0.528 . . . . 2.1000000000000001 111.368 156.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.3 t -132.52 129.17 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 125.794 1.638 . . . . 1.73 107.806 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.88 119.37 38.32 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.773 1.629 . . . . 2.23 108.764 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.68 144.13 24.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.029 1.332 . . . . 1.74 111.927 -163.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.95 56.74 1.73 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.039 0.936 . . . . 2.5499999999999998 109.546 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 171.67 172.3 0.09 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.62 1.968 . . . . 1.6899999999999999 107.45 173.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -86.12 123.68 31.69 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 118.948 0.794 . . . . 3.2000000000000002 109.03 165.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -133.93 23.22 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.343 1.057 . . . . 2.0099999999999998 110.057 166.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.0 mtp-105 -65.49 -50.13 66.47 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 120.108 -1.62 . . . . 4.5199999999999996 111.662 -168.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.14 -24.29 62.89 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.437 -0.801 . . . . 1.4199999999999999 109.531 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -48.22 33.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.215 -1.031 . . . . 2.6499999999999999 108.215 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.478 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 43.1 t -64.11 -47.68 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 115.359 -0.837 . . . . 1.6599999999999999 108.863 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -48.72 -61.33 2.09 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 117.508 -1.234 . . . . 2.9300000000000002 111.474 171.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 t -50.48 -44.67 55.86 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.742 1.156 . . . . 1.4099999999999999 110.232 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.75 72.65 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.719 0.637 . . . . 1.4399999999999999 112.719 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.1 mt -66.03 -44.95 83.18 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.559 0.744 . . . . 2.0899999999999999 109.995 -176.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.45 -52.15 55.58 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.34 -0.845 . . . . 3.5299999999999998 109.347 173.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -62.39 -40.21 95.73 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.139 -0.35 . . . . 5.6600000000000001 111.524 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.17 73.82 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.484 0.714 . . . . 1.6899999999999999 110.333 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.62 54.93 0.22 Allowed Glycine 0 C--N 1.334 0.435 0 N-CA-C 110.254 -1.139 . . . . 0.56000000000000005 110.254 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -132.44 175.36 9.36 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.92 -1.511 . . . . 3.1200000000000001 106.92 171.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 p -121.55 121.12 36.73 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.285 -2.487 . . . . 2.4300000000000002 104.285 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 pp -113.72 176.4 5.05 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.834 0.349 . . . . 2.1099999999999999 110.858 170.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -132.39 128.99 38.76 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.404 -2.073 . . . . 4.5099999999999998 105.404 165.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.78 104.92 0.32 Allowed 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.95 1.3 . . . . 3.3700000000000001 109.004 176.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.45 168.2 15.72 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.598 0.713 . . . . 3.0 111.669 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.3 pm0 . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 125.832 1.653 . . . . 4.5 112.049 167.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 122.1 0.953 . . . . 2.5499999999999998 111.425 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -98.41 138.16 36.05 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.786 -2.006 . . . . 6.5199999999999996 108.102 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.5 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 21.8 m-85 -117.75 132.3 56.48 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 128.129 2.571 . . . . 3.23 110.487 166.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.2 t -113.52 150.37 33.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.101 1.36 . . . . 2.5499999999999998 109.358 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.5 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -141.43 155.89 45.83 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 123.996 0.919 . . . . 1.1499999999999999 111.447 169.178 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -111.18 101.1 9.64 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.914 1.685 . . . . 2.9700000000000002 106.993 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -106.28 167.24 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 119.545 1.066 . . . . 2.27 110.619 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -139.66 102.72 4.51 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 107.814 -1.18 . . . . 1.98 107.814 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.93 -21.75 1.27 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 122.986 0.327 . . . . 0.92000000000000004 113.215 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 mtm -64.81 108.89 1.88 Allowed 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.936 -0.743 . . . . 4.3899999999999997 112.328 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.1 p-10 -142.16 -9.77 0.87 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.447 1.277 . . . . 4.8499999999999996 114.447 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 m -122.77 141.65 51.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.663 1.12 . . . . 2.9399999999999999 112.178 -161.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.26 -51.72 10.48 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.308 0.855 . . . . 2.5899999999999999 113.308 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.35 75.18 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.384 0.674 . . . . 2.1699999999999999 111.721 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -70.42 -40.63 73.72 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.628 -0.878 . . . . 2.46 108.628 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.78 74.44 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.874 -0.417 . . . . 1.95 109.874 175.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -63.3 -52.27 62.64 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 118.599 -1.24 . . . . 4.9199999999999999 110.874 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -48.63 -41.56 31.51 Favored 'General case' 0 C--O 1.223 -0.312 0 O-C-N 121.197 -0.939 . . . . 5.9699999999999998 111.649 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.09 -59.48 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.339 1.056 . . . . 1.78 112.33 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.6 -44.78 95.88 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 106.835 -1.542 . . . . 1.8799999999999999 106.835 -173.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -66.87 -32.09 73.13 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.075 -1.016 . . . . 0.71999999999999997 111.065 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.76 -26.25 44.9 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-O 118.613 -0.708 . . . . 1.6000000000000001 111.655 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 m -98.06 -43.98 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 118.931 0.787 . . . . 3.3300000000000001 112.507 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -61.37 -25.7 67.34 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.47 -0.769 . . . . 3.1899999999999999 110.894 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -67.72 -13.85 62.46 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 112.787 0.662 . . . . 0.62 112.787 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -112.41 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.883 0.873 . . . . 2.1099999999999999 109.081 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.22 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.966 1.306 . . . . 1.6200000000000001 108.514 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.51 -19.44 79.86 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 115.491 -0.777 . . . . 0.40000000000000002 113.249 -173.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.79 131.35 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.457 0.703 . . . . 1.77 109.648 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -99.38 -51.03 3.91 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.383 -1.34 . . . . 2.0699999999999998 107.383 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -147.21 155.25 41.93 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.197 -1.409 . . . . 2.7200000000000002 107.197 -171.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.64 141.1 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.759 1.224 . . . . 2.6000000000000001 109.285 -171.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -124.19 91.86 3.54 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.077 1.351 . . . . 2.3799999999999999 108.932 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.4 101.33 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.824 1.25 . . . . 3.25 107.875 172.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -104.16 108.46 19.84 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.682 -0.858 . . . . 1.9399999999999999 108.682 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -63.09 168.27 4.26 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-O 121.361 0.601 . . . . 3.4399999999999999 111.243 168.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.85 -47.67 0.65 Allowed 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 126.33 1.852 . . . . 2.1299999999999999 111.803 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.36 4.14 21.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.247 1.019 . . . . 1.9399999999999999 112.276 172.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 35.67 33.64 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.177 2.591 . . . . 4.6299999999999999 115.142 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.67 130.03 56.1 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.903 -0.777 . . . . 2.6099999999999999 108.903 -171.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.49 139.2 34.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.175 -1.787 . . . . 2.0299999999999998 106.175 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.9 t -126.29 144.08 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 O-C-N 123.669 0.605 . . . . 2.0600000000000001 109.845 160.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 67.0 t -132.9 125.03 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 106.133 -1.803 . . . . 1.6299999999999999 106.133 176.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -110.78 99.43 8.36 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 106.554 -1.647 . . . . 2.7400000000000002 106.554 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.02 143.07 49.8 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.028 1.331 . . . . 1.5600000000000001 110.024 -168.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.71 58.91 0.85 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.595 -0.52 . . . . 2.02 109.595 -174.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.15 -32.31 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.704 1.372 . . . . 2.75 114.704 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.5 t0 78.64 127.05 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 127.628 2.371 . . . . 3.1200000000000001 110.111 -166.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -149.19 32.06 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 C-N-CA 125.666 1.586 . . . . 1.7 108.12 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 mtm-85 -60.49 -49.12 78.81 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 121.194 -0.941 . . . . 3.7799999999999998 111.949 -166.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.05 -31.78 63.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 123.896 0.748 . . . . 1.45 110.702 174.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -77.57 -45.0 26.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.445 -0.784 . . . . 2.6400000000000001 109.53 -173.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 24.6 t -65.33 -46.75 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 109.159 -0.682 . . . . 1.8100000000000001 109.159 175.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -50.55 -55.05 17.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.184 -0.912 . . . . 3.2400000000000002 110.354 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.1 t -49.86 -48.14 51.42 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.579 0.627 . . . . 1.29 110.392 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.23 -49.17 78.88 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.471 0.545 . . . . 1.6499999999999999 112.471 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.03 -42.51 94.29 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.593 -0.692 . . . . 2.0099999999999998 110.121 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -52.25 66.1 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.99 -0.744 . . . . 2.1600000000000001 108.99 175.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -56.19 -41.99 76.4 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.667 0.27 . . . . 4.6299999999999999 111.077 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.53 -17.52 62.88 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 125.117 1.367 . . . . 1.6000000000000001 112.941 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.79 46.79 1.01 Allowed Glycine 0 C--N 1.339 0.715 0 C-N-CA 125.056 1.313 . . . . 0.51000000000000001 112.342 166.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -134.05 155.91 49.17 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.021 0.91 . . . . 3.3399999999999999 110.137 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.1 m -104.05 118.81 37.56 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.574 -1.639 . . . . 2.0800000000000001 106.574 168.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 pp -113.83 174.23 6.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.246 1.018 . . . . 2.27 109.367 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -133.65 137.47 45.39 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 105.282 -2.118 . . . . 4.3399999999999999 105.282 166.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -68.84 120.69 15.16 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 107.908 -1.145 . . . . 3.2599999999999998 107.908 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.01 178.67 5.68 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.015 -1.448 . . . . 2.8100000000000001 109.649 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.613 0.72 . . . . 4.7400000000000002 110.423 164.346 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 CA--C 1.512 -0.501 0 N-CA-C 108.971 -0.751 . . . . 2.1000000000000001 108.971 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -96.64 113.62 25.2 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 125.041 1.463 . . . . 4.2300000000000004 107.916 -174.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.534 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 18.2 m-85 -100.23 124.04 45.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 118.594 -0.717 . . . . 3.1099999999999999 112.544 171.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.43 145.52 27.32 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 124.227 0.955 . . . . 2.4199999999999999 109.392 177.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.534 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 1.2 m-90 -131.25 157.33 43.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.656 0.662 . . . . 1.1599999999999999 110.213 163.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -103.49 101.03 10.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.273 -1.751 . . . . 4.5300000000000002 106.273 171.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -96.02 -179.64 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 119.335 0.97 . . . . 2.2599999999999998 109.072 -174.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 p -157.2 118.84 3.73 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.94 -0.475 . . . . 3.9700000000000002 110.303 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.89 -22.91 5.08 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.344 1.449 . . . . 0.71999999999999997 112.05 168.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.37 87.37 7.21 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 117.491 0.645 . . . . 2.75 109.479 -177.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -140.66 80.58 1.76 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.9 0.381 . . . . 2.9399999999999999 110.033 168.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.97 -88.34 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.577 0.751 . . . . 2.52 109.95 174.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.96 -60.2 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.43 1.092 . . . . 2.1000000000000001 109.556 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.85 -32.78 61.02 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.917 -0.489 . . . . 1.8300000000000001 111.252 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.7 m -74.38 -33.82 63.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.317 -0.623 . . . . 3.1299999999999999 109.317 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.74 90.54 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.685 -0.857 . . . . 1.6799999999999999 108.685 173.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -59.95 -52.05 67.08 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 118.884 -1.127 . . . . 3.3300000000000001 111.106 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -42.95 61.12 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.444 -0.902 . . . . 3.8700000000000001 111.392 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.4 t -56.04 -62.85 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.31 0.644 . . . . 1.8600000000000001 111.789 173.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -59.3 -44.45 92.51 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 107.567 -1.271 . . . . 1.97 107.567 -170.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -64.88 -34.25 77.94 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.941 0.896 . . . . 0.47999999999999998 110.682 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.33 -21.71 50.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.264 -0.874 . . . . 1.4199999999999999 112.041 171.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 m -102.48 -39.97 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 119.297 0.953 . . . . 3.25 112.932 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.35 -25.35 65.78 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.365 -0.834 . . . . 3.3500000000000001 110.926 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -69.82 -12.98 62.04 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.243 0.831 . . . . 0.63 113.243 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -119.08 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.538 1.135 . . . . 2.0800000000000001 108.778 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.51 -46.32 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.177 0 O-C-N 121.244 -0.91 . . . . 1.53 108.879 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.42 -20.44 71.93 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 115.758 -0.656 . . . . 0.45000000000000001 112.846 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.91 139.14 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.644 0.778 . . . . 1.7 109.156 173.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -130.5 -47.86 1.07 Allowed 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.84 -0.6 . . . . 2.7999999999999998 112.005 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.87 104.81 8.03 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.03 0.832 . . . . 2.5 109.444 -173.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.45 138.22 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 121.408 -0.807 . . . . 2.7000000000000002 110.931 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -122.46 93.87 4.11 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.824 2.449 . . . . 2.27 107.243 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.3 m -91.86 110.87 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.558 -1.645 . . . . 2.8300000000000001 106.558 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 tp -120.16 112.57 19.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.467 -0.938 . . . . 1.97 108.467 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -63.2 165.7 7.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.757 0.823 . . . . 3.3900000000000001 111.388 168.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.17 -50.33 0.7 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.961 2.104 . . . . 2.29 111.832 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -64.63 -22.7 67.04 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.889 -0.782 . . . . 2.4100000000000001 108.889 161.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 58.63 41.11 22.67 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.122 1.369 . . . . 4.5999999999999996 108.779 174.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.23 135.82 51.16 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.571 0.7 . . . . 4.1500000000000004 112.332 -167.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.56 119.56 38.95 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 126.984 2.113 . . . . 2.79 106.145 -176.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.9 t -122.1 102.39 11.73 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.562 0 O-C-N 124.055 0.847 . . . . 1.99 110.182 173.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.4 t -104.38 113.6 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.408 -0.96 . . . . 1.7 108.408 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -97.16 113.54 25.13 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 105.804 -1.925 . . . . 2.4900000000000002 105.804 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -138.0 142.53 40.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.453 1.101 . . . . 1.53 110.01 -168.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.48 58.83 2.84 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.534 -0.543 . . . . 1.97 109.534 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 166.49 158.76 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 128.07 2.548 . . . . 1.75 107.528 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -76.32 126.17 30.5 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 108.347 -0.983 . . . . 3.1400000000000001 108.347 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 pp -139.54 21.98 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 123.276 0.631 . . . . 1.8899999999999999 109.965 173.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -63.62 -48.43 77.35 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 120.767 -1.208 . . . . 4.2800000000000002 111.933 -165.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.87 -34.18 62.7 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.749 0.656 . . . . 1.3899999999999999 110.008 172.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -75.66 -39.52 57.5 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.36 -0.607 . . . . 2.75 109.36 -173.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.494 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 47.1 t -66.51 -54.62 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.075 0 N-CA-C 107.719 -1.215 . . . . 1.72 107.719 174.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -42.9 -56.55 3.22 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.605 0.762 . . . . 2.4399999999999999 111.761 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.0 t -47.45 -43.6 24.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.072 0.463 . . . . 1.3500000000000001 111.099 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.05 -48.93 72.05 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 122.849 0.46 . . . . 1.5600000000000001 110.129 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -68.17 -39.67 82.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.913 0.485 . . . . 3.3900000000000001 111.425 -175.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -50.13 68.56 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.423 -0.954 . . . . 2.3500000000000001 108.423 173.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -67.57 -36.93 81.88 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.173 0.434 . . . . 5.1600000000000001 112.173 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.08 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.956 0.902 . . . . 1.74 110.134 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.22 41.45 0.4 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 124.724 1.154 . . . . 0.76000000000000001 111.781 168.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -128.96 126.52 39.78 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 118.02 0.91 . . . . 3.5899999999999999 109.558 177.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 m -83.65 117.75 23.39 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.713 -1.217 . . . . 2.0800000000000001 107.713 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 pp -127.1 171.25 11.55 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.39 1.076 . . . . 1.95 109.862 173.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -139.09 125.84 20.81 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.82 -2.659 . . . . 5.2400000000000002 103.82 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -41.89 109.65 0.14 Allowed 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.56 1.544 . . . . 3.5299999999999998 110.465 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.36 158.59 16.09 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.857 0.837 . . . . 3.3999999999999999 109.576 -174.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 122.22 1.01 . . . . 5.1399999999999997 112.659 -179.222 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.448 -0.567 0 N-CA-C 106.989 -1.486 . . . . 2.1600000000000001 106.989 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -101.2 114.29 28.12 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 113.676 -1.602 . . . . 4.1600000000000001 108.126 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.609 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 9.9 m-85 -95.69 121.15 37.09 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 124.518 1.127 . . . . 3.4700000000000002 110.58 176.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.3 m -98.5 152.45 19.53 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 123.79 0.681 . . . . 2.3999999999999999 110.002 174.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.609 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -144.19 169.03 18.66 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.14 0.576 . . . . 1.25 111.175 159.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 126.05 51.74 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.243 1.817 . . . . 3.3599999999999999 106.177 170.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 t -119.51 88.48 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 119.235 0.925 . . . . 2.4300000000000002 110.599 -169.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 t -82.1 81.56 7.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.326 -0.99 . . . . 2.0099999999999998 108.326 -163.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.85 -23.44 0.91 Allowed Glycine 0 CA--C 1.528 0.852 0 CA-C-N 115.159 -0.928 . . . . 0.87 111.665 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.9 ttp -73.25 76.73 1.32 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.386 1.093 . . . . 2.96 111.384 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -141.19 58.05 1.53 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.723 0.773 . . . . 3.04 111.422 171.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -146.0 141.32 27.58 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.595 -0.691 . . . . 2.6299999999999999 109.464 168.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.45 69.28 0.15 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.949 1.7 . . . . 2.8799999999999999 111.303 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 171.95 -43.96 0.01 OUTLIER 'General case' 0 C--O 1.236 0.363 0 C-N-CA 127.024 2.13 . . . . 2.2599999999999998 108.959 -168.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.19 -48.53 56.77 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.681 -1.229 . . . . 2.2999999999999998 107.681 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.53 -47.72 57.48 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.282 0.364 . . . . 1.76 111.032 177.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.3 mtt-85 -59.99 -48.06 83.27 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 120.366 -0.534 . . . . 4.5700000000000003 110.245 175.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -46.11 63.68 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.184 -0.948 . . . . 4.7699999999999996 110.1 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -58.96 -61.87 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 122.586 0.354 . . . . 2.02 111.011 174.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.35 -44.75 92.63 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 106.516 -1.661 . . . . 2.2000000000000002 106.516 -166.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -65.8 -39.24 90.74 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 121.239 -0.913 . . . . 1.1699999999999999 110.204 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.6 -19.37 48.46 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.962 0.727 . . . . 2.0 112.962 169.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.2 t -88.25 -47.57 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 124.095 0.958 . . . . 2.7000000000000002 109.439 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.6 mtm105 -64.17 -29.98 71.07 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 120.067 -1.646 . . . . 4.3899999999999997 111.276 -173.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -60.23 -16.83 37.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 117.989 -1.005 . . . . 0.93000000000000005 113.477 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.0 mt -63.88 -104.97 0.0 OUTLIER 'General case' 0 C--N 1.344 0.344 0 CA-C-N 119.086 0.857 . . . . 1.6299999999999999 110.769 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 175.49 -50.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.554 1.141 . . . . 1.52 109.146 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.15 -13.32 81.13 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 115.532 -0.758 . . . . 0.48999999999999999 112.606 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.8 t -58.52 144.24 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 123.62 0.768 . . . . 1.74 109.087 168.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -120.2 -47.84 2.35 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 119.169 -0.444 . . . . 2.8399999999999999 109.961 164.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -130.63 159.3 37.6 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.567 0.699 . . . . 2.54 109.451 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -156.33 137.74 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 107.303 -1.369 . . . . 2.4100000000000001 107.303 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -136.54 98.54 3.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.564 -1.273 . . . . 2.5099999999999998 107.564 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.4 m -93.92 131.52 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 C-N-CA 126.709 2.004 . . . . 2.5600000000000001 105.664 175.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -132.51 116.14 16.37 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.928 -0.767 . . . . 1.72 108.928 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -63.57 161.18 15.13 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 124.436 1.094 . . . . 4.4299999999999997 111.838 172.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.08 -38.43 0.42 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 129.326 3.05 . . . . 2.2000000000000002 111.095 175.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.1 m -75.82 -17.88 59.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.989 1.316 . . . . 2.25 109.901 164.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 45.92 43.56 10.39 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.228 1.411 . . . . 3.8100000000000001 110.76 -171.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.02 129.65 45.31 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.411 -0.959 . . . . 2.4199999999999999 108.411 -175.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.33 128.5 44.78 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 105.074 -2.195 . . . . 2.7599999999999998 105.074 160.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 t -127.76 126.8 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 O-C-N 124.24 0.963 . . . . 1.95 109.402 155.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.8 t -115.55 133.2 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 124.855 1.262 . . . . 1.76 110.045 171.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -114.29 106.75 14.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.096 1.758 . . . . 2.9399999999999999 106.374 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -138.96 121.48 16.18 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.494 1.118 . . . . 1.73 110.703 -170.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.51 59.94 5.75 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 124.918 1.287 . . . . 2.0099999999999998 110.125 -174.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -174.3 -35.74 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.269 1.428 . . . . 2.7599999999999998 111.468 175.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.7 t0 80.0 136.59 0.06 Allowed 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 128.964 2.906 . . . . 3.73 111.618 -171.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -156.73 26.3 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 128.333 2.653 . . . . 1.8899999999999999 110.145 -169.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -54.83 -49.55 70.76 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 121.266 1.848 . . . . 4.4000000000000004 112.631 -173.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.36 -31.12 68.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 123.406 0.441 . . . . 1.4099999999999999 110.523 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -51.3 37.29 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.673 -0.492 . . . . 3.0 109.673 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.483 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 45.3 t -65.45 -48.28 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 108.158 -1.053 . . . . 1.72 108.158 -177.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -50.78 -60.83 2.65 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 117.177 -1.392 . . . . 2.79 110.814 174.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -48.54 -47.2 39.43 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 120.501 1.5 . . . . 1.49 110.855 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.52 -51.75 68.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.709 0.404 . . . . 1.54 111.744 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.89 -46.58 87.17 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.218 1.007 . . . . 2.5299999999999998 110.565 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.45 -52.78 34.94 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.11 0.964 . . . . 3.4500000000000002 108.689 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -63.8 -42.45 97.72 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 121.108 -0.237 . . . . 5.2000000000000002 111.527 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -40.04 81.21 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 123.826 0.85 . . . . 1.75 110.685 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.98 57.7 0.15 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.677 -0.969 . . . . 0.92000000000000004 110.677 172.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -128.88 177.6 6.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.0 0.92 . . . . 3.3300000000000001 108.565 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 p -136.07 125.97 25.84 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.469 -1.308 . . . . 2.6899999999999999 107.469 172.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.06 168.32 20.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.411 1.084 . . . . 2.9199999999999999 110.133 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.27 121.27 16.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.254 -3.239 . . . . 5.9199999999999999 102.254 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -61.52 100.45 0.14 Allowed 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 122.955 1.36 . . . . 2.73 111.965 -167.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -81.05 163.18 23.4 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 113.961 -1.472 . . . . 3.3900000000000001 110.379 -166.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 . . . . . 0 N--CA 1.447 -0.618 0 CA-C-N 115.214 -0.903 . . . . 6.8700000000000001 110.615 177.011 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.167 0 N-CA-C 108.829 -0.804 . . . . 2.1200000000000001 108.829 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.8 138.33 47.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.027 1.331 . . . . 4.6699999999999999 109.017 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.457 ' CB ' ' CH2' ' A' ' 8' ' ' TRP . 9.9 m-85 -139.33 148.39 42.85 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 117.59 -1.195 . . . . 3.0800000000000001 112.464 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -122.81 154.91 37.59 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.896 1.225 . . . . 3.1800000000000002 113.506 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.462 ' CE3' HG13 ' A' ' 56' ' ' VAL . 10.2 m-90 -134.7 152.01 51.44 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 127.034 2.134 . . . . 3.0600000000000001 108.389 170.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -103.95 82.92 2.04 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.092 1.357 . . . . 3.4399999999999999 108.326 -171.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.39 90.65 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-O 121.835 0.826 . . . . 2.4399999999999999 110.29 -155.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.54 95.44 9.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 106.712 -1.588 . . . . 1.74 106.712 -174.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.3 -27.22 0.88 Allowed Glycine 0 CA--C 1.526 0.739 0 CA-C-N 114.409 -1.269 . . . . 1.0800000000000001 110.031 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 ttp -69.88 85.82 0.51 Allowed 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 122.124 -0.633 . . . . 3.1600000000000001 110.016 173.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.437 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 60.7 t0 -130.56 77.73 1.8 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.975 0.51 . . . . 3.3999999999999999 110.432 167.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.64 140.6 0.1 Allowed 'General case' 0 C--N 1.34 0.155 0 C-N-CA 125.123 1.369 . . . . 2.8500000000000001 108.382 171.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.74 94.45 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.409 1.004 . . . . 2.2200000000000002 112.028 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.92 -32.2 71.7 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.746 -0.596 . . . . 2.1499999999999999 111.28 174.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.3 m -83.12 -32.42 26.71 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.392 1.077 . . . . 2.6299999999999999 109.094 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.66 -43.43 72.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.877 -0.515 . . . . 1.8500000000000001 109.847 168.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -55.74 -45.49 78.02 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 121.061 -1.024 . . . . 4.75 111.818 172.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -35.4 22.22 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.571 -1.331 . . . . 4.46 112.369 175.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.01 -55.41 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 119.592 1.087 . . . . 1.6100000000000001 112.101 175.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.09 -41.81 97.34 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 106.977 -1.49 . . . . 1.99 106.977 -176.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -67.62 -35.54 79.12 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.601 -1.312 . . . . 0.52000000000000002 109.515 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.96 -30.11 58.27 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-O 118.312 -0.851 . . . . 2.0899999999999999 112.42 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.426 HG11 ' CG2' ' A' ' 56' ' ' VAL . 16.1 m -93.2 -38.89 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 119.648 1.113 . . . . 3.3399999999999999 112.457 174.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -61.21 -31.07 70.84 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.201 -0.937 . . . . 3.4399999999999999 109.764 -174.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -67.68 -14.03 62.6 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.998 1.11 . . . . 0.73999999999999999 113.998 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.15 -113.66 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.284 0.947 . . . . 1.76 109.435 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.99 -48.46 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 124.701 1.201 . . . . 1.7 108.55 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.78 -5.33 86.54 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 115.859 -0.609 . . . . 0.57999999999999996 113.588 -172.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.21 132.19 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.858 0.863 . . . . 1.5 108.697 173.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -99.14 -53.71 3.17 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.237 -1.023 . . . . 1.95 108.237 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -154.05 141.65 19.87 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.088 -1.449 . . . . 2.7999999999999998 107.088 -168.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -131.99 135.16 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.364 1.466 . . . . 2.7999999999999998 108.025 -172.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -114.99 86.79 2.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.898 1.279 . . . . 2.3399999999999999 107.799 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.4 93.19 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 125.133 1.373 . . . . 3.21 107.634 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.19 74.41 3.4 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 105.744 -1.947 . . . . 1.74 105.744 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 3.8 t80 -63.56 85.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 114.297 -1.32 . . . . 4.9199999999999999 108.294 169.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.14 -41.6 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 129.294 3.038 . . . . 3.3500000000000001 107.65 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -110.28 23.31 14.45 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.659 0.784 . . . . 2.25 112.081 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 40.02 45.67 1.66 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.783 1.633 . . . . 4.5599999999999996 110.731 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.91 133.08 37.3 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 103.138 -2.912 . . . . 2.6400000000000001 103.138 -169.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.28 144.44 26.46 Favored 'General case' 0 N--CA 1.414 -2.236 0 O-C-N 125.103 1.502 . . . . 2.75 108.392 156.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 t -122.84 146.77 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 108.37 -0.974 . . . . 1.8100000000000001 108.37 148.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -135.47 107.0 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 127.59 2.356 . . . . 2.2799999999999998 105.425 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.8 108.14 20.36 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.026 -1.101 . . . . 2.27 108.026 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.73 150.64 43.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.212 1.005 . . . . 1.76 111.036 -167.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.38 59.26 1.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.008 1.323 . . . . 2.0099999999999998 108.814 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.41 166.85 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.309 2.243 . . . . 1.78 109.859 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -91.8 81.87 5.21 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.563 2.345 . . . . 4.5700000000000003 110.913 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -106.77 16.8 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.185 0.994 . . . . 1.9099999999999999 112.437 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.442 ' HD2' ' CD1' ' A' ' 6' ' ' TYR . 5.4 mtp-105 -70.34 -44.4 68.25 Favored 'General case' 0 CA--C 1.507 -0.675 0 O-C-N 120.629 -1.294 . . . . 4.54 111.037 -160.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.32 67.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.745 -0.465 . . . . 1.46 109.745 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -41.08 73.79 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 120.95 -1.094 . . . . 2.52 108.231 174.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.462 HG13 ' CE3' ' A' ' 8' ' ' TRP . 1.2 t -57.5 -56.2 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 108.786 -0.82 . . . . 2.8999999999999999 108.786 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -48.85 80.04 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.803 -1.184 . . . . 3.2599999999999998 107.803 -167.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.7 t -51.32 -49.23 61.76 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.464 0.478 . . . . 1.5900000000000001 110.248 176.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.74 -52.92 63.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.155 0.582 . . . . 1.6299999999999999 112.144 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -44.35 97.15 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.502 0.667 . . . . 2.1499999999999999 110.191 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.06 -49.41 77.45 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.049 -0.723 . . . . 2.27 109.049 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.62 -43.75 97.14 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 123.244 0.34 . . . . 7.4400000000000004 111.187 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.52 -40.44 65.45 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.786 0.834 . . . . 1.5900000000000001 110.716 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.91 55.68 0.11 Allowed Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.718 -0.953 . . . . 0.48999999999999999 110.718 167.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -131.12 168.65 17.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.325 0.65 . . . . 3.1600000000000001 110.285 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.2 p -117.64 135.79 53.75 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 105.926 -1.879 . . . . 2.7799999999999998 105.926 168.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 pp -141.15 165.42 27.57 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.441 -1.689 . . . . 2.3799999999999999 106.441 176.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -135.63 126.78 28.07 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 104.413 -2.439 . . . . 5.9400000000000004 104.413 165.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.79 107.7 0.08 Allowed 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.225 1.41 . . . . 3.1800000000000002 111.964 177.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.9 171.78 8.56 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 107.203 -1.406 . . . . 2.2999999999999998 107.203 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 122.217 1.008 . . . . 4.6600000000000001 110.536 -167.401 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.9 m . . . . . 0 CA--C 1.511 -0.537 0 CA-C-O 121.961 0.886 . . . . 2.27 111.766 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -96.08 127.02 41.71 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 112.866 -1.97 . . . . 3.8900000000000001 107.377 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.541 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 7.5 m-85 -105.41 123.55 48.06 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 127.422 2.289 . . . . 3.7999999999999998 111.963 170.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 m -100.53 150.36 22.76 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 118.62 0.645 . . . . 2.6200000000000001 109.57 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.541 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -136.56 161.34 36.16 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.497 1.519 . . . . 1.1799999999999999 109.051 165.476 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -111.4 110.03 20.29 Favored 'General case' 0 C--N 1.338 0.078 0 N-CA-C 106.132 -1.803 . . . . 2.9399999999999999 106.132 174.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.5 t -98.8 174.41 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.417 -0.957 . . . . 1.7 108.417 -177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.8 111.04 4.88 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.251 -0.905 . . . . 1.6000000000000001 108.894 169.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.94 -24.17 4.31 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.901 0.762 . . . . 1.1299999999999999 112.599 172.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.2 tmm? -69.12 85.79 0.37 Allowed 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.82 -0.812 . . . . 2.9700000000000002 109.718 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -147.52 65.35 1.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.05 0.453 . . . . 3.27 111.713 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 m -141.59 -91.71 0.14 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.015 0.526 . . . . 2.3100000000000001 111.845 172.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.33 -66.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.865 0.866 . . . . 2.2000000000000002 109.026 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.51 62.56 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.841 0.456 . . . . 2.25 110.893 176.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -69.17 -40.2 78.27 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.902 -0.777 . . . . 3.1899999999999999 108.902 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.49 96.66 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 118.073 0.397 . . . . 1.6399999999999999 110.17 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -61.41 -53.38 57.37 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 118.443 -1.303 . . . . 3.6000000000000001 110.817 172.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -48.86 -39.48 25.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 121.07 -1.018 . . . . 4.7000000000000002 111.777 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.61 -63.11 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 118.597 0.635 . . . . 1.53 112.51 170.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.02 -41.15 87.04 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 107.376 -1.342 . . . . 1.77 107.376 -170.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -66.07 -32.91 74.66 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.403 1.081 . . . . 0.60999999999999999 110.944 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.61 -21.4 26.65 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 118.42 -0.8 . . . . 1.72 111.865 168.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 m -103.82 -42.26 7.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.259 0 CA-C-N 118.983 0.81 . . . . 3.1899999999999999 113.021 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -60.83 -24.98 66.29 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.261 -0.899 . . . . 3.3100000000000001 110.94 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -69.34 -14.21 62.8 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 118.663 -0.684 . . . . 0.66000000000000003 112.687 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -112.49 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.094 0.958 . . . . 1.98 109.481 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.09 -47.76 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 125.007 1.323 . . . . 1.77 108.647 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.84 -20.37 65.72 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.739 -0.664 . . . . 0.48999999999999999 113.399 -172.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.86 134.15 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 123.532 0.733 . . . . 1.7 109.259 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -103.16 -57.71 2.0 Allowed 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 107.492 -1.299 . . . . 2.1600000000000001 107.492 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -132.61 161.59 33.48 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 106.732 -1.581 . . . . 2.5099999999999998 106.732 -172.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -156.85 141.6 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 107.625 -1.25 . . . . 2.4900000000000002 107.625 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -135.78 104.03 5.61 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 107.759 -1.2 . . . . 2.48 107.759 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.37 123.2 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 127.193 2.197 . . . . 2.73 105.611 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.9 tp -118.73 116.91 27.54 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.025 -0.732 . . . . 1.96 109.025 -175.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -64.81 165.27 10.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.029 0.932 . . . . 4.2400000000000002 112.09 171.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.23 -49.22 0.64 Allowed 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 126.548 1.939 . . . . 2.4199999999999999 111.755 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -84.89 9.15 15.13 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.3 1.44 . . . . 2.0 112.047 177.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 32.72 42.28 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.382 2.273 . . . . 4.5199999999999996 114.159 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.66 132.7 50.59 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.384 -0.598 . . . . 2.4199999999999999 109.384 -169.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.83 122.78 45.85 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 106.132 -1.803 . . . . 2.8100000000000001 106.132 168.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.4 t -125.95 119.69 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 124.153 0.908 . . . . 1.71 109.228 163.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.9 t -116.61 131.31 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 124.556 1.142 . . . . 1.78 109.413 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.14 99.59 7.34 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 125.456 1.503 . . . . 3.1400000000000001 107.832 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.34 175.92 6.43 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.039 0.936 . . . . 1.6799999999999999 110.401 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.97 53.38 1.71 Allowed 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.272 1.029 . . . . 1.76 109.713 -175.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -177.29 -41.92 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.501 -0.749 . . . . 2.9199999999999999 112.926 -169.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.254 9.3 t0 81.59 121.46 0.05 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 127.856 2.462 . . . . 3.3599999999999999 110.795 -172.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pp -149.27 31.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 C-N-CA 125.58 1.552 . . . . 1.8999999999999999 107.247 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.0 mtm-85 -61.96 -47.75 83.44 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 121.36 -0.837 . . . . 3.6000000000000001 111.288 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.99 59.49 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.543 0.527 . . . . 1.6000000000000001 110.868 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -76.27 -44.14 38.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.083 -0.71 . . . . 2.6299999999999999 109.083 -175.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.479 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 52.4 t -65.15 -48.19 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 107.993 -1.114 . . . . 1.55 107.993 178.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -47.1 -60.22 2.61 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.102 -0.952 . . . . 2.2999999999999998 111.02 171.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 t -47.94 -45.76 31.42 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.276 0.944 . . . . 1.46 110.355 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 -54.49 44.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.279 0.474 . . . . 1.6699999999999999 112.279 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 mt -60.03 -45.2 93.59 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.786 0.835 . . . . 1.99 111.154 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.24 -51.41 68.22 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.848 -0.797 . . . . 2.3199999999999998 108.848 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -66.82 -37.38 84.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.996 -0.282 . . . . 4.8399999999999999 111.512 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.03 79.6 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 124.06 0.944 . . . . 1.6499999999999999 110.37 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.4 43.39 0.29 Allowed Glycine 0 C--N 1.336 0.534 0 C-N-CA 124.08 0.848 . . . . 0.54000000000000004 111.547 167.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -130.93 125.67 34.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.732 -0.84 . . . . 3.1899999999999999 108.732 175.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -80.56 119.47 23.26 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 106.349 -1.722 . . . . 2.0899999999999999 106.349 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 pp -119.38 -179.16 3.78 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.447 0.699 . . . . 1.8600000000000001 109.456 170.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -134.79 140.45 45.9 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 104.129 -2.545 . . . . 6.5899999999999999 104.129 165.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.96 128.68 38.1 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.204 -1.776 . . . . 3.4199999999999999 106.204 168.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.56 176.5 5.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 124.435 1.084 . . . . 2.71 109.787 168.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 121.523 0.678 . . . . 4.5 109.969 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 110.613 -0.143 . . . . 1.8100000000000001 110.613 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -96.34 119.23 34.45 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 124.744 1.277 . . . . 3.77 108.967 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.611 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 22.0 m-85 -107.31 132.02 53.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 117.614 -1.184 . . . . 3.4700000000000002 113.298 170.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.0 t -109.18 151.37 26.56 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 124.556 1.142 . . . . 2.7799999999999998 110.697 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.611 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 1.3 m-90 -143.93 169.57 17.55 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.292 1.437 . . . . 1.1599999999999999 112.093 169.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -117.61 96.94 5.61 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.999 1.719 . . . . 2.6699999999999999 108.26 -173.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.08 114.96 38.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 123.314 0.646 . . . . 1.8799999999999999 109.698 -166.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -114.37 77.53 1.07 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.304 -0.628 . . . . 1.8100000000000001 109.304 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.3 -35.74 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.377 -0.689 . . . . 1.0 111.377 -176.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -67.04 95.1 0.37 Allowed 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 122.144 -0.621 . . . . 3.23 110.411 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.48 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 31.8 t0 -140.93 85.35 1.98 Allowed 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 123.448 0.467 . . . . 3.75 110.037 170.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.64 140.78 0.06 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.16 1.384 . . . . 2.4700000000000002 108.918 167.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 61.61 0.66 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.855 1.262 . . . . 2.73 110.946 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.57 -51.33 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 127.263 2.225 . . . . 2.1600000000000001 107.495 -172.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 m -68.6 -30.37 69.09 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.692 -0.855 . . . . 3.1800000000000002 108.692 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.09 -56.46 7.74 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.817 0.447 . . . . 2.0299999999999998 110.927 166.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -56.26 -42.86 78.08 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 121.706 -0.622 . . . . 5.2199999999999998 110.734 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.53 -37.3 3.44 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.139 0.427 . . . . 3.7999999999999998 111.458 178.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.8 t -66.51 -57.87 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 118.589 0.631 . . . . 1.96 112.158 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.63 -40.53 75.55 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 106.888 -1.523 . . . . 2.0099999999999998 106.888 -174.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -69.44 -36.63 76.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.388 -0.82 . . . . 0.53000000000000003 110.658 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.31 -21.46 35.13 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.398 1.079 . . . . 1.7 112.238 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.7 m -107.14 -36.54 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 119.07 0.85 . . . . 3.27 113.05 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -57.25 -27.46 62.09 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.046 0.938 . . . . 3.1200000000000001 109.972 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -72.56 -14.74 61.7 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.615 0.969 . . . . 0.68999999999999995 113.615 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -111.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.928 0.891 . . . . 1.76 110.251 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.15 -52.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.752 1.221 . . . . 1.55 108.207 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.69 -24.13 70.82 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-N 115.339 -0.846 . . . . 0.62 112.591 -173.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -55.41 121.78 3.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 124.537 1.135 . . . . 1.79 110.051 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -98.05 -52.78 3.58 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.694 -0.854 . . . . 2.0800000000000001 108.694 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -152.31 117.52 5.23 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.549 -0.908 . . . . 2.8799999999999999 108.549 -167.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -112.65 135.93 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.327 1.451 . . . . 2.5099999999999998 108.257 -177.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -118.7 109.01 15.6 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.713 -1.218 . . . . 2.8599999999999999 107.713 170.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 m -94.57 103.97 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 106.696 -1.594 . . . . 2.75 106.696 171.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.6 tp -98.12 80.9 2.74 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 105.419 -2.067 . . . . 1.71 105.419 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.6 t80 -62.99 82.78 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 113.949 -1.478 . . . . 4.8899999999999997 108.276 172.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.0 -42.37 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 127.37 2.268 . . . . 2.6800000000000002 109.448 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -106.87 31.79 5.05 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.919 0.888 . . . . 2.0899999999999999 110.154 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 37.71 28.68 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.068 2.547 . . . . 5.3700000000000001 114.195 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.5 129.39 55.56 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.165 -1.42 . . . . 2.4199999999999999 107.165 -164.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.3 125.16 50.66 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 116.574 -1.679 . . . . 2.4399999999999999 106.865 165.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.6 t -127.13 136.48 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 O-C-N 124.299 0.999 . . . . 1.8700000000000001 111.267 165.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.2 t -133.61 113.67 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 106.6 -1.63 . . . . 1.6899999999999999 106.6 -176.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.69 112.67 24.46 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.821 -1.548 . . . . 2.5800000000000001 106.821 174.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.07 143.26 44.54 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.692 1.197 . . . . 1.55 111.54 -168.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -83.92 58.96 4.97 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.322 1.049 . . . . 2.5099999999999998 109.71 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.02 158.49 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.063 2.145 . . . . 1.76 108.639 173.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.18 122.1 23.84 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.333 -0.547 . . . . 3.21 109.754 169.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.42 31.77 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.622 -0.881 . . . . 1.77 108.622 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 38.9 mtm-85 -64.74 -49.11 72.08 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 121.479 -0.763 . . . . 3.8700000000000001 110.256 -171.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.07 -30.59 62.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 123.698 0.623 . . . . 1.6299999999999999 110.41 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -50.76 26.66 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.63 -0.508 . . . . 3.2000000000000002 109.63 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.511 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 65.4 t -61.8 -49.09 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 107.797 -1.186 . . . . 1.72 107.797 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -50.16 -57.26 8.12 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 117.618 -1.182 . . . . 2.7400000000000002 110.935 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -52.75 -44.24 66.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.531 1.514 . . . . 1.5600000000000001 110.706 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.12 -50.08 74.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.642 0.377 . . . . 1.4199999999999999 111.395 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.37 -41.61 93.6 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.687 0.795 . . . . 2.1400000000000001 110.844 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -51.04 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.621 0.768 . . . . 2.4300000000000002 109.191 174.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -60.79 -47.32 86.87 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.494 0.183 . . . . 7.3200000000000003 111.494 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.2 67.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.819 0.847 . . . . 1.51 111.058 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.46 50.81 0.17 Allowed Glycine 0 CA--C 1.523 0.576 0 C-N-CA 124.468 1.033 . . . . 0.71999999999999997 111.274 169.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -131.11 148.17 52.7 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 117.514 0.657 . . . . 3.3300000000000001 110.848 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 p -104.21 132.09 50.82 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.239 1.415 . . . . 2.5899999999999999 107.742 173.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.96 165.34 36.75 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.25 2.22 . . . . 2.7599999999999998 107.255 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -142.07 72.03 1.37 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 118.138 -0.934 . . . . 4.7300000000000004 109.663 -169.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t0 9.91 74.21 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.253 2.221 . . . . 3.1899999999999999 114.399 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -77.25 156.72 31.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.97 0.891 . . . . 3.0499999999999998 109.178 -170.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 . . . . . 0 N--CA 1.448 -0.553 0 CA-C-N 115.379 -0.828 . . . . 7.1699999999999999 111.042 179.23 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.491 0.186 . . . . 2.0099999999999998 110.936 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -99.24 118.28 35.59 Favored 'General case' 0 N--CA 1.439 -1.008 0 O-C-N 124.783 1.302 . . . . 3.8999999999999999 108.969 177.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.546 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 16.5 m-85 -97.75 148.7 23.1 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 124.47 1.108 . . . . 3.4100000000000001 112.728 166.801 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.411 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 20.0 m -125.64 150.46 47.56 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.098 0.959 . . . . 2.9100000000000001 110.232 174.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.546 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -136.91 169.89 17.01 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.468 1.507 . . . . 1.1000000000000001 108.128 170.727 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.28 126.83 53.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 104.35 -2.463 . . . . 3.1299999999999999 104.35 170.145 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.1 t -120.75 147.74 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 120.271 1.396 . . . . 1.9399999999999999 107.366 -176.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.74 102.56 5.72 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.745 -1.576 . . . . 1.73 106.745 175.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.32 -25.64 0.88 Allowed Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.656 -0.525 . . . . 1.0 113.187 173.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.85 69.85 0.71 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.341 1.07 . . . . 2.8700000000000001 112.731 179.366 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -108.82 58.47 0.61 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.765 0.426 . . . . 4.6600000000000001 111.591 -176.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -170.57 149.38 3.22 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.937 -0.477 . . . . 2.5899999999999999 111.463 168.804 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 60.62 1.29 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.389 1.076 . . . . 2.6899999999999999 111.548 178.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.36 -54.77 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 126.725 2.01 . . . . 2.6299999999999999 107.056 -175.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.4 m -63.54 -34.5 77.93 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.335 -0.987 . . . . 3.1800000000000002 108.335 170.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.34 -41.35 19.22 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.537 0.735 . . . . 2.0800000000000001 111.922 167.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.62 -47.0 34.61 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 118.902 0.774 . . . . 3.6099999999999999 109.13 175.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -49.38 -35.77 19.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.103 0.865 . . . . 4.2999999999999998 112.325 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.9 t -54.07 -61.01 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 123.887 0.875 . . . . 1.79 110.744 170.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.76 -37.94 87.73 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 119.603 -0.839 . . . . 2.1800000000000002 108.892 -175.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -65.74 -34.48 78.27 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 120.709 -1.244 . . . . 0.64000000000000001 110.175 -177.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.5 -20.92 49.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.059 0.544 . . . . 1.6799999999999999 112.462 170.104 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -100.72 -44.89 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 125.832 1.653 . . . . 2.7400000000000002 109.668 -177.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -61.94 -32.96 73.43 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 120.693 -1.254 . . . . 3.5800000000000001 109.92 -175.126 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.05 -13.59 17.74 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.733 1.383 . . . . 0.81000000000000005 114.733 175.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.81 -115.66 0.0 OUTLIER 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.659 1.118 . . . . 2.1299999999999999 110.404 177.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.53 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.157 0.503 . . . . 1.6499999999999999 109.831 -176.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -19.67 79.76 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 115.61 -0.723 . . . . 0.41999999999999998 112.309 -176.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.92 142.67 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.694 1.198 . . . . 1.6599999999999999 109.557 172.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -127.58 -43.54 1.57 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 119.069 -0.491 . . . . 2.8900000000000001 111.063 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -134.12 150.13 51.12 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.432 -0.951 . . . . 2.5 108.432 -177.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.4 t -142.72 143.0 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 124.051 0.94 . . . . 3.6800000000000002 108.507 -175.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -134.69 89.9 2.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.787 1.635 . . . . 2.3300000000000001 108.961 -175.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.1 t -91.69 100.45 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 125.903 1.681 . . . . 3.4900000000000002 108.948 173.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -98.26 71.41 2.08 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 106.243 -1.762 . . . . 1.6200000000000001 106.243 172.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.77 117.62 3.06 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 106.257 -1.757 . . . . 4.96 106.257 160.64 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 127.04 -33.27 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 128.974 2.91 . . . . 2.6400000000000001 110.106 -171.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m -117.49 5.06 12.44 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.445 0.698 . . . . 2.1099999999999999 110.372 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 49.49 37.82 13.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.66 1.584 . . . . 3.6800000000000002 113.515 169.597 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.01 125.93 36.52 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 105.284 -2.117 . . . . 2.6800000000000002 105.284 -178.756 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.79 140.55 32.82 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 105.714 -1.958 . . . . 2.3599999999999999 105.714 178.027 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.8 t -125.4 144.54 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 118.492 0.587 . . . . 1.6899999999999999 110.686 163.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.6 t -139.97 117.89 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 107.313 -1.366 . . . . 1.6499999999999999 107.313 -178.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -98.56 109.54 22.28 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.41 -1.7 . . . . 2.0800000000000001 106.41 174.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.23 125.49 13.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.276 1.03 . . . . 1.77 109.347 -169.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -88.22 58.07 4.58 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.705 -0.479 . . . . 2.3799999999999999 109.705 -168.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 175.23 175.71 0.21 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 127.071 2.148 . . . . 1.6299999999999999 108.44 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -88.08 107.67 18.87 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.894 1.678 . . . . 4.8899999999999997 110.336 175.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.85 19.25 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 O-C-N 121.491 -0.756 . . . . 1.98 112.655 175.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -63.22 -48.58 77.7 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.678 -1.264 . . . . 4.7999999999999998 110.65 -170.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.95 -32.98 64.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 123.972 0.795 . . . . 1.3700000000000001 110.76 172.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -75.59 -45.85 35.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.184 -0.673 . . . . 2.79 109.184 -175.024 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.489 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 42.4 t -65.82 -46.54 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 N-CA-C 109.142 -0.688 . . . . 1.73 109.142 178.416 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -48.97 -60.59 2.64 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 117.643 -1.17 . . . . 2.4500000000000002 110.66 170.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -46.73 -47.84 20.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.768 1.167 . . . . 1.4399999999999999 110.72 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.12 81.97 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.604 0.762 . . . . 1.7 112.498 178.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.2 mt -69.49 -44.84 70.28 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.8 0.84 . . . . 1.99 110.048 -177.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -55.55 26.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.94 -0.763 . . . . 2.27 108.94 175.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -19.7 62.22 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.987 -0.445 . . . . 6.1600000000000001 112.039 -178.376 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.73 -19.7 65.81 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.228 -0.92 . . . . 1.6499999999999999 111.768 167.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.03 51.29 1.01 Allowed Glycine 0 C--N 1.338 0.64 0 N-CA-C 110.735 -0.946 . . . . 0.79000000000000004 110.735 175.152 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -132.7 176.68 8.25 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.829 0.852 . . . . 3.2999999999999998 108.884 171.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.7 m -126.32 137.81 53.52 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.174 -1.417 . . . . 2.5699999999999998 107.174 166.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.9 pp -144.34 176.17 9.56 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.505 1.122 . . . . 1.71 108.492 173.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.73 151.82 51.89 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.129 -1.804 . . . . 5.7199999999999998 106.129 162.426 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -81.64 90.77 6.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.147 0.979 . . . . 2.5299999999999998 111.134 -168.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.61 157.82 33.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 120.917 -1.115 . . . . 2.6000000000000001 113.565 -173.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--N 1.323 -0.544 0 C-N-CA 125.128 1.371 . . . . 7.2699999999999996 112.581 169.266 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.081 -0.711 . . . . 2.29 109.081 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 ttm105 -114.19 135.54 53.93 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.8 1.24 . . . . 4.4299999999999997 108.24 170.567 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.0 m-85 -118.27 142.9 47.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.33 1.452 . . . . 3.4100000000000001 111.668 171.634 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.416 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 6.7 m -122.14 146.4 47.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.12 1.368 . . . . 2.8100000000000001 110.064 -177.27 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.545 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 1.1 m-90 -137.47 158.67 43.9 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.96 0.904 . . . . 1.1399999999999999 110.49 172.269 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 121.34 43.72 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 104.914 -2.254 . . . . 3.2200000000000002 104.914 167.638 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -107.22 163.47 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 N-CA-C 107.525 -1.287 . . . . 1.6200000000000001 107.525 175.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.18 101.16 3.58 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.665 -1.235 . . . . 1.6299999999999999 107.665 173.543 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.96 -40.45 0.8 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.617 -0.593 . . . . 0.83999999999999997 111.617 177.166 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -72.1 104.82 3.72 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 119.145 -0.455 . . . . 2.6299999999999999 109.892 -177.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -155.51 66.09 0.62 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.654 0.661 . . . . 2.8300000000000001 110.892 168.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 m -145.0 -94.81 0.1 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.076 0.551 . . . . 2.2799999999999998 110.657 175.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.89 -59.01 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.445 1.098 . . . . 2.1400000000000001 109.079 -175.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.13 -40.54 61.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.371 0.605 . . . . 1.9099999999999999 110.872 173.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.5 m -70.1 -34.01 72.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.863 -0.792 . . . . 2.7999999999999998 108.863 -178.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.02 88.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.075 -0.713 . . . . 1.95 109.075 176.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -63.0 -52.6 62.34 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.36 -0.936 . . . . 4.3099999999999996 109.73 176.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -47.49 -40.46 18.53 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.328 -0.858 . . . . 5.7000000000000002 112.59 179.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.3 t -62.18 -60.39 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 124.683 1.193 . . . . 1.9399999999999999 110.918 174.058 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.85 -44.49 91.03 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.818 -1.179 . . . . 2.02 107.818 -173.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -60.18 -40.4 89.84 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.421 1.089 . . . . 1.02 109.268 -177.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -22.35 30.47 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.044 0.757 . . . . 1.54 113.044 172.223 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -92.52 -45.93 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.484 1.114 . . . . 2.8399999999999999 110.174 171.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -61.68 -29.39 70.05 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 120.265 -1.522 . . . . 4.5800000000000001 110.679 -172.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -60.87 -13.36 15.13 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.756 1.021 . . . . 1.26 113.756 176.669 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.81 -123.07 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.482 1.037 . . . . 2.04 109.284 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.66 -49.03 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 123.738 0.815 . . . . 1.45 109.253 -177.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.49 -13.17 83.81 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 115.905 -0.589 . . . . 0.5 112.718 -177.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.0 t -53.54 137.56 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.513 0.725 . . . . 1.8600000000000001 110.084 167.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.55 -48.99 3.65 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.24 -1.022 . . . . 2.1400000000000001 108.24 173.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -160.72 154.41 22.36 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.903 -1.517 . . . . 2.5699999999999998 106.903 -168.379 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.06 145.13 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 124.426 1.09 . . . . 3.29 108.95 -169.322 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.43 99.08 5.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.7 0.8 . . . . 3.7200000000000002 110.6 173.297 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 t -93.43 116.98 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 126.46 1.904 . . . . 3.23 106.819 167.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.7 tp -128.44 115.69 18.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.768 -1.568 . . . . 1.8400000000000001 106.768 174.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -66.67 169.57 7.62 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.446 0.698 . . . . 3.4500000000000002 111.371 174.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 78.32 -46.5 0.43 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 127.477 2.311 . . . . 2.25 109.637 174.394 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m -74.48 -16.22 60.86 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.783 -0.451 . . . . 2.0899999999999999 109.783 166.141 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.84 42.95 16.79 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.921 1.289 . . . . 3.8900000000000001 110.839 -178.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 130.74 53.05 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 106.843 -1.54 . . . . 2.5600000000000001 106.843 -171.046 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.24 138.92 37.62 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.132 -1.062 . . . . 2.3399999999999999 108.132 178.366 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.1 t -126.37 147.13 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 O-C-N 124.264 0.977 . . . . 1.8400000000000001 110.492 160.258 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.5 t -136.9 120.31 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 C-N-CA 125.159 1.384 . . . . 1.73 107.592 176.298 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.74 116.66 33.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.755 1.222 . . . . 2.3599999999999999 107.843 176.21 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -146.66 151.15 36.78 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.304 1.442 . . . . 1.5900000000000001 109.931 -167.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.94 52.46 0.82 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.128 0.966 . . . . 2.25 111.272 -174.492 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 167.87 165.34 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 104.942 -2.244 . . . . 2.9300000000000002 104.942 -169.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -93.41 130.12 39.32 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 120.44 1.473 . . . . 3.2999999999999998 109.708 170.262 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 pp -143.25 32.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 124.04 0.838 . . . . 1.77 109.581 173.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 mtm-85 -66.07 -48.26 71.56 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.975 -1.078 . . . . 3.7799999999999998 110.366 -172.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.48 -35.14 52.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.841 0.713 . . . . 1.3300000000000001 110.409 171.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -42.45 43.54 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.564 -0.532 . . . . 2.6299999999999999 109.564 -174.699 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.533 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 54.7 t -63.98 -51.64 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 N-CA-C 107.863 -1.162 . . . . 1.79 107.863 176.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -44.72 -60.13 2.17 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 118.042 -0.98 . . . . 2.4100000000000001 110.613 174.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.8 t -46.34 -47.89 18.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.853 0.751 . . . . 1.2 110.451 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.82 53.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 112.589 0.589 . . . . 1.45 112.589 178.024 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.24 -47.17 82.05 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 119.607 1.094 . . . . 2.5800000000000001 111.837 177.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -49.92 71.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.128 -0.942 . . . . 2.23 108.943 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -63.86 -42.6 97.51 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.537 -0.301 . . . . 4.5700000000000003 111.145 177.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.47 -36.74 74.19 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.23 1.012 . . . . 1.55 111.121 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.66 54.56 0.16 Allowed Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.279 0.942 . . . . 0.69999999999999996 110.994 170.391 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -138.19 146.02 42.18 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.508 0.723 . . . . 3.4700000000000002 109.633 177.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 p -94.99 124.71 39.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.297 -1.372 . . . . 3.1200000000000001 107.297 168.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 pp -138.23 174.78 10.19 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 108.766 -0.827 . . . . 1.8999999999999999 108.766 168.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.95 105.07 4.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 104.682 -2.34 . . . . 5.0800000000000001 104.682 -177.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -28.62 98.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.205 1.802 . . . . 3.4399999999999999 112.679 179.093 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.28 155.4 21.38 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.623 0.725 . . . . 2.4100000000000001 109.161 -174.506 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.409 0 C-N-CA 125.334 1.454 . . . . 4.8600000000000003 110.429 168.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 109.026 -0.731 . . . . 1.9199999999999999 109.026 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -97.29 127.88 43.64 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.201 -1.363 . . . . 4.54 109.38 -176.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.604 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 18.4 m-85 -117.18 125.48 51.26 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.712 1.205 . . . . 3.3399999999999999 113.423 176.235 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -97.27 143.01 28.46 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.915 1.686 . . . . 2.73 111.048 176.026 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.604 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -141.15 169.05 18.35 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.635 0.774 . . . . 1.1899999999999999 111.239 159.462 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.66 105.67 13.89 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.423 2.289 . . . . 2.9900000000000002 105.771 -177.088 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 t -100.84 129.13 52.21 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 120.243 1.383 . . . . 1.78 108.843 -170.335 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.16 96.24 5.24 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.808 -1.182 . . . . 1.73 107.808 -177.366 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.88 -35.74 0.62 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.841 -0.904 . . . . 0.81999999999999995 110.841 175.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -71.6 128.15 34.89 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 118.941 -0.552 . . . . 2.6800000000000002 110.583 177.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -175.59 83.61 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.373 1.869 . . . . 3.0299999999999998 108.699 162.014 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.64 -88.27 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.693 -0.629 . . . . 2.4199999999999999 110.764 172.584 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.36 -57.72 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.179 0.992 . . . . 2.48 109.262 -177.409 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.46 -33.72 45.71 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.247 0.619 . . . . 2.3300000000000001 110.943 173.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.8 m -72.92 -40.13 65.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.587 -0.894 . . . . 2.79 108.587 -177.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.11 97.58 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.608 -0.516 . . . . 1.73 109.608 176.148 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -59.37 -52.01 67.47 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 118.572 -1.251 . . . . 3.9399999999999999 110.811 172.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -45.83 -47.2 15.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.334 0.97 . . . . 3.6499999999999999 111.678 176.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.96 -61.77 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 118.372 0.533 . . . . 2.1499999999999999 111.594 175.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.8 -41.75 96.27 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 106.445 -1.687 . . . . 2.0699999999999998 106.445 -167.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -66.03 -36.83 84.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.507 1.123 . . . . 0.82999999999999996 110.292 -179.131 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.1 47.06 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.109 -0.948 . . . . 1.8 112.492 170.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.2 m -102.45 -38.14 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 119.694 1.133 . . . . 3.4300000000000002 112.449 174.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -59.29 -27.92 66.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.368 1.067 . . . . 3.73 110.086 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.89 -13.82 62.16 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.358 0.873 . . . . 0.62 113.358 178.104 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -119.76 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.708 0.685 . . . . 1.6399999999999999 109.748 178.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.57 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.769 0.828 . . . . 1.6699999999999999 108.993 -175.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.68 -26.37 65.31 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 112.009 -0.436 . . . . 0.81000000000000005 112.009 -176.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.4 t -56.49 138.29 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 124.664 1.186 . . . . 1.6699999999999999 109.84 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -140.64 -46.48 0.41 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 119.048 -0.501 . . . . 2.71 111.843 177.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -125.02 80.46 1.88 Allowed 'General case' 0 C--O 1.227 -0.108 0 CA-C-O 122.316 1.055 . . . . 2.46 109.278 -174.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.53 140.35 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.67 -0.695 . . . . 2.4700000000000002 109.837 173.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -129.8 105.56 8.1 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.098 -1.075 . . . . 2.6200000000000001 108.098 166.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.7 t -93.47 118.46 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 105.832 -1.914 . . . . 3.2000000000000002 105.832 174.498 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.4 tp -127.33 111.3 13.74 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.264 -0.643 . . . . 1.8500000000000001 109.264 -178.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -62.63 165.25 6.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.112 -0.949 . . . . 3.3799999999999999 111.562 172.322 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.02 -45.51 0.53 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 127.917 2.487 . . . . 1.9199999999999999 110.717 172.59 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.8 p -73.93 -17.49 61.01 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.88 -0.513 . . . . 3.48 110.654 162.257 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 52.32 44.01 30.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.298 1.039 . . . . 4.1500000000000004 111.172 -178.705 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.86 129.41 51.35 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.134 -1.061 . . . . 2.48 108.134 -175.694 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.26 120.99 38.64 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 104.928 -2.249 . . . . 2.6600000000000001 104.928 164.108 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 t -123.38 128.31 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 O-C-N 123.995 0.809 . . . . 1.8200000000000001 110.874 157.166 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.7 t -120.25 118.94 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 124.76 1.224 . . . . 1.79 108.035 173.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -97.66 119.8 36.89 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.263 -1.014 . . . . 3.4300000000000002 108.263 168.058 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.46 140.58 37.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.481 1.112 . . . . 1.6100000000000001 110.043 -170.608 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.51 58.8 4.86 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 121.06 0.457 . . . . 2.0699999999999998 109.924 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 172.18 177.38 0.08 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 127.355 2.262 . . . . 1.71 108.072 176.177 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -87.23 127.03 35.17 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 108.29 -1.004 . . . . 3.1499999999999999 108.29 162.138 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pp -138.39 21.97 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.272 1.029 . . . . 2.1299999999999999 110.449 168.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.92 -45.91 90.27 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.813 1.642 . . . . 4.46 111.381 -167.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.87 70.99 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 124.046 0.842 . . . . 1.3500000000000001 109.921 175.227 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -72.27 -47.6 48.89 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 121.63 -0.668 . . . . 2.3599999999999999 110.191 -178.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.511 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 53.7 t -65.41 -45.29 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 N-CA-C 107.578 -1.267 . . . . 1.6100000000000001 107.578 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.47 -58.17 5.05 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 118.798 -0.62 . . . . 3.0800000000000001 110.834 174.566 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -53.69 -47.52 70.38 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.03 0.443 . . . . 1.52 110.049 -178.157 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.0 63.2 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.505 0.722 . . . . 1.6399999999999999 112.24 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.94 -52.15 65.15 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.142 1.777 . . . . 3.2799999999999998 109.447 177.802 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.32 -52.92 61.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.502 -0.925 . . . . 2.21 108.502 -178.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -58.5 -43.47 89.08 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.511 0.507 . . . . 4.4199999999999999 111.165 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.77 -36.98 62.98 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.48 1.112 . . . . 1.6200000000000001 110.599 -179.432 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.44 50.39 0.07 OUTLIER Glycine 0 C--N 1.335 0.525 0 N-CA-C 110.383 -1.087 . . . . 0.95999999999999996 110.383 166.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -130.91 -173.91 3.22 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 122.434 1.111 . . . . 3.4900000000000002 110.239 179.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.3 m -144.68 141.64 29.48 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 105.056 -2.202 . . . . 2.7000000000000002 105.056 164.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 pp -146.85 165.41 29.82 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 126.811 2.045 . . . . 2.0099999999999998 105.629 -177.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -133.1 122.9 24.77 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 102.132 -3.284 . . . . 4.79 102.132 177.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -49.48 109.76 0.31 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.285 1.434 . . . . 3.8399999999999999 109.011 -178.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.76 -178.82 5.86 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.155 -1.795 . . . . 2.3900000000000001 106.155 -178.795 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.712 0.768 . . . . 4.8399999999999999 110.741 168.147 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 CA--C 1.511 -0.552 0 CA-C-O 121.516 0.674 . . . . 1.9299999999999999 109.666 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -107.48 120.93 43.54 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-N 112.701 -2.045 . . . . 4.8300000000000001 107.934 -171.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.526 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 31.6 m-85 -113.68 123.29 49.55 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 125.686 1.594 . . . . 3.1299999999999999 112.512 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.0 t -100.68 149.87 23.33 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.481 1.512 . . . . 2.8599999999999999 111.461 177.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.542 ' CZ2' ' CG1' ' A' ' 56' ' ' VAL . 1.4 m-90 -141.19 157.18 45.61 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.683 1.593 . . . . 1.1399999999999999 109.511 167.252 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.54 107.73 18.36 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.818 1.647 . . . . 3.0899999999999999 107.648 175.552 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.59 121.41 51.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 119.164 0.893 . . . . 1.8400000000000001 109.304 -169.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -107.28 99.66 9.18 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 106.599 -1.63 . . . . 1.49 106.599 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.3 -38.93 0.88 Allowed Glycine 0 C--N 1.335 0.52 0 N-CA-C 111.371 -0.692 . . . . 0.72999999999999998 111.371 176.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.3 ptt? -69.88 110.59 5.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 120.272 -0.571 . . . . 2.6099999999999999 110.676 -178.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -159.26 90.19 0.95 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.357 1.063 . . . . 2.8300000000000001 108.456 166.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.36 -89.17 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.639 0.776 . . . . 2.2799999999999998 110.09 169.012 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.35 -59.81 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 125.894 1.678 . . . . 2.27 107.232 -178.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.31 41.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.439 -0.801 . . . . 2.0899999999999999 111.115 172.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 m -71.24 -41.15 70.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.018 -0.734 . . . . 2.4100000000000001 109.018 -177.142 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.1 -45.45 92.9 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.363 -0.606 . . . . 1.8899999999999999 109.363 176.316 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -59.69 -53.71 54.79 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.589 -0.844 . . . . 3.8199999999999998 110.215 175.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -47.42 -44.2 24.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 121.311 -0.868 . . . . 4.71 111.217 178.406 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.07 -60.69 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 118.858 0.754 . . . . 1.8899999999999999 111.71 173.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -62.75 -36.01 81.67 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.383 -0.969 . . . . 1.73 108.383 -170.305 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -70.03 -34.16 72.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.639 1.175 . . . . 0.48999999999999999 110.339 178.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.21 65.85 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.858 0.863 . . . . 1.6200000000000001 111.813 166.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.6 t -89.87 -40.9 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 C-N-CA 124.718 1.207 . . . . 2.8300000000000001 111.236 175.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -67.6 -34.41 76.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 119.698 -1.877 . . . . 3.3100000000000001 109.28 -173.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.71 -13.01 19.23 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.818 1.414 . . . . 0.58999999999999997 114.818 177.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.03 -107.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.807 1.185 . . . . 1.8700000000000001 110.133 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.62 -50.55 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.598 1.159 . . . . 1.6200000000000001 109.02 179.223 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.0 -5.0 90.45 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-N 115.467 -0.788 . . . . 0.52000000000000002 113.282 -171.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.37 144.19 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.598 0.759 . . . . 1.6499999999999999 109.162 173.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -116.72 -46.08 2.76 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.722 -0.474 . . . . 2.7200000000000002 109.722 173.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.66 162.42 39.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.072 -1.084 . . . . 2.7999999999999998 108.072 -179.012 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.13 135.82 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.402 -1.333 . . . . 2.52 107.402 -170.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -123.14 104.64 9.31 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 122.562 1.173 . . . . 2.9500000000000002 108.085 174.54 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.11 121.94 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 105.589 -2.004 . . . . 2.6400000000000001 105.589 169.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.3 tp -128.95 113.14 14.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.917 -1.142 . . . . 1.76 107.917 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -65.91 164.13 15.63 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 123.889 0.743 . . . . 3.3900000000000001 111.215 173.382 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.66 -40.95 0.48 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 128.432 2.693 . . . . 2.29 111.178 176.068 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 m -73.89 -23.92 59.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 123.452 0.701 . . . . 2.2000000000000002 109.336 162.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 50.98 41.09 26.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.426 1.091 . . . . 4.1100000000000003 110.027 -175.017 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 126.9 51.47 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 103.693 -2.706 . . . . 2.3399999999999999 103.693 -176.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.94 135.55 39.5 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 124.714 1.259 . . . . 2.2799999999999998 107.672 158.792 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.75 142.86 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 O-C-N 124.425 1.078 . . . . 2.04 110.277 154.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.05 131.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 C-N-CA 125.105 1.362 . . . . 1.6100000000000001 107.665 171.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -110.45 108.51 18.55 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 125.998 1.719 . . . . 2.48 106.986 177.532 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.48 138.46 41.44 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.452 -0.944 . . . . 1.6100000000000001 108.452 -171.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.45 57.38 1.4 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 108.479 -0.934 . . . . 2.02 108.479 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.05 -40.56 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.673 0.99 . . . . 2.9100000000000001 113.673 173.752 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t0 96.61 125.1 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 129.712 3.205 . . . . 3.0600000000000001 111.062 -173.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 pp -149.93 30.46 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 125.754 1.622 . . . . 1.8899999999999999 109.664 -179.024 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -58.81 -55.46 34.76 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.359 -1.463 . . . . 4.7300000000000004 112.831 -171.449 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.22 -28.61 42.3 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.475 -0.784 . . . . 1.3100000000000001 109.557 175.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -79.19 -38.86 34.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.836 -0.802 . . . . 3.0499999999999998 108.836 -174.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.542 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 66.4 t -68.06 -50.17 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 N-CA-C 108.026 -1.101 . . . . 1.6499999999999999 108.026 177.47 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -47.69 -57.54 5.41 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 118.019 -0.991 . . . . 2.3199999999999998 109.571 174.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 t -45.85 -42.87 12.95 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.761 0.709 . . . . 1.6899999999999999 110.684 177.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.46 -46.17 84.26 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.964 0.906 . . . . 1.6100000000000001 111.542 -178.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.65 -38.08 73.79 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.049 0.539 . . . . 2.8700000000000001 110.57 -179.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -50.4 73.82 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.928 0.891 . . . . 3.5699999999999998 108.8 176.309 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -64.65 -37.81 88.85 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.947 0.794 . . . . 5.9400000000000004 111.61 175.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.51 91.89 Favored 'General case' 0 C--N 1.34 0.157 0 O-C-N 121.977 -0.452 . . . . 1.45 111.174 -178.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.0 57.85 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 124.318 0.961 . . . . 0.65000000000000002 110.943 173.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -129.41 176.18 8.17 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.728 0.811 . . . . 3.5 108.946 170.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.4 p -126.06 133.06 51.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.123 -1.436 . . . . 3.0499999999999998 107.123 166.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 pp -143.51 171.08 14.64 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.853 1.661 . . . . 1.9299999999999999 108.681 176.214 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -134.49 116.19 14.82 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 104.724 -2.324 . . . . 4.46 104.724 169.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -46.6 92.52 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 126.276 1.83 . . . . 2.77 113.928 -173.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.46 166.81 16.06 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.456 -1.402 . . . . 2.96 111.968 -170.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 113.908 -1.496 . . . . 5.0199999999999996 111.859 161.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.112 -1.07 . . . . 2.1800000000000002 108.112 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -110.68 155.99 21.64 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 124.182 0.926 . . . . 6.8799999999999999 110.019 170.236 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.511 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 28.4 m-85 -137.84 122.81 19.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 126.542 1.937 . . . . 3.4900000000000002 106.909 -178.83 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -100.28 149.48 23.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.563 1.145 . . . . 2.46 108.051 175.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.511 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 2.7 m-90 -134.34 175.03 9.88 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.413 0.685 . . . . 1.1299999999999999 109.424 166.615 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.75 113.98 15.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 105.962 -1.866 . . . . 6.9900000000000002 105.962 167.202 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 t -97.32 165.5 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 108.371 -0.974 . . . . 1.77 108.371 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -128.89 117.64 21.35 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.246 -1.02 . . . . 1.9099999999999999 108.246 167.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.73 -21.76 4.42 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.087 0.851 . . . . 0.85999999999999999 112.486 172.212 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.4 ptm -67.43 100.6 0.86 Allowed 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.978 -0.719 . . . . 3.04 111.457 -178.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -160.5 68.04 0.35 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.274 0.629 . . . . 2.9900000000000002 110.449 165.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.4 t -168.33 150.92 5.36 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.302 -0.874 . . . . 2.4399999999999999 111.779 172.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 65.09 1.33 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.365 1.066 . . . . 3.1499999999999999 112.268 -176.313 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.83 -48.91 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 127.05 2.14 . . . . 2.04 107.983 -176.622 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.94 -41.23 97.68 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.027 -1.101 . . . . 3.7999999999999998 108.027 175.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.97 -54.48 10.05 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 123.595 0.559 . . . . 2.1299999999999999 110.492 176.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -50.0 70.68 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 120.249 -0.581 . . . . 4.3799999999999999 109.87 178.259 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -41.85 12.35 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.794 0.725 . . . . 3.71 111.807 179.115 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.73 -60.79 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 118.402 0.547 . . . . 1.6000000000000001 111.732 174.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -59.33 -43.18 92.76 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 107.434 -1.321 . . . . 2.2000000000000002 107.434 -173.323 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.07 -36.82 85.26 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.1 0.96 . . . . 0.66000000000000003 109.549 -176.112 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.31 -25.97 37.64 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 118.833 -0.603 . . . . 1.8300000000000001 112.045 171.551 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -97.56 -43.87 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 118.775 0.716 . . . . 3.4700000000000002 112.875 176.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -61.53 -27.4 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.302 -0.874 . . . . 3.3999999999999999 110.383 -175.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -66.45 -13.55 60.94 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.21 0.819 . . . . 0.70999999999999996 113.21 176.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -114.24 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.014 0.926 . . . . 1.8700000000000001 109.342 -178.569 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.36 -46.89 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.365 1.066 . . . . 1.5900000000000001 108.348 177.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.62 -19.28 79.69 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.404 -0.817 . . . . 0.44 113.265 -174.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.9 t -57.93 139.44 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.006 0.522 . . . . 1.6699999999999999 111.142 176.035 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -104.83 -56.05 2.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.306 1.842 . . . . 2.0800000000000001 106.848 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.76 177.44 10.09 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.888 0.875 . . . . 2.9900000000000002 108.664 178.533 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.26 143.62 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 124.437 1.095 . . . . 2.75 109.335 -172.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -127.45 94.11 3.9 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.423 1.489 . . . . 2.4399999999999999 109.48 171.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 t -88.74 105.86 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 106.401 -1.703 . . . . 3.52 106.401 168.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.2 tp -110.44 112.49 24.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.531 -0.914 . . . . 1.77 108.531 179.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -64.1 167.03 6.92 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 123.604 0.762 . . . . 3.3399999999999999 111.783 170.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.71 -33.11 0.26 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.614 1.966 . . . . 2.0299999999999998 112.979 177.262 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -99.07 3.5 46.78 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.062 1.745 . . . . 1.95 110.833 169.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 35.64 37.77 0.04 OUTLIER 'General case' 0 C--O 1.237 0.446 0 C-N-CA 128.096 2.558 . . . . 4.5 113.982 -176.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.13 135.24 44.06 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 106.857 -1.534 . . . . 2.6699999999999999 106.857 -172.31 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.5 141.12 36.54 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.236 -1.394 . . . . 3.21 107.236 161.203 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.88 143.46 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 O-C-N 123.952 0.783 . . . . 1.8899999999999999 109.286 152.239 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.5 t -125.41 133.73 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 105.336 -2.098 . . . . 1.5700000000000001 105.336 173.332 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -107.35 115.18 29.72 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 105.407 -2.071 . . . . 3.6600000000000001 105.407 175.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.18 135.83 17.14 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.819 1.19 . . . . 1.6699999999999999 111.893 -174.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.75 58.08 4.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.514 0.673 . . . . 1.99 109.687 -178.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.88 152.58 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 C-N-CA 127.321 2.248 . . . . 1.71 107.7 176.777 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -78.48 115.54 18.26 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 107.874 -1.158 . . . . 3.1499999999999999 107.874 174.162 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -135.04 26.62 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.365 0.603 . . . . 1.77 109.477 179.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 -63.47 -48.24 78.49 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 121.628 -0.67 . . . . 3.96 111.473 -170.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.94 -28.88 58.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.801 0.688 . . . . 1.7 110.553 174.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -75.51 -44.88 41.39 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.525 -0.734 . . . . 2.79 109.213 -177.318 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.48 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 55.9 t -67.19 -48.37 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 120.631 -0.428 . . . . 1.78 110.167 178.052 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -51.01 -60.35 3.18 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 117.765 -1.112 . . . . 3.0600000000000001 110.589 173.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.3 t -48.76 -48.46 40.9 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.71 1.141 . . . . 1.4199999999999999 110.969 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.04 -53.37 58.87 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.851 0.46 . . . . 1.46 111.958 177.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.98 -45.18 94.75 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.39 0.676 . . . . 2.6400000000000001 110.84 -178.291 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -52.62 -54.22 36.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.721 -0.672 . . . . 2.3599999999999999 109.263 175.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.41 -42.13 91.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.639 -0.255 . . . . 4.9500000000000002 111.438 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.49 -28.71 46.73 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.255 1.022 . . . . 1.52 111.764 176.542 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.8 49.3 0.38 Allowed Glycine 0 C--N 1.336 0.547 0 N-CA-C 111.211 -0.756 . . . . 0.85999999999999999 111.211 166.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -134.24 -179.23 5.44 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.882 -1.155 . . . . 3.6699999999999999 107.882 171.155 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.3 m -128.93 140.79 51.51 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 104.115 -2.55 . . . . 2.8399999999999999 104.115 164.275 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 pp -127.37 167.53 16.07 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.888 -0.782 . . . . 1.99 108.888 171.284 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.32 125.54 51.3 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 103.47 -2.789 . . . . 4.5599999999999996 103.47 158.365 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -70.13 150.3 46.68 Favored 'General case' 0 N--CA 1.424 -1.764 0 N-CA-C 107.423 -1.325 . . . . 3.0499999999999998 107.423 166.196 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.66 -176.76 3.78 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 112.544 -2.116 . . . . 2.6800000000000002 110.793 -169.001 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.823 0.82 . . . . 4.8399999999999999 109.963 174.814 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.516 -0.358 0 N-CA-C 108.232 -1.025 . . . . 1.77 108.232 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -97.01 144.24 27.09 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.835 -1.53 . . . . 3.79 107.308 173.081 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.549 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 14.2 m-85 -125.43 134.9 51.94 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 127.058 2.143 . . . . 3.6299999999999999 108.494 171.01 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.458 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 8.0 p -116.53 155.2 29.07 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 123.93 0.769 . . . . 2.5600000000000001 111.068 173.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.549 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -141.08 163.37 33.15 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.211 1.004 . . . . 1.1599999999999999 109.98 169.169 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -113.84 118.32 33.9 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 106.461 -1.681 . . . . 2.8999999999999999 106.461 168.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.97 162.85 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.621 -0.881 . . . . 1.6799999999999999 108.621 179.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.34 108.31 6.72 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.053 -1.091 . . . . 1.9399999999999999 108.053 171.503 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.36 -36.96 1.6 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.838 -0.505 . . . . 1.02 111.838 170.809 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -69.9 112.49 6.35 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.466 -0.432 . . . . 2.98 110.439 -177.045 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.94 58.27 0.31 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.734 0.778 . . . . 3.6400000000000001 110.13 166.49 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.61 131.17 9.71 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.643 1.177 . . . . 2.46 110.535 179.412 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.18 72.32 0.11 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.835 1.254 . . . . 2.7999999999999998 113.003 -176.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 179.94 -50.5 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 127.529 2.332 . . . . 1.97 107.975 -173.313 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.0 p -72.55 -33.24 66.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.147 -0.686 . . . . 3.0899999999999999 109.147 179.35 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -52.35 -49.64 63.92 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.775 -0.454 . . . . 1.5600000000000001 109.775 170.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -61.7 -50.35 72.83 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 119.838 -0.745 . . . . 6.2699999999999996 109.649 178.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -51.14 -44.59 61.42 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.488 1.04 . . . . 4.6699999999999999 112.162 178.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -56.24 -60.17 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.873 0.869 . . . . 1.8899999999999999 111.061 173.645 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.56 -38.09 89.8 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 119.385 -0.926 . . . . 2.3900000000000001 108.589 -172.233 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.54 -35.32 80.1 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.258 1.023 . . . . 0.55000000000000004 109.865 178.225 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.56 -23.68 63.09 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.4 0.68 . . . . 1.6399999999999999 112.46 170.03 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.98 -46.14 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.315 1.446 . . . . 2.77 110.813 176.478 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -63.72 -32.97 74.63 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 120.723 -1.236 . . . . 3.9399999999999999 109.343 -171.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -63.84 -15.78 59.71 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.547 1.314 . . . . 0.84999999999999998 114.547 177.709 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.37 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.002 1.274 . . . . 1.8899999999999999 111.555 -174.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 168.0 -51.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 126.006 1.722 . . . . 1.54 108.694 177.573 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.32 -20.12 79.82 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 115.077 -0.965 . . . . 0.57999999999999996 113.156 -170.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.49 140.99 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.461 1.104 . . . . 1.74 109.681 177.154 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -99.29 -51.86 3.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 107.064 -1.458 . . . . 2.1699999999999999 107.064 169.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -148.72 161.49 41.66 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 124.331 1.052 . . . . 2.7999999999999998 108.597 -170.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 p -152.99 139.88 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 125.195 1.398 . . . . 2.4700000000000002 108.203 -173.612 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -135.38 109.21 8.09 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 122.479 1.133 . . . . 2.4700000000000002 108.989 175.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.06 125.21 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 C-N-CA 127.725 2.41 . . . . 2.8799999999999999 106.214 171.655 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.6 tp -126.48 115.27 19.31 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.234 -1.025 . . . . 1.8 108.234 177.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 14.2 m-85 -62.7 169.36 3.16 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 124.047 0.939 . . . . 3.5499999999999998 112.453 174.19 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.57 -38.99 0.4 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.168 1.387 . . . . 2.3100000000000001 113.649 -177.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -88.19 -4.01 58.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.976 0.91 . . . . 3.5099999999999998 112.158 171.104 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 41.32 37.97 0.72 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.754 2.022 . . . . 4.6600000000000001 113.362 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.55 127.25 53.45 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 106.978 -1.49 . . . . 2.7200000000000002 106.978 -168.269 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.12 136.97 39.21 Favored 'General case' 0 N--CA 1.425 -1.688 0 N-CA-C 108.066 -1.087 . . . . 2.2000000000000002 108.066 177.656 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.2 t -132.77 136.38 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 O-C-N 124.724 1.265 . . . . 2.1099999999999999 110.214 167.39 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.5 t -129.05 135.28 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 106.829 -1.545 . . . . 1.73 106.829 176.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.79 107.63 13.87 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.939 1.295 . . . . 2.2200000000000002 107.916 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.08 161.62 31.65 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.282 1.433 . . . . 1.78 109.663 -172.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.85 56.39 0.77 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.155 -1.054 . . . . 1.99 108.155 177.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -10.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 117.708 2.484 . . . . 2.9500000000000002 117.708 178.697 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 70.35 107.14 0.06 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 121.414 1.915 . . . . 4.29 112.792 -178.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 pp -147.75 28.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.351 0 O-C-N 121.653 -0.654 . . . . 1.74 111.344 -172.723 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -58.94 -47.24 85.78 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 121.118 -0.989 . . . . 3.3300000000000001 111.612 -173.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.23 -33.09 68.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 123.684 0.615 . . . . 1.6499999999999999 110.051 176.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -76.87 -37.13 56.1 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.896 -0.409 . . . . 3.04 109.896 -177.199 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.485 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 79.1 t -64.71 -58.12 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 108.166 -1.05 . . . . 1.8799999999999999 108.166 172.634 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -43.82 -58.24 2.84 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 117.809 -1.091 . . . . 2.3399999999999999 111.443 178.452 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -43.96 -41.75 5.51 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.208 0.913 . . . . 1.7 111.289 178.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.62 -47.05 50.91 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 121.824 -0.547 . . . . 1.49 110.156 -175.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.52 -42.24 98.46 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.354 0.597 . . . . 3.3300000000000001 111.686 176.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.62 -50.73 71.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.841 -0.8 . . . . 2.48 108.841 174.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -60.79 -43.17 98.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.225 0.21 . . . . 4.5700000000000003 110.993 177.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.2 -40.28 85.24 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.877 0.871 . . . . 1.6100000000000001 110.578 178.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.94 50.82 0.18 Allowed Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.343 0.973 . . . . 0.73999999999999999 111.83 169.171 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -136.72 131.1 33.03 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 117.859 0.83 . . . . 4.3700000000000001 109.955 174.013 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 m -87.47 105.96 17.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.75 -1.204 . . . . 2.8500000000000001 107.75 173.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 pp -101.7 178.75 4.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.203 0.601 . . . . 1.74 110.521 172.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -131.27 131.84 44.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 104.011 -2.588 . . . . 7.5999999999999996 104.011 166.363 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -71.99 124.9 25.92 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 106.627 -1.62 . . . . 2.5600000000000001 106.627 178.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -87.69 178.19 6.82 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 114.572 -1.195 . . . . 2.6000000000000001 110.439 175.592 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 . . . . . 0 N--CA 1.444 -0.757 0 CA-C-N 114.598 -1.183 . . . . 6.8399999999999999 109.722 173.963 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.8 m . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 107.849 -1.167 . . . . 1.72 107.849 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -96.85 118.89 34.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 O-C-N 124.676 1.235 . . . . 4.04 108.776 -176.346 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.572 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 8.6 m-85 -99.1 134.24 42.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.657 -1.611 . . . . 3.23 113.018 170.101 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -106.67 148.09 28.78 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.179 1.392 . . . . 2.7000000000000002 109.232 171.054 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.572 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -136.31 164.9 27.02 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.184 0.994 . . . . 1.1399999999999999 109.826 166.294 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -122.65 102.43 8.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 126.426 1.89 . . . . 4.1600000000000001 107.883 -178.105 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 t -96.64 177.07 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.621 0.724 . . . . 1.75 110.198 -174.755 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -156.67 102.11 2.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.623 1.569 . . . . 2.3399999999999999 107.11 173.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.62 -32.85 1.1 Allowed Glycine 0 CA--C 1.533 1.198 0 CA-C-N 118.054 0.388 . . . . 0.75 112.826 179.681 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.67 75.45 0.18 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.405 0.682 . . . . 2.7799999999999998 112.234 179.545 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.437 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 9.4 m-20 -120.64 61.47 0.88 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 121.524 0.678 . . . . 4.3799999999999999 111.848 177.753 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.75 155.06 2.57 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 122.035 -0.415 . . . . 2.27 110.724 166.042 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.43 38.58 0.15 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.566 1.546 . . . . 2.5800000000000001 112.889 -175.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.97 -51.98 0.13 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 127.473 2.309 . . . . 2.46 108.616 -172.674 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 m -60.12 -36.57 77.77 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 107.793 -1.188 . . . . 2.7200000000000002 107.793 171.324 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.43 -35.38 52.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.571 -0.74 . . . . 2.0099999999999998 111.944 172.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -74.29 -47.82 32.44 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 121.075 -1.015 . . . . 4.9000000000000004 108.914 175.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -49.56 -37.03 25.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.645 -0.66 . . . . 3.6899999999999999 111.331 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.3 t -55.71 -55.88 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 124.483 1.113 . . . . 1.8300000000000001 111.984 170.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -66.18 -43.54 86.58 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.226 0.921 . . . . 1.8500000000000001 108.6 -176.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -65.77 -30.83 71.54 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.176 -0.953 . . . . 0.63 110.384 -176.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.83 -22.25 35.09 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 118.334 -0.841 . . . . 1.52 112.058 170.323 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.9 m -106.95 -38.49 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 119.071 0.851 . . . . 3.0 113.187 177.548 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -59.31 -24.5 63.36 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 120.92 -1.113 . . . . 3.4300000000000002 111.11 178.712 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -68.41 -13.07 62.03 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.505 0.928 . . . . 0.68999999999999995 113.505 176.485 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -114.89 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.731 1.212 . . . . 2.0699999999999998 109.337 -178.49 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.78 -49.22 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 125.286 1.435 . . . . 1.6499999999999999 108.454 -179.674 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.56 -18.09 79.95 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 115.659 -0.701 . . . . 0.38 113.115 -174.692 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.61 130.64 22.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.812 0.845 . . . . 1.6399999999999999 110.814 176.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.58 -62.67 1.21 Allowed 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.151 1.38 . . . . 2.1299999999999999 108.574 178.384 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -143.83 109.12 5.05 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.878 -1.156 . . . . 2.3999999999999999 107.878 -165.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -102.53 138.83 25.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 123.628 0.771 . . . . 2.3199999999999998 109.32 178.723 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.53 111.36 8.79 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.238 1.018 . . . . 2.2999999999999998 109.338 168.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.04 123.25 44.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 127.818 2.447 . . . . 3.0600000000000001 104.511 170.573 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 tp -106.43 87.45 2.55 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 105.088 -2.19 . . . . 1.76 105.088 172.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 1.6 t80 -69.61 80.52 0.42 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.138 -1.06 . . . . 4.6299999999999999 108.138 170.787 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -167.13 -56.09 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.022 2.129 . . . . 2.77 106.7 166.662 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -97.0 38.39 1.24 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.832 1.253 . . . . 2.6899999999999999 110.885 -177.743 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 36.16 27.35 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 128.742 2.817 . . . . 5.1200000000000001 116.651 175.641 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -114.28 139.62 49.27 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.61 -1.256 . . . . 3.3599999999999999 107.61 -166.179 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.75 143.59 33.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.378 -0.971 . . . . 2.96 108.378 167.396 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -126.51 139.55 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 O-C-N 123.929 0.768 . . . . 1.76 111.258 156.214 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.52 119.54 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 125.688 1.595 . . . . 1.75 107.676 174.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -96.01 125.42 40.54 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.472 -1.677 . . . . 4.0700000000000003 106.472 169.296 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.14 146.2 32.61 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.129 0.571 . . . . 1.6299999999999999 110.628 -177.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -86.28 58.35 5.0 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.958 -0.756 . . . . 2.3799999999999999 108.958 177.394 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.68 160.17 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.219 1.808 . . . . 1.6799999999999999 110.852 175.629 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.94 105.4 4.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.484 1.514 . . . . 4.1299999999999999 110.57 172.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.05 25.02 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 123.284 0.634 . . . . 1.8200000000000001 111.799 175.321 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -62.4 -43.46 98.78 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.924 -1.11 . . . . 5.04 111.179 -174.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.33 -32.91 72.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 123.65 0.594 . . . . 1.71 109.7 174.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -46.06 69.7 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.856 -0.794 . . . . 2.79 108.856 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.491 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 55.6 t -65.55 -52.02 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 N-CA-C 108.865 -0.791 . . . . 1.8 108.865 -178.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -44.12 -61.98 1.3 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 117.103 -1.427 . . . . 3.1800000000000002 110.683 171.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -46.88 -46.44 21.12 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 120.05 1.295 . . . . 1.6000000000000001 111.063 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.75 -51.92 67.71 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.496 0.554 . . . . 1.4199999999999999 112.496 177.468 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.22 -41.76 94.1 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.698 0.799 . . . . 1.96 111.411 -178.563 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -54.68 18.45 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.205 1.002 . . . . 2.8900000000000001 108.674 171.484 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -61.76 -47.53 84.79 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.414 0.149 . . . . 4.7199999999999998 110.817 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.15 -33.44 67.42 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.041 0.937 . . . . 1.6899999999999999 110.973 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.71 45.39 0.38 Allowed Glycine 0 CA--C 1.524 0.597 0 C-N-CA 124.318 0.961 . . . . 0.53000000000000003 111.581 165.631 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -137.17 129.26 29.35 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 117.876 0.838 . . . . 3.3199999999999998 109.247 177.249 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 p -84.39 120.08 25.86 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.786 -1.19 . . . . 2.6600000000000001 107.786 177.138 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 pp -121.16 175.15 6.25 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.93 0.892 . . . . 1.9299999999999999 109.93 171.472 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -130.5 155.93 45.64 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.288 -1.745 . . . . 4.2300000000000004 106.288 161.341 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -84.39 92.26 7.99 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.95 1.3 . . . . 2.6800000000000002 110.944 -174.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.77 167.34 7.6 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 121.756 -0.59 . . . . 2.2799999999999998 111.874 -173.141 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 C-N-CA 124.073 0.949 . . . . 5.2699999999999996 109.405 160.087 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.7 m . . . . . 0 CA--C 1.515 -0.382 0 CA-C-O 121.363 0.602 . . . . 2.0499999999999998 111.953 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -99.03 120.41 39.42 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 126.442 1.897 . . . . 4.0800000000000001 109.468 -177.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.469 ' CD1' ' HD2' ' A' ' 53' ' ' ARG . 22.5 m-85 -118.61 123.83 45.96 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.106 1.15 . . . . 3.8500000000000001 114.106 173.656 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.8 m -99.12 157.29 16.46 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.551 0.574 . . . . 2.4500000000000002 112.551 -178.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.541 ' CZ2' ' NE ' ' A' ' 53' ' ' ARG . 19.8 m-90 -138.69 157.04 46.85 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.249 1.42 . . . . 2.8700000000000001 110.165 167.055 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -113.85 94.83 5.01 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.669 -2.345 . . . . 3.54 104.669 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.1 t -95.93 155.28 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.44 -0.948 . . . . 1.8500000000000001 108.44 -166.812 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 t -140.67 99.98 3.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.157 -1.423 . . . . 1.52 107.157 179.053 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.64 -12.26 1.52 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.825 1.679 . . . . 1.1499999999999999 114.389 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -102.61 102.52 12.75 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 120.088 1.944 . . . . 3.0 110.656 -179.28 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -138.92 3.52 2.23 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.042 -1.036 . . . . 4.4299999999999997 113.609 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.7 t -109.85 -90.87 0.46 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.247 1.019 . . . . 2.2200000000000002 112.466 -165.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.78 -62.8 0.01 OUTLIER 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.559 1.143 . . . . 2.29 109.439 -177.415 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.11 -34.45 60.3 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.896 -0.503 . . . . 2.1200000000000001 111.279 177.012 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -69.51 -36.51 76.51 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.45 1.5 . . . . 4.04 109.587 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.13 -43.13 92.95 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.549 -0.908 . . . . 1.6000000000000001 108.549 177.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -60.21 -50.31 74.17 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 119.515 -0.874 . . . . 4.2000000000000002 109.636 173.613 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -51.22 -42.15 60.76 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.216 -0.927 . . . . 4.3200000000000003 112.127 177.397 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.45 -62.29 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 120.142 1.337 . . . . 1.78 109.952 172.718 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.01 -45.04 95.35 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 107.134 -1.432 . . . . 1.95 107.134 -165.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -61.63 -43.35 99.03 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.887 0.875 . . . . 0.63 110.359 178.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.97 -25.26 66.72 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.672 0.669 . . . . 1.95 112.325 173.677 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.2 t -83.49 -37.94 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.936 0.894 . . . . 2.8199999999999998 110.111 172.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -70.34 -37.11 74.59 Favored 'General case' 0 C--O 1.227 -0.085 0 O-C-N 120.257 -1.527 . . . . 3.4199999999999999 110.321 -174.115 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -58.77 -18.73 34.44 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.328 0.862 . . . . 0.88 113.328 -175.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.12 -89.22 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.869 0.868 . . . . 1.72 111.779 -174.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 159.98 -54.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 128.576 2.75 . . . . 1.71 108.332 -178.048 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.07 -3.43 89.51 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.584 -0.734 . . . . 0.81999999999999995 114.227 -168.291 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.7 t -79.24 143.45 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.917 -1.142 . . . . 1.8200000000000001 107.917 176.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -110.39 -48.4 3.17 Favored 'General case' 0 C--N 1.338 0.101 0 N-CA-C 109.271 -0.64 . . . . 3.3399999999999999 109.271 168.788 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -139.47 158.32 44.33 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.838 0.855 . . . . 2.8799999999999999 108.694 -176.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.9 p -143.38 136.43 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 124.779 1.231 . . . . 2.8900000000000001 108.616 -179.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -112.64 91.54 3.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 127.202 2.201 . . . . 2.0899999999999999 108.778 171.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.53 114.93 28.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 105.563 -2.014 . . . . 2.6699999999999999 105.563 169.287 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.1 tp -125.63 112.18 15.85 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.563 -0.71 . . . . 1.5600000000000001 109.243 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.0 167.71 2.17 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.029 0.932 . . . . 3.2799999999999998 112.238 170.435 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.85 -55.28 0.67 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.917 2.087 . . . . 2.2799999999999998 111.374 175.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -62.53 -34.13 76.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.539 -0.912 . . . . 2.23 108.539 160.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 59.2 45.27 14.54 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.466 1.506 . . . . 4.8099999999999996 109.193 -176.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.25 139.38 34.99 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.231 -1.804 . . . . 2.3700000000000001 108.505 -177.182 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.258 0.4 OUTLIER -96.98 143.87 27.43 Favored 'General case' 0 CA--C 1.491 -1.301 0 N-CA-C 106.251 -1.759 . . . . 2.9399999999999999 106.251 160.688 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 t -138.39 133.62 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 106.642 -1.614 . . . . 1.6599999999999999 106.642 149.073 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 t -118.51 110.42 30.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 126.504 1.922 . . . . 2.2400000000000002 108.071 179.198 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -98.61 104.63 16.68 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 106.115 -1.809 . . . . 2.4700000000000002 106.115 178.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.32 138.03 39.56 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.741 1.216 . . . . 1.6299999999999999 110.57 -166.459 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -87.97 55.63 3.54 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.91 -0.494 . . . . 3.04 111.048 -170.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 154.75 152.28 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 126.144 1.777 . . . . 1.77 107.564 -166.233 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -74.24 121.2 20.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.295 -1.002 . . . . 3.1899999999999999 108.295 163.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 pp -134.06 19.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 124.544 1.138 . . . . 1.8500000000000001 108.641 167.578 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.541 ' NE ' ' CZ2' ' A' ' 8' ' ' TRP . 28.0 mtp180 -65.65 -46.39 79.36 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 120.393 -1.442 . . . . 4.71 111.535 -161.02 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.61 -29.04 1.64 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.214 1.005 . . . . 1.8200000000000001 110.14 174.562 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -74.99 -48.28 24.99 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.476 -0.935 . . . . 3.0899999999999999 108.476 -178.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.5 t -58.01 -55.6 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.187 0.595 . . . . 1.8799999999999999 109.956 174.182 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -50.07 -53.95 23.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.736 1.214 . . . . 3.23 110.405 177.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -55.85 -48.74 74.98 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.653 1.115 . . . . 1.1899999999999999 109.801 176.645 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.98 -47.14 68.43 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 123.036 0.534 . . . . 1.3999999999999999 112.004 179.25 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.37 -46.78 75.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.884 1.273 . . . . 2.1000000000000001 108.743 -178.135 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -48.72 -51.92 26.27 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.944 -1.025 . . . . 2.4399999999999999 111.281 172.418 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -67.76 -41.96 82.53 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.979 -0.451 . . . . 8.9399999999999995 111.333 179.374 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.73 79.69 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 123.942 0.897 . . . . 1.6799999999999999 110.643 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.98 50.89 0.09 OUTLIER Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.252 -0.739 . . . . 0.82999999999999996 111.252 169.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -132.55 -179.25 5.33 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.681 -0.859 . . . . 3.6800000000000002 108.681 171.449 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.9 p -142.43 135.24 28.29 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 105.001 -2.222 . . . . 2.71 105.001 172.101 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.08 169.24 22.32 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.283 1.433 . . . . 4.3099999999999996 107.217 179.231 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -141.55 116.87 10.11 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 102.811 -3.033 . . . . 4.3899999999999997 102.811 -174.135 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -28.01 102.37 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.843 1.657 . . . . 3.3300000000000001 113.332 174.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.18 179.02 7.86 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.971 -1.122 . . . . 3.73 107.971 176.014 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 121.62 0.724 . . . . 5.2199999999999998 110.349 167.995 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 107.326 -1.361 . . . . 2.54 107.326 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -108.78 139.64 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.632 0.773 . . . . 5.1200000000000001 110.335 -177.404 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.596 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 14.9 m-85 -129.29 130.11 45.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.612 1.165 . . . . 3.1000000000000001 111.158 176.545 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -100.28 145.83 27.64 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.98 1.712 . . . . 2.75 110.197 175.155 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.596 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -139.85 162.11 35.96 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.003 0.921 . . . . 1.1100000000000001 110.688 163.076 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -113.03 94.66 5.0 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.164 1.786 . . . . 3.0600000000000001 107.923 -173.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.93 124.58 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 118.777 0.717 . . . . 2.0699999999999998 110.019 -167.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -117.17 108.81 16.13 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.648 -1.612 . . . . 1.8899999999999999 106.648 170.345 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.42 -29.25 1.77 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.902 -0.879 . . . . 1.1399999999999999 110.902 172.482 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.21 81.09 0.72 Allowed 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.045 -0.724 . . . . 6.5499999999999998 109.045 174.626 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 10.4 m-20 -141.32 69.06 1.33 Allowed 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 123.475 0.484 . . . . 5.1900000000000004 110.144 -176.25 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.5 t -150.06 -95.83 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.438 0.295 . . . . 3.3799999999999999 110.315 172.331 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.68 -66.96 0.03 OUTLIER 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 124.236 1.014 . . . . 3.0299999999999998 108.856 178.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.08 -19.21 61.16 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.543 -0.723 . . . . 2.3700000000000001 112.103 174.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 m -68.74 -25.89 64.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.539 1.136 . . . . 3.1499999999999999 109.186 175.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.67 -49.46 73.12 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.599 -0.519 . . . . 1.71 109.599 171.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -58.46 -42.46 87.52 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 120.124 -0.631 . . . . 3.5099999999999998 110.458 176.667 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -45.32 -44.06 11.29 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.447 1.021 . . . . 3.9700000000000002 112.093 173.259 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.75 -60.65 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 119.585 1.084 . . . . 2.0800000000000001 110.81 177.104 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.11 -38.46 86.4 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 106.871 -1.529 . . . . 2.0600000000000001 106.871 -168.392 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -70.17 -38.88 75.52 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.212 -0.93 . . . . 0.58999999999999997 110.616 -179.03 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 -25.6 27.46 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.996 0.918 . . . . 1.8300000000000001 112.058 172.288 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.3 m -103.91 -37.4 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 113.296 0.85 . . . . 3.23 113.296 177.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.06 -28.95 63.02 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 120.942 -1.099 . . . . 3.1299999999999999 109.998 178.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.22 -13.07 61.97 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.758 1.022 . . . . 0.65000000000000002 113.758 177.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -115.5 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.051 0.941 . . . . 1.96 109.279 -178.712 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.38 -48.09 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 124.627 1.171 . . . . 1.6799999999999999 108.394 -179.281 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.62 -22.57 77.02 Favored Glycine 0 CA--C 1.529 0.906 0 CA-C-N 115.799 -0.637 . . . . 0.54000000000000004 113.021 -174.652 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.1 t -50.23 139.43 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 124.584 1.154 . . . . 1.97 111.949 174.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -123.57 -60.8 1.44 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.849 0.859 . . . . 3.5099999999999998 112.152 172.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -138.24 76.96 1.6 Allowed 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.147 1.339 . . . . 2.6600000000000001 111.924 -162.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.6 t -82.37 145.67 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 124.621 1.168 . . . . 4.0800000000000001 109.38 -171.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.65 103.19 4.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 122.245 1.021 . . . . 2.5699999999999998 109.676 175.373 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 t -92.6 106.03 17.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 126.336 1.854 . . . . 3.23 107.733 178.198 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.9 tp -99.86 75.87 1.92 Allowed 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.755 1.264 . . . . 1.7 107.606 178.098 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.4 t80 -60.23 103.71 0.25 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.084 -1.416 . . . . 4.6100000000000003 107.383 163.535 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 142.8 -29.49 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 129.19 2.996 . . . . 2.98 110.019 -177.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -124.19 38.25 4.23 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.368 -0.604 . . . . 2.2799999999999998 109.368 177.276 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 35.75 27.94 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 128.556 2.742 . . . . 5.7699999999999996 115.003 179.248 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.44 124.31 51.52 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.547 -0.909 . . . . 2.4399999999999999 108.547 -163.741 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.3 123.65 41.18 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 104.532 -2.396 . . . . 2.54 104.532 165.854 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 t -126.71 133.24 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 118.837 0.744 . . . . 1.6200000000000001 111.012 159.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.0 t -125.83 117.96 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 N-CA-C 106.832 -1.544 . . . . 1.6200000000000001 106.832 177.482 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.93 118.83 36.58 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 106.648 -1.612 . . . . 2.2999999999999998 106.648 171.076 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.53 144.26 31.24 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.528 1.931 . . . . 1.54 111.568 -170.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.32 56.76 3.48 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.17 0.988 . . . . 2.1099999999999999 109.882 178.734 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.0 168.4 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 127.486 2.314 . . . . 1.73 106.896 175.824 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.45 130.54 34.76 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 119.87 1.214 . . . . 3.3799999999999999 108.921 164.17 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.89 29.97 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 O-C-N 123.578 0.549 . . . . 1.8500000000000001 109.591 171.294 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mtm-85 -64.98 -49.48 70.1 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.679 -1.263 . . . . 3.8500000000000001 111.342 -167.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.54 -32.77 69.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 123.817 0.698 . . . . 1.6200000000000001 110.188 173.161 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.9 -46.45 68.3 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 119.871 -0.732 . . . . 3.54 109.643 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.524 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 42.5 t -66.49 -52.35 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 N-CA-C 107.884 -1.154 . . . . 1.7 107.884 -178.467 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -46.98 -56.47 6.35 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 118.264 -0.874 . . . . 2.8399999999999999 111.704 176.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -47.9 -42.63 27.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.816 0.735 . . . . 1.29 111.138 177.457 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.34 -45.15 66.72 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.42 -0.8 . . . . 1.7 110.558 -176.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mp -64.25 -42.77 96.36 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.368 0.604 . . . . 2.9700000000000002 110.417 179.046 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -49.73 75.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.816 -0.629 . . . . 2.1899999999999999 109.686 175.732 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.09 -37.85 88.83 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.45 -0.157 . . . . 5.8300000000000001 111.418 178.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.07 85.65 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.842 0.857 . . . . 1.77 110.183 176.44 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.41 41.97 0.28 Allowed Glycine 0 CA--C 1.523 0.567 0 C-N-CA 124.363 0.983 . . . . 0.62 111.624 168.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -116.63 166.56 11.97 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 117.585 0.692 . . . . 3.5600000000000001 110.054 174.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -118.81 131.41 56.09 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 105.438 -2.06 . . . . 2.04 105.438 171.132 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 pp -142.27 170.99 14.68 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 124.232 0.958 . . . . 1.96 108.623 175.337 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -134.91 126.55 28.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 104.02 -2.585 . . . . 4.5800000000000001 104.02 175.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -52.83 114.39 1.4 Allowed 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.124 0.97 . . . . 3.02 108.429 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.24 167.11 11.56 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 114.773 -1.103 . . . . 2.4100000000000001 108.692 -179.106 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 CA--C 1.539 0.552 0 CA-C-N 114.854 -1.066 . . . . 4.8600000000000003 110.901 169.248 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 107.696 -1.224 . . . . 2.27 107.696 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -99.24 141.49 31.94 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.883 -1.053 . . . . 4.5800000000000001 109.332 178.45 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.544 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 13.0 m-85 -124.16 123.8 41.08 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 125.966 1.706 . . . . 3.2799999999999998 108.94 171.841 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.475 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 11.2 t -99.57 158.48 15.72 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.913 0.758 . . . . 3.1200000000000001 109.144 169.652 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.544 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -134.76 167.4 20.93 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 126.65 1.98 . . . . 1.1599999999999999 107.158 163.33 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -112.01 127.82 56.0 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 105.488 -2.042 . . . . 2.8300000000000001 105.488 161.456 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.58 164.45 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 124.732 1.213 . . . . 1.5900000000000001 109.834 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -145.45 115.73 7.52 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.187 -1.042 . . . . 2.02 108.187 164.507 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.96 -37.98 1.07 Allowed Glycine 0 CA--C 1.528 0.865 0 O-C-N 123.524 0.515 . . . . 0.80000000000000004 112.429 169.266 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -68.52 -25.05 64.75 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 116.707 2.114 . . . . 3.3100000000000001 116.707 -162.051 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -51.34 77.66 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.418 1.887 . . . . 2.8999999999999999 115.406 -165.318 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.7 m -143.51 -96.99 0.11 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.954 1.701 . . . . 2.7200000000000002 110.531 176.358 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.86 -68.13 0.03 OUTLIER 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.701 1.2 . . . . 2.3799999999999999 109.185 -178.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.23 -31.63 44.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.591 0.757 . . . . 1.8300000000000001 112.086 177.153 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.3 m -68.73 -33.87 74.65 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.914 -0.773 . . . . 2.5499999999999998 108.914 -178.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.71 84.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.752 -0.833 . . . . 2.02 108.752 175.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -58.75 -53.13 61.86 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 109.702 -0.481 . . . . 5.5899999999999999 109.702 175.479 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -46.17 -47.07 17.69 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 120.345 -0.542 . . . . 4.1200000000000001 111.666 177.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.55 -58.22 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 118.656 0.662 . . . . 1.79 112.571 176.464 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -59.56 -41.46 90.23 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 107.757 -1.201 . . . . 2.25 107.757 -171.734 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -63.88 -38.83 92.55 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.081 -1.012 . . . . 0.77000000000000002 110.813 176.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.2 -28.74 19.5 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.705 0.802 . . . . 1.6299999999999999 111.976 173.039 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.6 m -98.55 -41.12 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 112.432 0.53 . . . . 3.3399999999999999 112.432 178.5 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -59.73 -29.95 68.49 Favored 'General case' 0 N--CA 1.462 0.136 0 O-C-N 121.692 -0.63 . . . . 4.8600000000000003 110.131 -177.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.53 -14.09 62.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.891 1.071 . . . . 0.70999999999999996 113.891 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.62 -116.07 0.0 OUTLIER 'General case' 0 C--N 1.343 0.306 0 CA-C-N 118.999 0.818 . . . . 2.21 110.441 178.391 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.1 -49.32 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.177 0 N-CA-C 109.109 -0.7 . . . . 1.5800000000000001 109.109 -177.149 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.35 -14.66 75.97 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 115.652 -0.704 . . . . 0.44 113.017 -175.368 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.31 132.74 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.952 0.901 . . . . 1.76 109.074 169.224 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -111.19 -61.2 1.73 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.908 -1.145 . . . . 2.2799999999999998 107.908 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -119.3 159.8 23.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.983 1.713 . . . . 3.0299999999999998 107.499 -176.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.33 138.87 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.402 1.081 . . . . 2.7000000000000002 108.651 -178.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -126.27 95.12 4.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.337 1.455 . . . . 2.2200000000000002 108.796 174.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.3 t -92.92 103.47 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 107.006 -1.479 . . . . 3.2000000000000002 107.006 169.141 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.4 tp -113.52 103.9 11.72 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.66 -1.237 . . . . 1.6299999999999999 107.66 178.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.53 163.6 5.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.712 0.405 . . . . 4.4400000000000004 111.595 175.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.45 -43.15 0.45 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.556 2.342 . . . . 2.0899999999999999 110.875 173.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.1 m -67.8 -30.05 69.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.209 0.603 . . . . 2.27 109.434 162.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 50.72 33.99 9.25 Favored 'General case' 0 C--N 1.344 0.338 0 C-N-CA 124.963 1.305 . . . . 4.1699999999999999 111.703 -173.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -88.35 137.54 32.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.384 -2.08 . . . . 2.5499999999999998 105.384 169.522 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.45 116.53 27.84 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 117.601 -1.19 . . . . 2.0899999999999999 108.555 168.172 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.91 138.55 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 O-C-N 123.985 0.803 . . . . 1.72 110.517 170.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 81.1 t -128.67 126.37 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 C-N-CA 125.789 1.636 . . . . 1.79 106.886 172.245 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.68 108.49 18.4 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.076 -1.824 . . . . 2.25 106.076 -177.547 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.99 140.42 34.35 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.737 1.215 . . . . 1.6200000000000001 112.545 -161.07 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.59 63.53 4.76 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.873 0.869 . . . . 2.21 109.529 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 161.03 160.08 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 129.595 3.158 . . . . 1.79 106.98 173.596 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -82.93 124.28 30.21 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.731 1.213 . . . . 4.0300000000000002 109.659 175.31 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 pp -145.2 25.04 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 118.806 0.73 . . . . 1.75 111.606 -178.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -59.4 -46.41 88.77 Favored 'General case' 0 CA--C 1.511 -0.557 0 O-C-N 121.264 -0.897 . . . . 3.3300000000000001 111.281 -174.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.59 -32.57 70.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 123.974 0.796 . . . . 1.3899999999999999 109.848 177.064 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -49.2 61.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.815 -0.809 . . . . 3.0 108.815 179.569 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.479 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 86.3 t -66.31 -48.2 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 N-CA-C 108.711 -0.848 . . . . 1.77 108.711 -175.697 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -48.38 -54.8 12.66 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 117.844 -1.074 . . . . 2.5299999999999998 112.178 170.593 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -53.32 -49.3 67.35 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.734 1.152 . . . . 1.3999999999999999 109.351 -179.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.58 89.13 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.139 0.422 . . . . 1.4399999999999999 112.139 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 mt -68.66 -40.29 80.24 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.798 0.839 . . . . 2.2000000000000002 109.632 -177.197 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -54.27 34.0 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.377 -0.828 . . . . 2.9500000000000002 110.059 170.246 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -64.13 -39.69 94.58 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.033 -0.417 . . . . 8.1099999999999994 111.585 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.47 70.56 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.356 0.662 . . . . 1.53 110.715 176.345 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.83 44.25 0.9 Allowed Glycine 0 C--N 1.336 0.536 0 C-N-CA 124.124 0.869 . . . . 0.58999999999999997 111.322 168.273 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -124.8 141.88 51.81 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.061 -1.089 . . . . 3.4399999999999999 108.061 169.416 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.1 m -83.92 138.89 32.94 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 106.853 -1.536 . . . . 2.1499999999999999 106.853 166.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 pp -135.45 175.85 9.21 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.466 -0.568 . . . . 2.0600000000000001 109.466 168.412 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -126.98 132.45 50.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 105.042 -2.207 . . . . 4.29 105.042 155.504 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.37 142.94 55.31 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.329 -1.73 . . . . 2.7999999999999998 106.329 175.39 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -106.43 172.58 6.74 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 113.435 -1.711 . . . . 2.6099999999999999 111.774 177.073 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 C--O 1.238 0.479 0 CA-C-N 113.847 -1.524 . . . . 4.3799999999999999 111.036 175.873 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 113.677 0.992 . . . . 6.1600000000000001 113.677 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.34 113.81 1.66 Allowed Glycine 0 C--N 1.336 0.574 0 C-N-CA 124.113 0.863 . . . . 2.1899999999999999 111.616 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.0 m -122.71 144.74 48.96 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.665 -0.865 . . . . 1.6899999999999999 108.665 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -99.14 113.51 25.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.362 -1.29 . . . . 6.4900000000000002 109.587 -174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.6 m-85 -98.1 141.63 30.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.784 1.234 . . . . 3.48 112.076 172.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 4.7 m -123.38 151.57 42.43 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 123.607 0.763 . . . . 2.8300000000000001 110.506 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.492 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -140.31 159.22 42.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 1.1799999999999999 109.506 171.414 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -110.66 120.19 41.6 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.379 -2.082 . . . . 2.54 105.379 172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.38 160.06 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.311 1.044 . . . . 1.8 109.357 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.74 113.81 15.19 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.636 -1.246 . . . . 1.9199999999999999 107.636 166.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -26.19 2.97 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.543 2.021 . . . . 0.89000000000000001 112.628 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.36 77.23 8.26 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.184 -1.186 . . . . 2.8999999999999999 112.288 -168.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -142.56 69.13 1.31 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.786 0.803 . . . . 3.4399999999999999 110.669 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -162.96 149.57 12.6 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.804 -0.56 . . . . 2.29 111.104 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 63.71 3.0 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.565 0.95 . . . . 2.9199999999999999 113.565 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.6 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 127.172 2.189 . . . . 2.0099999999999998 109.383 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -68.22 -31.71 71.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.879 -0.786 . . . . 3.1800000000000002 108.879 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.48 -47.02 80.12 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.502 -0.479 . . . . 1.6299999999999999 111.249 172.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 -63.58 -53.24 54.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.45 -0.945 . . . . 4.6600000000000001 108.45 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.04 -37.75 54.64 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.446 -0.784 . . . . 5.2199999999999998 111.991 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.51 -61.87 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.286 0.634 . . . . 1.8200000000000001 110.873 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.67 -41.44 97.55 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 119.461 1.028 . . . . 1.77 108.444 -171.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -62.85 -34.86 78.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.405 1.082 . . . . 0.54000000000000004 110.745 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.8 -24.76 53.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.442 0.565 . . . . 1.53 112.225 168.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -95.07 -44.78 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.642 1.177 . . . . 2.7799999999999998 111.141 177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -61.36 -29.87 70.17 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.376 -1.452 . . . . 3.75 110.18 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.62 -12.21 21.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.978 1.103 . . . . 0.63 113.978 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.87 -119.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.165 0.893 . . . . 1.72 109.276 176.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.21 -48.91 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.498 -0.751 . . . . 1.5 109.36 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.88 -20.62 79.74 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 115.662 -0.699 . . . . 0.46000000000000002 112.407 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.85 134.21 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.083 -0.71 . . . . 1.8300000000000001 109.083 174.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.84 21.37 1.97 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.557 0.577 . . . . 2.6499999999999999 112.557 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -178.99 143.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.821 2.048 . . . . 2.3599999999999999 106.008 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.38 138.46 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.056 1.342 . . . . 3.9399999999999999 108.398 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -131.82 87.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.577 1.151 . . . . 2.2400000000000002 108.663 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.19 109.71 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.068 1.347 . . . . 2.9100000000000001 107.524 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.8 tp -112.33 116.17 29.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.933 0.893 . . . . 1.79 109.141 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -62.37 167.61 4.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.198 0.599 . . . . 3.7999999999999998 111.669 170.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.33 -50.43 0.55 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 127.04 2.136 . . . . 2.25 112.643 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -71.7 -26.11 62.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.45 -0.781 . . . . 2.1299999999999999 109.429 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 57.54 38.62 28.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 122.678 1.227 . . . . 4.2300000000000004 108.993 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.77 128.08 54.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 106.409 -1.7 . . . . 2.6499999999999999 106.409 -171.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.98 139.07 36.18 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 107.971 -1.122 . . . . 2.2599999999999998 107.971 -178.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 t -130.13 147.86 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 O-C-N 124.412 1.07 . . . . 1.8100000000000001 110.237 160.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.1 t -138.56 120.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.945 1.698 . . . . 1.6000000000000001 106.635 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.35 113.36 26.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.45 -1.685 . . . . 2.2599999999999998 106.45 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.26 140.09 35.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.238 0.615 . . . . 1.5600000000000001 109.422 -173.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 58.01 4.81 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.385 -0.598 . . . . 1.8999999999999999 109.385 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.21 151.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.313 2.245 . . . . 1.77 109.009 178.111 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.425 ' OD2' ' NH1' ' A' ' 53' ' ' ARG . 14.3 t0 -70.67 125.08 25.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.562 -0.903 . . . . 3.2999999999999998 108.562 169.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.8 27.19 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.547 -0.909 . . . . 1.72 108.547 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 49.6 mtm-85 -63.59 -43.76 96.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 121.149 -0.97 . . . . 3.46 111.2 -169.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -32.43 68.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.694 0.621 . . . . 1.8400000000000001 109.672 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -45.16 57.97 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.816 -0.809 . . . . 2.9500000000000002 108.816 -177.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 99.2 t -65.51 -47.43 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.737 -0.838 . . . . 1.8300000000000001 108.737 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -46.84 -59.54 3.0 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.793 -1.099 . . . . 2.3799999999999999 111.45 170.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -48.6 -43.81 36.45 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.704 1.138 . . . . 1.6299999999999999 110.318 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.28 -48.81 80.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.377 0.671 . . . . 1.72 112.467 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.2 mt -71.31 -38.66 71.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.166 0.986 . . . . 2.1200000000000001 110.286 -175.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -58.07 7.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.405 -0.816 . . . . 2.6600000000000001 110.522 166.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -60.89 -35.3 76.29 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.998 1.272 . . . . 6.1399999999999997 111.609 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -20.51 66.38 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.926 0.49 . . . . 1.5700000000000001 111.801 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.68 37.71 3.89 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.413 1.006 . . . . 0.66000000000000003 111.541 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -127.6 122.96 34.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.626 0.713 . . . . 3.4100000000000001 109.177 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m -81.39 114.31 20.07 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.976 -1.49 . . . . 2.48 106.976 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 pp -110.52 -179.61 3.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.311 0.644 . . . . 2.1200000000000001 110.979 173.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.61 128.63 37.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.003 -2.221 . . . . 3.8700000000000001 105.003 163.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 115.65 5.27 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 125.486 1.515 . . . . 3.6699999999999999 107.372 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -90.88 165.21 13.72 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 123.11 1.433 . . . . 2.7799999999999998 112.373 174.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -63.75 169.71 3.88 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 113.25 -1.795 . . . . 7.29 110.889 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.86 56.35 3.39 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.871 0.868 . . . . 2.4199999999999999 110.281 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 61.55 55.96 2.65 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.67 1.188 . . . . 2.3300000000000001 109.531 -164.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--O 1.256 1.413 0 CA-C-O 115.681 -2.105 . . . . 5.3200000000000003 108.395 -165.909 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 113.677 0.992 . . . . 6.1600000000000001 113.677 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.34 113.81 1.66 Allowed Glycine 0 C--N 1.336 0.574 0 C-N-CA 124.113 0.863 . . . . 2.1899999999999999 111.616 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.0 m -122.71 144.74 48.96 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.665 -0.865 . . . . 1.6899999999999999 108.665 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -99.14 113.51 25.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.362 -1.29 . . . . 6.4900000000000002 109.587 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.6 m-85 -98.1 141.63 30.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.784 1.234 . . . . 3.48 112.076 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 4.7 m -123.38 151.57 42.43 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 123.607 0.763 . . . . 2.8300000000000001 110.506 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.492 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.2 OUTLIER -140.31 159.22 42.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 1.1799999999999999 109.506 171.414 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.7 mtpt -110.66 120.19 41.6 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.379 -2.082 . . . . 2.54 105.379 172.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.38 160.06 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.311 1.044 . . . . 1.8 109.357 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.74 113.81 15.19 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.636 -1.246 . . . . 1.9199999999999999 107.636 166.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -26.19 2.97 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.543 2.021 . . . . 0.89000000000000001 112.628 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.36 77.23 8.26 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.184 -1.186 . . . . 2.8999999999999999 112.288 -168.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -142.56 69.13 1.31 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.786 0.803 . . . . 3.4399999999999999 110.669 166.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -162.96 149.57 12.6 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.804 -0.56 . . . . 2.29 111.104 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 63.71 3.0 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.565 0.95 . . . . 2.9199999999999999 113.565 -169.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.6 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 127.172 2.189 . . . . 2.0099999999999998 109.383 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -68.22 -31.71 71.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.879 -0.786 . . . . 3.1800000000000002 108.879 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.48 -47.02 80.12 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.502 -0.479 . . . . 1.6299999999999999 111.249 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.2 mtt85 -63.58 -53.24 54.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.45 -0.945 . . . . 4.6600000000000001 108.45 178.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.04 -37.75 54.64 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.446 -0.784 . . . . 5.2199999999999998 111.991 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.51 -61.87 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.286 0.634 . . . . 1.8200000000000001 110.873 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -61.67 -41.44 97.55 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 119.461 1.028 . . . . 1.77 108.444 -171.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -62.85 -34.86 78.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.405 1.082 . . . . 0.54000000000000004 110.745 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.8 -24.76 53.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.442 0.565 . . . . 1.53 112.225 168.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -95.07 -44.78 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.642 1.177 . . . . 2.7799999999999998 111.141 177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -61.36 -29.87 70.17 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.376 -1.452 . . . . 3.75 110.18 -173.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.62 -12.21 21.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.978 1.103 . . . . 0.63 113.978 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.87 -119.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.165 0.893 . . . . 1.72 109.276 176.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.21 -48.91 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.498 -0.751 . . . . 1.5 109.36 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.88 -20.62 79.74 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 115.662 -0.699 . . . . 0.46000000000000002 112.407 -176.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.85 134.21 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.083 -0.71 . . . . 1.8300000000000001 109.083 174.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.84 21.37 1.97 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.557 0.577 . . . . 2.6499999999999999 112.557 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -178.99 143.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.821 2.048 . . . . 2.3599999999999999 106.008 174.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.38 138.46 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.056 1.342 . . . . 3.9399999999999999 108.398 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -131.82 87.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.577 1.151 . . . . 2.2400000000000002 108.663 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.19 109.71 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.068 1.347 . . . . 2.9100000000000001 107.524 173.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.8 tp -112.33 116.17 29.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.933 0.893 . . . . 1.79 109.141 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -62.37 167.61 4.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.198 0.599 . . . . 3.7999999999999998 111.669 170.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.33 -50.43 0.55 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 127.04 2.136 . . . . 2.25 112.643 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -71.7 -26.11 62.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.45 -0.781 . . . . 2.1299999999999999 109.429 171.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 57.54 38.62 28.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 122.678 1.227 . . . . 4.2300000000000004 108.993 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.77 128.08 54.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 106.409 -1.7 . . . . 2.6499999999999999 106.409 -171.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.98 139.07 36.18 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 107.971 -1.122 . . . . 2.2599999999999998 107.971 -178.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 t -130.13 147.86 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 O-C-N 124.412 1.07 . . . . 1.8100000000000001 110.237 160.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.1 t -138.56 120.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.945 1.698 . . . . 1.6000000000000001 106.635 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.35 113.36 26.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.45 -1.685 . . . . 2.2599999999999998 106.45 175.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.26 140.09 35.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.238 0.615 . . . . 1.5600000000000001 109.422 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 58.01 4.81 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.385 -0.598 . . . . 1.8999999999999999 109.385 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.21 151.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.313 2.245 . . . . 1.77 109.009 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.425 ' OD2' ' NH1' ' A' ' 53' ' ' ARG . 14.3 t0 -70.67 125.08 25.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.562 -0.903 . . . . 3.2999999999999998 108.562 169.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.8 27.19 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.547 -0.909 . . . . 1.72 108.547 169.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 49.6 mtm-85 -63.59 -43.76 96.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 121.149 -0.97 . . . . 3.46 111.2 -169.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -32.43 68.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.694 0.621 . . . . 1.8400000000000001 109.672 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -45.16 57.97 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.816 -0.809 . . . . 2.9500000000000002 108.816 -177.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.452 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 99.2 t -65.51 -47.43 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.737 -0.838 . . . . 1.8300000000000001 108.737 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -46.84 -59.54 3.0 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.793 -1.099 . . . . 2.3799999999999999 111.45 170.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -48.6 -43.81 36.45 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.704 1.138 . . . . 1.6299999999999999 110.318 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.28 -48.81 80.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.377 0.671 . . . . 1.72 112.467 177.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 52.2 mt -71.31 -38.66 71.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.166 0.986 . . . . 2.1200000000000001 110.286 -175.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -58.07 7.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.405 -0.816 . . . . 2.6600000000000001 110.522 166.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -60.89 -35.3 76.29 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.998 1.272 . . . . 6.1399999999999997 111.609 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -20.51 66.38 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.926 0.49 . . . . 1.5700000000000001 111.801 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.68 37.71 3.89 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.413 1.006 . . . . 0.66000000000000003 111.541 172.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -127.6 122.96 34.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.626 0.713 . . . . 3.4100000000000001 109.177 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m -81.39 114.31 20.07 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.976 -1.49 . . . . 2.48 106.976 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 pp -110.52 -179.61 3.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.311 0.644 . . . . 2.1200000000000001 110.979 173.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.61 128.63 37.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.003 -2.221 . . . . 3.8700000000000001 105.003 163.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 115.65 5.27 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 125.486 1.515 . . . . 3.6699999999999999 107.372 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -90.88 165.21 13.72 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 123.11 1.433 . . . . 2.7799999999999998 112.373 174.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -63.75 169.71 3.88 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 113.25 -1.795 . . . . 7.29 110.889 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.86 56.35 3.39 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.871 0.868 . . . . 2.4199999999999999 110.281 -173.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 61.55 55.96 2.65 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.67 1.188 . . . . 2.3300000000000001 109.531 -164.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--O 1.256 1.413 0 CA-C-O 115.681 -2.105 . . . . 5.3200000000000003 108.395 -165.909 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 108.738 -0.838 . . . . 5.8200000000000003 108.738 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.49 133.32 4.76 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.508 -1.437 . . . . 2.3900000000000001 109.508 -176.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 m -141.12 133.9 28.84 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 118.515 1.158 . . . . 1.8799999999999999 109.573 163.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.24 112.25 24.3 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.383 -1.28 . . . . 6.0 107.871 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.55 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 34.0 m-85 -103.78 128.64 51.17 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.627 0.603 . . . . 3.1000000000000001 112.627 169.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.419 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 5.6 m -108.79 149.15 29.47 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.114 0.884 . . . . 2.7200000000000002 110.213 175.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.55 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -135.3 167.24 21.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.164 0.586 . . . . 1.1399999999999999 111.338 166.821 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -117.88 105.92 12.43 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 126.6 1.96 . . . . 3.8399999999999999 106.227 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.8 t -108.2 144.49 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 119.704 1.138 . . . . 1.8300000000000001 108.534 -170.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.9 99.25 5.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.177 -1.046 . . . . 1.52 108.177 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.5 -34.9 0.82 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 123.483 0.563 . . . . 0.76000000000000001 111.698 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.6 ptm -69.79 95.71 0.92 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 122.326 -0.514 . . . . 3.0099999999999998 111.518 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -148.91 82.68 1.45 Allowed 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.908 -0.495 . . . . 2.7400000000000002 109.798 163.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -155.16 -95.57 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.092 0.557 . . . . 2.1600000000000001 110.577 174.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.82 -58.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.206 1.403 . . . . 2.1699999999999999 108.345 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.75 -33.99 50.87 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.787 -0.642 . . . . 2.0699999999999998 110.831 171.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 m -72.26 -41.44 66.73 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.423 -0.954 . . . . 2.6200000000000001 108.423 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.7 -44.02 93.85 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.216 -0.291 . . . . 1.6299999999999999 110.216 177.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -60.51 -55.08 37.71 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 118.589 -1.244 . . . . 4.0499999999999998 109.719 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -49.11 -39.59 28.95 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.544 -0.722 . . . . 4.2800000000000002 112.409 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.1 t -56.53 -62.7 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 118.862 0.755 . . . . 1.71 109.944 170.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.54 -46.45 88.85 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.237 -1.394 . . . . 1.96 107.237 -168.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -61.55 -36.96 82.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.677 1.191 . . . . 0.56000000000000005 110.342 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -22.13 42.54 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.676 0.621 . . . . 1.5800000000000001 112.676 170.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.8 t -95.75 -44.9 13.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.624 1.17 . . . . 2.8100000000000001 110.81 173.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -61.32 -30.77 70.71 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 119.906 -1.746 . . . . 3.0699999999999998 110.69 -173.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -61.92 -14.61 36.09 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 114.126 1.158 . . . . 0.56999999999999995 114.126 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.33 -109.22 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.279 0.945 . . . . 1.6899999999999999 110.303 -178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 176.67 -49.85 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.29 1.436 . . . . 1.6100000000000001 108.642 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.74 -6.65 78.33 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.457 -0.792 . . . . 0.68000000000000005 113.378 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.1 t -75.45 143.97 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 124.72 1.208 . . . . 1.71 109.16 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -114.32 -43.81 3.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 O-C-N 123.166 0.291 . . . . 2.71 110.348 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -161.93 145.22 12.04 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.114 -1.439 . . . . 2.6400000000000001 107.114 -172.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.8 m -139.13 149.06 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.755 -1.202 . . . . 3.4500000000000002 107.755 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -139.16 99.03 3.65 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.016 1.389 . . . . 2.5 109.631 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 m -90.18 122.53 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 127.37 2.268 . . . . 2.4399999999999999 106.717 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 tp -128.04 113.79 16.25 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.946 -1.131 . . . . 1.8100000000000001 107.946 -175.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -67.4 164.21 19.13 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 123.97 0.794 . . . . 4.2999999999999998 111.686 173.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 74.97 -48.3 0.64 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 128.259 2.624 . . . . 2.2999999999999998 110.134 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -24.65 67.92 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.929 0.492 . . . . 2.23 110.171 162.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 50.37 31.45 5.38 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 125.239 1.416 . . . . 3.7999999999999998 111.54 -178.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 131.36 54.48 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.561 -1.2 . . . . 3.8999999999999999 108.567 -172.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.94 133.73 41.2 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 104.413 -2.44 . . . . 3.0 104.413 -178.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 t -132.62 132.85 59.87 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 O-C-N 124.26 0.975 . . . . 1.8899999999999999 110.194 163.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.8 t -130.2 118.25 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 C-N-CA 125.923 1.689 . . . . 1.6599999999999999 106.995 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.14 112.35 24.35 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.219 -1.4 . . . . 2.1899999999999999 107.219 173.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.79 131.77 15.24 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 114.776 -1.102 . . . . 1.6899999999999999 108.877 -169.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.68 56.24 2.63 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.834 -0.802 . . . . 2.2799999999999998 108.834 -168.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 165.69 150.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.487 1.515 . . . . 1.9299999999999999 109.391 -172.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -73.96 103.47 4.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.849 1.66 . . . . 4.3600000000000003 110.817 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.85 26.31 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.808 0.843 . . . . 1.7 111.024 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -67.57 -49.63 62.25 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 120.835 -1.166 . . . . 4.5499999999999998 111.225 -170.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.31 -32.12 62.21 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 124.299 0.999 . . . . 1.3200000000000001 109.099 172.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -46.76 63.28 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 108.067 -1.086 . . . . 2.6000000000000001 108.067 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.481 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 42.9 t -65.84 -50.26 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 CA-C-N 115.74 -0.664 . . . . 1.6399999999999999 109.418 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -44.16 -54.61 5.46 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 117.907 -1.044 . . . . 2.6000000000000001 112.331 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -53.37 -44.35 68.52 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.966 1.257 . . . . 1.3300000000000001 110.507 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.04 88.75 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.202 0.601 . . . . 1.5600000000000001 112.018 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.7 mt -64.49 -44.06 92.17 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.722 -0.844 . . . . 2.1600000000000001 108.722 178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -56.17 13.65 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.279 -0.873 . . . . 2.9500000000000002 110.183 174.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -60.98 -48.58 81.17 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.177 0.436 . . . . 6.7400000000000002 112.177 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.79 -36.33 58.12 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.907 0.883 . . . . 1.71 110.999 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.91 50.91 0.19 Allowed Glycine 0 C--N 1.336 0.576 0 N-CA-C 111.113 -0.795 . . . . 0.73999999999999999 111.113 164.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -134.24 145.42 49.12 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 117.293 0.546 . . . . 3.3700000000000001 110.037 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.4 m -94.12 123.51 37.55 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.119 -1.437 . . . . 2.04 107.119 170.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 pp -135.17 175.16 9.83 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.002 -0.74 . . . . 2.1499999999999999 109.002 168.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -137.22 138.01 39.7 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 103.555 -2.758 . . . . 4.2300000000000004 103.555 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -54.42 100.58 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 122.936 1.35 . . . . 3.1499999999999999 110.807 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.55 174.21 11.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.528 -1.286 . . . . 2.27 107.528 -178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -67.84 174.66 3.5 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.467 -1.396 . . . . 5.1500000000000004 112.897 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.62 -76.01 0.21 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.694 0.798 . . . . 2.0299999999999998 109.295 176.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.04 -47.11 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.092 1.757 . . . . 2.5800000000000001 109.26 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.259 1.578 0 N-CA-C 102.569 -3.122 . . . . 6.1900000000000004 102.569 161.047 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 121.106 0.479 . . . . 5.7000000000000002 110.62 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.72 176.34 11.24 Favored Glycine 0 C--N 1.336 0.554 0 CA-C-O 121.456 0.475 . . . . 2.2599999999999998 112.592 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -98.97 148.82 23.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.578 -0.897 . . . . 1.75 108.578 -176.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -97.6 124.78 42.01 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 107.356 -1.35 . . . . 5.7000000000000002 107.356 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -129.45 142.11 50.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 118.294 -0.86 . . . . 3.8900000000000001 112.181 176.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t -123.57 160.15 27.67 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.377 1.621 . . . . 3.2599999999999998 115.377 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.41 ' CD1' HD11 ' A' ' 67' ' ' LEU . 5.7 m-90 -140.86 147.24 38.64 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 126.012 1.725 . . . . 2.5800000000000001 109.638 172.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.02 97.44 8.59 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 107.481 -1.303 . . . . 4.1699999999999999 107.481 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 t -96.46 100.12 10.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.76 0.791 . . . . 2.2999999999999998 109.69 -163.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -100.14 92.58 5.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 105.618 -1.993 . . . . 1.8400000000000001 105.618 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.56 -36.28 0.47 Allowed Glycine 0 CA--C 1.525 0.658 0 CA-C-N 114.796 -1.093 . . . . 1.1899999999999999 110.597 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.47 101.66 3.01 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.087 -1.045 . . . . 2.8900000000000001 112.282 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.433 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 26.1 t0 -139.21 93.62 2.71 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.192 -0.299 . . . . 3.0899999999999999 110.192 162.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 168.02 145.43 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 126.268 1.827 . . . . 2.3900000000000001 108.817 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 51.49 0.49 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.821 1.248 . . . . 2.4300000000000002 111.798 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.34 -50.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 126.483 1.913 . . . . 2.3300000000000001 107.825 -169.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.4 m -67.64 -37.19 82.1 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 107.578 -1.267 . . . . 2.8599999999999999 107.578 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.73 -50.71 43.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.009 -0.542 . . . . 2.1600000000000001 111.078 166.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -62.01 -42.07 98.75 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 120.862 -1.149 . . . . 4.1299999999999999 110.932 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -45.95 -42.03 12.39 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.154 -0.966 . . . . 3.6000000000000001 112.241 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.0 t -58.47 -64.55 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 118.375 0.534 . . . . 1.6799999999999999 110.208 175.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -58.87 -43.69 90.92 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 106.97 -1.493 . . . . 2.2799999999999998 106.97 -166.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -62.07 -42.44 99.2 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 123.97 0.908 . . . . 0.81000000000000005 110.639 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.05 66.21 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.334 0.515 . . . . 1.8 112.318 172.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.3 t -80.87 -42.08 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.598 0.759 . . . . 2.79 109.857 173.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -66.24 -38.63 88.35 Favored 'General case' 0 N--CA 1.461 0.11 0 O-C-N 120.467 -1.396 . . . . 3.02 111.171 -173.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -57.2 -14.68 4.45 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.48 1.289 . . . . 0.76000000000000001 114.48 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 mt -65.72 -108.63 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.891 0.876 . . . . 2.0800000000000001 111.491 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.99 -51.05 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.615 1.166 . . . . 1.6399999999999999 108.732 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.09 -5.71 87.21 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.449 -0.796 . . . . 0.78000000000000003 113.661 -173.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 37.6 t -74.39 146.51 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 118.371 1.085 . . . . 1.6599999999999999 108.107 174.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.8 -52.13 1.69 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 118.786 -0.626 . . . . 2.46 111.383 171.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -126.94 103.05 7.27 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 119.458 1.026 . . . . 3.3599999999999999 110.243 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 p -82.75 142.51 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 121.283 -0.885 . . . . 2.3599999999999999 108.753 171.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.14 107.98 8.98 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.908 1.283 . . . . 3.1699999999999999 108.183 171.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -98.24 113.93 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 106.633 -1.618 . . . . 2.48 106.633 172.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.6 tp -100.85 82.31 2.39 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 105.607 -1.997 . . . . 1.8600000000000001 105.607 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.433 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 3.4 t80 -69.21 77.75 0.36 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.089 -1.078 . . . . 4.3700000000000001 108.089 170.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -168.94 -62.15 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 126.991 2.117 . . . . 3.4500000000000002 105.971 169.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -93.29 48.85 1.34 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.029 1.332 . . . . 2.3500000000000001 110.106 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 31.49 32.2 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.344 3.058 . . . . 5.4800000000000004 118.086 172.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -121.57 140.68 51.92 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.047 -1.033 . . . . 2.8900000000000001 111.701 -165.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.47 127.28 44.34 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 104.309 -2.478 . . . . 2.7200000000000002 104.309 160.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 p -123.41 118.13 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.708 -1.219 . . . . 3.5099999999999998 107.708 155.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.44 120.66 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 C-N-CA 126.861 2.065 . . . . 2.0899999999999999 109.159 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.47 110.63 23.15 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.15 -1.426 . . . . 2.23 107.15 170.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.36 132.05 39.0 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 114.9 -1.046 . . . . 1.78 109.333 -176.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.8 56.69 3.76 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.403 -0.592 . . . . 2.0699999999999998 109.403 -178.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 157.53 151.82 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 127.601 2.36 . . . . 1.9099999999999999 108.331 -174.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -72.3 129.53 38.64 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 108.795 -0.817 . . . . 3.3399999999999999 108.795 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 pp -141.8 21.07 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 109.026 -0.731 . . . . 1.8100000000000001 109.026 171.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.402 ' HD2' ' CZ2' ' A' ' 8' ' ' TRP . 14.2 mtm-85 -69.94 -37.16 75.8 Favored 'General case' 0 CA--C 1.495 -1.135 0 C-N-CA 117.36 -1.736 . . . . 4.2199999999999998 109.698 -169.002 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.23 -32.9 38.91 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 119.07 0.85 . . . . 2.0800000000000001 109.527 173.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -50.44 18.58 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.126 -0.694 . . . . 2.5 109.126 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.5 t -62.49 -48.14 89.67 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 CA-C-N 116.133 -0.485 . . . . 1.79 110.033 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.9 -52.98 63.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.062 1.345 . . . . 3.02 107.611 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.8 m -46.51 -53.16 11.81 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.605 0.638 . . . . 3.2599999999999998 111.69 170.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.71 96.6 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.912 0.708 . . . . 1.73 112.912 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 61.2 mt -70.02 -43.23 71.77 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.686 1.194 . . . . 2.1600000000000001 108.455 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.33 -51.79 63.6 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.967 -0.753 . . . . 3.6499999999999999 108.967 174.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -58.04 -49.48 76.74 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.187 0.195 . . . . 4.4000000000000004 110.761 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.42 -38.2 68.66 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.036 0.934 . . . . 1.6000000000000001 110.899 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.31 52.67 0.14 Allowed Glycine 0 C--N 1.335 0.507 0 N-CA-C 110.432 -1.067 . . . . 0.68000000000000005 110.432 169.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -128.18 173.52 10.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.711 0.804 . . . . 3.29 109.419 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.7 p -130.81 135.01 47.34 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.091 -1.448 . . . . 2.6499999999999999 107.091 169.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' A' ' 8' ' ' TRP . 2.5 pp -156.23 170.16 22.89 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 126.918 2.087 . . . . 2.1000000000000001 107.919 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -150.17 99.88 2.85 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.249 1.419 . . . . 4.4000000000000004 107.523 -172.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . 0.341 1.3 p-10 -27.64 103.41 0.02 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 114.505 1.298 . . . . 2.7200000000000002 114.505 -167.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -80.79 164.47 22.7 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.377 -1.283 . . . . 3.8799999999999999 108.258 -173.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.71 144.28 33.13 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 113.297 -1.774 . . . . 6.5599999999999996 109.574 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.4 -56.78 17.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.643 -0.873 . . . . 2.1400000000000001 108.643 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -177.37 176.06 1.37 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.457 2.303 . . . . 2.46 105.545 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--O 1.257 1.465 0 N-CA-C 104.278 -2.49 . . . . 5.9100000000000001 104.278 170.837 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 107.004 -1.48 . . . . 6.1100000000000003 107.004 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.03 156.22 9.53 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 125.65 1.595 . . . . 3.0 109.882 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 m -142.0 142.47 32.93 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 121.463 -1.022 . . . . 1.8200000000000001 109.924 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -95.2 124.69 39.38 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 106.954 -1.499 . . . . 3.8599999999999999 106.954 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 12.1 m-85 -105.78 140.99 37.97 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 126.44 1.896 . . . . 3.1699999999999999 113.507 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.435 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 9.2 m -115.95 145.19 43.13 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.196 0.998 . . . . 2.75 111.088 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 1.3 m-90 -132.41 164.97 25.35 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.579 1.152 . . . . 1.21 109.52 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.57 110.3 16.28 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 106.68 -1.6 . . . . 3.6499999999999999 106.68 174.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.3 t -108.07 158.44 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.872 -1.159 . . . . 1.71 107.872 -174.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.8 112.46 7.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 105.423 -2.066 . . . . 2.04 105.423 167.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.31 -13.79 3.01 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-O 119.005 -0.886 . . . . 1.46 113.022 173.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -73.12 35.71 0.08 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.549 1.674 . . . . 2.7999999999999998 113.319 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.1 m-20 -99.95 66.8 1.39 Allowed 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 121.499 -0.75 . . . . 5.1900000000000004 109.224 -152.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -158.34 -75.32 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.71 0.633 . . . . 2.5899999999999999 112.71 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 157.51 -65.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 127.503 2.321 . . . . 2.0800000000000001 107.882 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.54 -34.99 62.76 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.936 0.874 . . . . 1.8600000000000001 110.989 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.4 m -71.48 -30.41 65.95 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.587 0.755 . . . . 2.79 109.883 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.82 92.34 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.222 -0.658 . . . . 1.75 109.222 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -59.74 -52.94 63.34 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 119.609 -0.837 . . . . 4.0899999999999999 109.768 170.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -48.83 -39.69 26.45 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.088 -1.007 . . . . 5.0 112.311 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.4 -57.5 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 118.802 0.728 . . . . 1.74 111.87 172.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -63.25 -43.94 96.59 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 108.096 -1.076 . . . . 1.8200000000000001 108.096 -174.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -65.47 -31.97 73.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 121.169 -0.957 . . . . 0.59999999999999998 111.055 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.33 -25.15 32.98 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.678 -0.677 . . . . 1.8100000000000001 111.922 169.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.8 m -103.29 -39.15 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 118.905 0.775 . . . . 2.96 113.054 177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -58.73 -27.28 64.76 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.56 -0.713 . . . . 4.9500000000000002 110.598 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -67.09 -13.03 61.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.618 0.969 . . . . 0.76000000000000001 113.618 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -72.23 -115.74 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.176 0.99 . . . . 1.98 109.6 -176.228 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.1 -48.92 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 124.441 1.096 . . . . 1.5800000000000001 108.565 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.52 -14.71 82.18 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 115.543 -0.753 . . . . 0.44 112.992 -175.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.77 130.23 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.871 0.868 . . . . 1.79 109.902 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -98.57 -55.65 2.68 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.138 0.975 . . . . 2.23 108.839 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -153.72 121.45 5.96 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.928 0.491 . . . . 2.7799999999999998 110.235 -168.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 p -105.66 141.77 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 126.258 1.823 . . . . 2.6000000000000001 110.615 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -131.62 94.06 3.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.476 1.511 . . . . 2.5699999999999998 109.697 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 t -90.99 101.13 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 125.526 1.53 . . . . 3.6400000000000001 108.192 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 tp -97.19 74.81 2.55 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.268 -1.753 . . . . 1.5600000000000001 106.268 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.7 t80 -61.1 102.44 0.21 Allowed 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.68 -1.6 . . . . 4.7400000000000002 106.68 167.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 149.79 -37.35 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.282 2.633 . . . . 3.1200000000000001 109.254 -171.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -118.49 19.25 13.39 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.01 0.524 . . . . 2.29 110.502 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 39.32 36.96 0.23 Allowed 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 127.75 2.42 . . . . 3.46 114.292 177.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.34 128.12 42.47 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.735 -1.209 . . . . 2.6299999999999999 107.735 -177.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.99 141.27 31.96 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.405 -1.702 . . . . 2.9700000000000002 106.405 174.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -122.57 142.87 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 118.578 0.626 . . . . 1.73 111.417 161.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.27 117.16 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 106.94 -1.504 . . . . 1.6299999999999999 106.94 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.57 120.48 38.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 106.974 -1.491 . . . . 2.6600000000000001 106.974 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.72 149.39 37.09 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.587 1.155 . . . . 1.6499999999999999 111.36 -169.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -95.9 58.31 1.9 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.975 0.91 . . . . 2.23 110.149 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 161.45 157.65 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 127.161 2.184 . . . . 1.6699999999999999 107.894 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -78.49 118.76 20.93 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 120.001 1.273 . . . . 3.3900000000000001 108.892 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.3 pp -139.18 26.55 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 123.011 0.524 . . . . 1.8899999999999999 109.743 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -62.02 -48.02 82.15 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 121.563 -0.71 . . . . 3.9700000000000002 111.006 -173.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.44 -30.54 60.69 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 123.885 0.74 . . . . 1.97 110.042 174.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -78.83 -40.9 31.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.007 -0.738 . . . . 2.3500000000000001 109.007 -175.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.501 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 78.0 t -64.7 -47.99 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 109.397 -0.594 . . . . 1.9399999999999999 109.397 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -46.0 -62.19 1.43 Allowed 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 118.162 -0.923 . . . . 2.23 109.965 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -48.1 -46.24 33.68 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.652 0.66 . . . . 1.23 110.086 -175.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -49.32 78.21 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.978 0.732 . . . . 1.6799999999999999 112.978 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.3 mt -67.6 -44.66 77.55 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.705 0.802 . . . . 1.9399999999999999 110.246 -176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -49.87 70.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.492 -0.776 . . . . 2.23 109.451 174.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -62.09 -41.55 98.31 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.329 -0.232 . . . . 4.7000000000000002 111.357 176.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.95 76.29 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.628 0.771 . . . . 1.46 110.587 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.31 54.89 0.19 Allowed Glycine 0 C--N 1.336 0.555 0 C-N-CA 124.224 0.916 . . . . 0.56000000000000005 110.931 168.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -136.95 164.01 29.35 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.738 -0.838 . . . . 3.0899999999999999 108.738 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.4 m -109.22 124.83 51.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.496 -1.668 . . . . 2.1699999999999999 106.496 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 pp -135.66 176.96 8.2 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.18 -1.045 . . . . 1.8899999999999999 108.18 168.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -136.15 129.04 31.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.758 -2.312 . . . . 5.3799999999999999 104.758 168.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.84 112.24 0.74 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 123.936 0.894 . . . . 4.1799999999999997 109.106 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -83.95 -174.73 5.45 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.829 -1.078 . . . . 2.5800000000000001 109.492 -178.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -63.0 168.66 3.85 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 122.041 0.925 . . . . 4.6299999999999999 109.248 171.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.35 -80.92 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.71 -0.848 . . . . 1.99 108.71 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.44 143.43 39.67 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.588 -1.634 . . . . 2.3999999999999999 106.588 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 . . . . . 0 C--O 1.248 1.024 0 N-CA-C 106.907 -1.516 . . . . 5.96 106.907 158.094 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.232 0.14 0 N-CA-C 109.549 -0.537 . . . . 5.5999999999999996 109.549 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.8 -149.06 11.94 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 110.484 -1.046 . . . . 2.3300000000000001 110.484 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.2 158.74 20.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.473 0.654 . . . . 2.5600000000000001 109.269 173.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -99.37 144.29 28.65 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.942 1.297 . . . . 7.6500000000000004 107.991 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.517 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 29.8 m-85 -132.56 125.47 30.59 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.65 1.18 . . . . 3.4100000000000001 108.75 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.404 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 70.9 m -99.89 156.78 16.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.091 0.956 . . . . 2.6000000000000001 109.289 172.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.517 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 5.6 m-90 -140.04 160.82 39.07 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.535 1.534 . . . . 1.1899999999999999 108.49 167.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -114.7 123.38 49.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 105.954 -1.869 . . . . 3.1299999999999999 105.954 167.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 t -109.04 174.72 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 125.379 1.472 . . . . 1.75 109.562 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.31 109.45 4.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.315 1.046 . . . . 1.9199999999999999 109.152 169.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.3 -37.44 1.39 Allowed Glycine 0 CA--C 1.531 1.052 0 CA-C-N 119.271 0.941 . . . . 0.97999999999999998 113.24 167.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ptm -69.3 86.85 0.42 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.232 1.013 . . . . 3.2200000000000002 111.253 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -136.7 71.79 1.42 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.463 1.028 . . . . 2.7599999999999998 111.781 172.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 m -147.52 -94.99 0.08 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.959 0.904 . . . . 2.3500000000000001 110.754 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.8 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.342 0.264 0 C-N-CA 124.988 1.315 . . . . 2.1400000000000001 109.41 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -27.29 68.03 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.785 -0.572 . . . . 1.8200000000000001 111.669 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -75.48 -38.0 59.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.858 0.863 . . . . 3.8799999999999999 109.19 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.33 -38.79 84.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.165 -0.68 . . . . 1.72 109.165 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.9 mtt85 -58.37 -51.14 71.07 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 118.999 -1.08 . . . . 3.8399999999999999 111.097 171.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -52.84 -40.06 63.05 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.304 -1.498 . . . . 3.7400000000000002 112.751 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.7 t -57.76 -55.69 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.728 0.811 . . . . 2.0600000000000001 111.34 173.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -67.44 -45.89 74.71 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.403 -0.962 . . . . 1.8799999999999999 108.403 -174.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -64.24 -31.21 72.32 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.777 -1.202 . . . . 0.60999999999999999 110.558 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.54 -24.27 60.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.272 -0.87 . . . . 1.8700000000000001 112.978 169.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.21 -39.48 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 119.655 1.116 . . . . 2.9900000000000002 111.7 174.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -60.27 -25.49 65.75 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.353 -0.842 . . . . 4.8600000000000003 110.72 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -71.37 -13.58 61.91 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.045 0.938 . . . . 0.68000000000000005 113.286 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -122.04 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.956 -0.757 . . . . 1.7 108.956 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.98 -47.85 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 108.584 -0.895 . . . . 1.6100000000000001 108.584 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.61 -13.92 83.0 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 115.517 -0.765 . . . . 0.40999999999999998 112.836 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.3 t -57.22 136.29 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.567 0.747 . . . . 1.5600000000000001 110.554 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -106.03 -53.28 2.66 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 106.618 -1.623 . . . . 2.4100000000000001 106.618 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.69 170.62 19.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.876 -0.786 . . . . 3.0699999999999998 108.876 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.77 142.91 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 124.596 1.158 . . . . 2.7200000000000002 109.641 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -132.87 94.47 3.39 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.844 1.658 . . . . 2.3199999999999998 108.971 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -91.37 119.75 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 106.497 -1.668 . . . . 3.0 106.497 168.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.9 tp -121.0 114.21 21.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.632 -0.877 . . . . 1.6599999999999999 108.632 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.09 160.39 8.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.188 0.995 . . . . 4.04 111.858 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.61 -45.2 0.61 Allowed 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.744 2.018 . . . . 2.6699999999999999 112.012 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 m -68.51 -27.19 65.9 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.901 -0.777 . . . . 2.5299999999999998 108.901 165.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.93 42.02 31.83 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.494 1.118 . . . . 4.4199999999999999 108.84 -176.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.7 134.03 51.27 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 104.274 -2.491 . . . . 2.4900000000000002 104.274 -174.486 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.15 135.61 46.18 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 125.184 1.553 . . . . 2.4500000000000002 108.683 164.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -123.68 142.9 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 O-C-N 124.384 1.053 . . . . 1.7 108.742 158.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.6 t -135.4 124.85 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 N-CA-C 105.556 -2.016 . . . . 1.6499999999999999 105.556 175.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.26 121.95 44.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 105.555 -2.017 . . . . 2.3999999999999999 105.555 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.74 139.03 29.23 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.614 0.571 . . . . 1.5700000000000001 111.537 -171.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -80.59 58.51 3.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.835 0.854 . . . . 2.3199999999999998 109.589 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 158.91 154.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 127.486 2.314 . . . . 1.75 109.531 175.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -71.9 117.43 13.49 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.867 1.267 . . . . 4.1399999999999997 109.392 171.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 pp -144.2 24.15 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.938 -0.476 . . . . 1.9399999999999999 110.378 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -60.32 -45.69 92.52 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 121.422 -0.799 . . . . 3.4399999999999999 111.389 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.78 65.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.697 0.623 . . . . 1.3100000000000001 110.074 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -79.28 -38.61 34.97 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.617 -0.512 . . . . 2.2400000000000002 109.617 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.4 t -64.2 -53.69 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 119.171 -1.012 . . . . 1.8100000000000001 108.406 171.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -44.45 -58.16 3.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 118.013 -0.994 . . . . 2.4300000000000002 111.508 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -47.0 -45.83 21.33 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.028 0.831 . . . . 1.5 110.835 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.21 73.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.1 -0.375 . . . . 1.6200000000000001 111.988 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.86 -45.35 94.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.937 1.295 . . . . 3.7000000000000002 110.423 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -53.38 51.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.328 -0.851 . . . . 2.4399999999999999 109.182 174.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -62.12 -41.43 98.24 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.633 0.235 . . . . 4.6600000000000001 111.633 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.93 -30.97 69.41 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 124.46 1.104 . . . . 1.51 110.611 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.28 45.02 0.5 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 111.173 -0.771 . . . . 0.51000000000000001 111.173 164.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -137.29 145.69 43.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.695 -1.224 . . . . 3.5499999999999998 107.695 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 p -87.52 134.39 33.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.097 -1.816 . . . . 1.8500000000000001 106.097 166.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pp -128.86 175.56 8.54 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.076 -0.713 . . . . 1.8400000000000001 109.076 166.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -127.53 131.78 50.02 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 105.37 -2.085 . . . . 3.9900000000000002 105.37 167.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -69.87 135.1 49.18 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.376 -1.342 . . . . 2.3700000000000001 107.376 174.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.32 169.31 9.44 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.292 -1.776 . . . . 3.0 110.41 -175.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.99 129.21 36.98 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.312 1.045 . . . . 5.0800000000000001 108.718 168.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.34 -71.32 0.07 Allowed 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.068 0.947 . . . . 2.5499999999999998 110.619 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -172.04 140.73 1.24 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.93 2.092 . . . . 4.1699999999999999 106.204 167.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--O 1.251 1.137 0 O-C-N 125.022 1.451 . . . . 9.8399999999999999 109.867 -172.689 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 105.792 -1.929 . . . . 6.0899999999999999 105.792 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.29 172.61 53.5 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.271 -1.532 . . . . 3.0800000000000001 109.271 166.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.4 m -131.94 140.05 48.89 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.768 0.827 . . . . 2.6899999999999999 109.999 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.55 125.7 51.34 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 113.764 -1.562 . . . . 4.6500000000000004 108.104 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.48 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.8 m-85 -102.91 133.89 47.25 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 128.191 2.596 . . . . 3.7999999999999998 111.05 171.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.433 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 51.8 p -116.04 154.6 29.61 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.731 0.812 . . . . 2.6800000000000002 111.424 174.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.48 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -140.21 157.88 44.9 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.879 0.871 . . . . 1.1699999999999999 109.577 170.567 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -106.78 119.57 39.68 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 105.715 -1.957 . . . . 2.8399999999999999 105.715 166.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 t -107.57 177.7 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 125.236 1.414 . . . . 1.98 107.827 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.65 117.26 4.68 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.388 -2.078 . . . . 1.79 105.388 163.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.55 -10.68 4.33 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 115.554 0.982 . . . . 1.0 115.554 167.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -75.29 57.95 0.92 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.575 1.687 . . . . 2.9700000000000002 113.208 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.415 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 12.7 m-20 -90.47 69.38 6.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.765 -0.585 . . . . 4.6299999999999999 112.447 -171.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.38 142.56 0.34 Allowed 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 121.61 -0.681 . . . . 2.5800000000000001 110.944 166.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.42 -49.43 74.55 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.425 0.631 . . . . 2.52 110.562 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.61 -15.39 51.28 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.806 0.669 . . . . 3.3300000000000001 112.806 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -97.64 -29.56 13.34 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.17 0.988 . . . . 3.5899999999999999 110.778 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.94 -39.99 63.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.308 -0.627 . . . . 1.7 109.308 167.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . 0.255 1.7 mpt_? -57.36 -45.45 84.37 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.058 -1.057 . . . . 4.1799999999999997 112.674 170.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -40.74 73.31 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.084 -1.635 . . . . 5.0800000000000001 111.064 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.1 t -59.15 -57.65 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.359 0.664 . . . . 2.0600000000000001 110.647 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -64.59 -42.79 95.35 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 108.386 -0.968 . . . . 2.0699999999999998 108.386 -173.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -67.47 -35.28 78.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.55 0.74 . . . . 0.65000000000000002 109.666 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.69 -19.29 15.78 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.507 0.558 . . . . 1.6599999999999999 112.507 169.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.6 t -97.73 -43.37 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.348 1.059 . . . . 2.9100000000000001 110.276 172.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 mtm-85 -60.5 -25.01 65.76 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 120.125 -1.61 . . . . 4.0099999999999998 111.702 -176.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.99 -12.57 55.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.938 0.895 . . . . 0.68999999999999995 113.2 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -118.28 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.164 0.986 . . . . 2.0600000000000001 109.074 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.78 -48.58 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 124.388 1.075 . . . . 1.6899999999999999 108.771 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.11 -22.76 78.71 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.354 -0.839 . . . . 0.55000000000000004 112.837 -176.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.4 t -56.09 140.13 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 122.02 -0.694 . . . . 1.72 110.774 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -108.96 -46.13 3.67 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.624 -0.51 . . . . 2.46 109.624 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -160.49 149.26 16.86 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 106.403 -1.703 . . . . 2.73 106.403 -172.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.6 m -142.46 150.61 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 O-C-N 121.422 -0.799 . . . . 3.5499999999999998 109.324 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -142.81 98.16 3.23 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 122.523 1.154 . . . . 2.4900000000000002 110.079 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -91.0 122.46 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 127.286 2.235 . . . . 2.8100000000000001 105.947 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 tp -110.2 77.08 1.02 Allowed 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 106.236 -1.764 . . . . 1.9099999999999999 106.236 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.415 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.0 t80 -63.94 89.49 0.05 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.203 -1.406 . . . . 5.0 107.203 168.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.03 -41.86 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 129.179 2.992 . . . . 3.0899999999999999 107.932 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -108.72 16.59 22.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.774 0.829 . . . . 2.52 110.971 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 43.93 38.89 2.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.134 1.774 . . . . 4.1699999999999999 113.06 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.34 127.95 36.62 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.068 -1.086 . . . . 2.7599999999999998 108.068 -171.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.21 140.26 38.62 Favored 'General case' 0 N--CA 1.423 -1.819 0 C-N-CA 124.694 1.198 . . . . 2.2200000000000002 108.77 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.47 140.19 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 O-C-N 124.602 1.188 . . . . 1.79 110.668 167.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.4 t -129.47 130.12 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 C-N-CA 126.079 1.752 . . . . 1.76 106.524 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -109.51 115.13 29.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.584 -1.635 . . . . 2.73 106.584 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -153.1 150.14 28.82 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.587 0.755 . . . . 1.71 109.704 -172.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.99 55.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.79 0.805 . . . . 2.4399999999999999 108.87 -167.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -169.58 -35.08 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.846 1.054 . . . . 2.79 113.846 -177.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 t0 79.85 124.48 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 127.786 2.434 . . . . 3.5099999999999998 109.086 -170.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pp -146.44 34.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 125.2 1.4 . . . . 1.8600000000000001 107.742 176.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.4 mtm-85 -61.7 -45.54 93.55 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.321 -0.862 . . . . 3.4399999999999999 111.466 -171.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.59 -33.45 68.2 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 123.567 0.542 . . . . 1.6699999999999999 110.175 175.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -46.57 52.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.936 -0.764 . . . . 3.1899999999999999 108.936 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.465 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 55.0 t -64.72 -47.77 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 N-CA-C 108.46 -0.941 . . . . 1.48 108.46 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -46.31 -61.51 1.76 Allowed 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 117.349 -1.31 . . . . 2.3999999999999999 110.004 170.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.5 t -45.97 -46.72 16.5 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.95 1.25 . . . . 1.5800000000000001 110.736 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.45 77.57 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.579 0.585 . . . . 1.6399999999999999 112.579 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.7 mt -69.08 -40.56 78.38 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.277 1.031 . . . . 2.1400000000000001 111.677 -176.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -49.86 -51.4 40.57 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.702 1.201 . . . . 2.96 107.843 169.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -64.27 -43.28 95.31 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 122.208 -0.308 . . . . 5.0999999999999996 111.71 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.34 -35.53 62.83 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.797 0.839 . . . . 2.0099999999999998 110.643 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.21 44.59 0.61 Allowed Glycine 0 C--N 1.334 0.433 0 N-CA-C 111.071 -0.812 . . . . 0.85999999999999999 111.071 165.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.67 136.79 44.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.836 -1.172 . . . . 3.8199999999999998 107.836 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.7 m -83.26 118.38 23.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.6 -1.259 . . . . 2.79 107.6 173.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 pp -109.83 175.25 5.51 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.464 0.477 . . . . 1.9199999999999999 111.346 169.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -128.68 135.83 49.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 105.342 -2.096 . . . . 4.4199999999999999 105.342 163.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -72.81 120.24 18.16 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 106.863 -1.532 . . . . 2.9700000000000002 106.863 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -88.8 177.68 6.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 122.326 1.06 . . . . 2.8500000000000001 111.825 177.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -56.15 165.47 1.0 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 113.788 -1.551 . . . . 5.7599999999999998 110.966 165.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.94 -82.75 0.14 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.976 -1.011 . . . . 1.8300000000000001 108.662 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.17 143.05 15.08 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 105.522 -2.029 . . . . 4.0700000000000003 105.522 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.251 1.155 0 O-C-N 124.706 1.254 . . . . 8.4700000000000006 110.568 -167.83 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.872 -0.418 . . . . 7.3399999999999999 109.872 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.96 162.63 38.84 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.86 -0.896 . . . . 3.1200000000000001 110.86 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -99.82 157.92 16.16 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 123.646 0.778 . . . . 2.7400000000000002 109.848 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -141.3 166.87 23.58 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.0 -1.0 . . . . 4.9900000000000002 110.11 170.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.426 ' HB3' ' CZ2' ' A' ' 8' ' ' TRP . 54.4 m-85 -143.18 152.26 41.58 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 127.001 2.12 . . . . 3.1299999999999999 111.089 -170.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -114.95 161.66 18.0 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.125 1.528 . . . . 3.2200000000000002 115.125 174.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.462 ' CZ2' ' HD2' ' A' ' 53' ' ' ARG . 7.5 m-90 -140.69 151.67 44.72 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.683 1.993 . . . . 2.6099999999999999 109.834 169.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.16 101.26 11.0 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.377 1.471 . . . . 3.3500000000000001 107.877 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -101.1 117.63 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 118.79 0.723 . . . . 1.8500000000000001 109.383 -163.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -103.48 95.61 6.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 107.389 -1.337 . . . . 2.0499999999999998 107.389 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.12 -38.39 0.97 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.843 -0.503 . . . . 0.79000000000000004 111.843 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -69.46 101.89 1.67 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 117.492 0.646 . . . . 3.1099999999999999 111.05 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -152.93 73.02 0.98 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.059 0.944 . . . . 3.1800000000000002 110.301 162.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -171.43 146.18 2.22 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.33 -0.856 . . . . 2.5899999999999999 112.651 172.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.78 65.38 0.71 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.346 1.458 . . . . 2.8999999999999999 112.219 -175.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.81 -52.84 0.01 OUTLIER 'General case' 0 C--O 1.234 0.271 0 C-N-CA 127.463 2.305 . . . . 2.0600000000000001 106.881 -173.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.3 m -63.83 -38.18 90.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.963 -1.125 . . . . 2.46 107.963 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.5 -47.47 57.31 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 123.505 0.503 . . . . 1.8 110.914 175.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.7 -47.27 66.82 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 119.446 -0.902 . . . . 3.6099999999999999 109.38 178.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -48.24 -42.41 30.33 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.855 0.752 . . . . 3.7400000000000002 112.034 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.8 t -57.04 -61.58 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 123.659 0.783 . . . . 1.6299999999999999 110.331 174.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -61.69 -44.79 96.26 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.495 -1.298 . . . . 2.1400000000000001 107.495 -171.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -60.92 -39.4 89.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.183 0.993 . . . . 0.66000000000000003 109.733 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.18 -20.72 43.29 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.907 0.706 . . . . 1.51 112.907 172.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.6 t -95.61 -45.77 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 125.233 1.413 . . . . 2.8599999999999999 108.949 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -61.56 -30.17 70.49 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 119.732 -1.855 . . . . 3.02 111.088 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -60.86 -14.38 21.66 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.5 0.926 . . . . 0.96999999999999997 113.5 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -118.63 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.641 0.655 . . . . 1.8300000000000001 110.11 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.46 -49.29 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 123.911 0.884 . . . . 1.72 109.285 -174.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.84 -15.48 75.17 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 115.801 -0.636 . . . . 0.58999999999999997 112.742 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -51.68 136.04 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.293 0.637 . . . . 1.8200000000000001 109.47 164.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -117.43 -45.99 2.7 Favored 'General case' 0 N--CA 1.458 -0.045 0 C-N-CA 123.179 0.592 . . . . 3.2599999999999998 109.606 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -139.02 162.83 33.96 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.625 1.17 . . . . 2.8100000000000001 107.944 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -154.46 132.23 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 108.36 -0.978 . . . . 2.3700000000000001 108.36 -173.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.64 105.2 8.31 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.989 1.316 . . . . 4.6900000000000004 109.31 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.6 118.57 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 C-N-CA 126.453 1.901 . . . . 2.7799999999999998 106.211 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.9 tp -124.83 110.38 14.22 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.053 -1.091 . . . . 1.6100000000000001 108.053 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -68.02 162.88 23.54 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.51 0.671 . . . . 4.54 112.339 175.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 75.97 -41.38 0.43 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.565 2.746 . . . . 2.1699999999999999 110.734 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.8 m -75.27 -17.77 60.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.837 0.855 . . . . 2.0099999999999998 110.588 169.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 49.26 39.04 14.93 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.996 1.318 . . . . 3.6699999999999999 112.723 -177.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -105.9 137.26 44.1 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.018 -1.105 . . . . 2.6099999999999999 108.018 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.8 132.81 43.08 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 104.703 -2.332 . . . . 2.5800000000000001 104.703 160.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 p -131.48 134.2 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 119.412 1.005 . . . . 3.3300000000000001 108.928 154.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 t -129.46 121.87 54.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 107.009 -1.478 . . . . 1.8400000000000001 107.009 -166.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.27 103.45 13.48 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.673 -1.603 . . . . 2.7200000000000002 106.673 -175.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -141.6 130.31 22.83 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.77 0.828 . . . . 1.8500000000000001 109.157 -169.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -86.4 51.54 2.25 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.417 -0.216 . . . . 2.54 110.417 -171.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 168.25 147.17 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.023 -1.103 . . . . 2.75 108.023 -167.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -77.68 113.97 16.07 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.967 -0.753 . . . . 3.7599999999999998 108.967 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -141.22 23.06 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 123.574 0.75 . . . . 1.8999999999999999 110.891 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.462 ' HD2' ' CZ2' ' A' ' 8' ' ' TRP . 13.2 mtm180 -72.34 -27.81 62.65 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 120.964 -1.085 . . . . 4.2300000000000004 110.63 -172.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.9 -37.19 71.07 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.564 -0.854 . . . . 1.8899999999999999 109.244 168.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.9 -47.18 26.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.185 -0.672 . . . . 2.75 109.185 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 40.6 t -62.55 -50.27 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.991 -0.744 . . . . 1.52 108.991 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . 0.28 31.8 tt0 -60.88 -50.61 72.72 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.783 -1.103 . . . . 3.3300000000000001 109.292 -179.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -47.18 -52.18 16.36 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.454 1.025 . . . . 1.79 111.165 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.75 79.43 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.545 0.738 . . . . 1.4099999999999999 111.818 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.6 mt -64.3 -45.81 86.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.514 1.126 . . . . 2.1000000000000001 109.806 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -50.6 65.21 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.221 -0.659 . . . . 2.1400000000000001 109.221 175.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.88 -48.8 80.16 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.792 -0.186 . . . . 4.29 110.799 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.92 69.9 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 124.358 1.063 . . . . 1.55 111.102 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.1 52.85 0.09 OUTLIER Glycine 0 C--N 1.335 0.51 0 N-CA-C 110.976 -0.85 . . . . 0.94999999999999996 110.976 170.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -132.86 168.69 17.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.735 0.814 . . . . 3.8100000000000001 109.379 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -131.21 128.48 40.02 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.511 -1.292 . . . . 2.2799999999999998 107.511 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.72 174.97 10.74 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.478 1.911 . . . . 3.0699999999999998 107.981 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' CZ ' ' HA ' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -148.76 73.75 1.24 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.313 1.045 . . . . 7.9199999999999999 108.714 -172.421 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 31.43 54.43 0.24 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.814 1.783 . . . . 3.73 115.814 159.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -72.03 168.02 18.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 120.735 -1.228 . . . . 3.0600000000000001 110.967 -161.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -51.61 174.94 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.304 1.041 . . . . 5.0999999999999996 112.973 167.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -136.95 55.15 1.84 Allowed 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.598 -0.689 . . . . 2.3599999999999999 109.614 -167.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 63.51 74.16 0.43 Allowed 'General case' 0 C--N 1.337 0.063 0 C-N-CA 124.474 1.11 . . . . 2.5299999999999998 108.025 -168.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 C--O 1.249 1.062 0 O-C-N 125.136 1.523 . . . . 6.1699999999999999 108.326 -159.419 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.234 0.253 0 N-CA-C 106.945 -1.502 . . . . 5.4500000000000002 106.945 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.11 129.01 4.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 108.278 -1.929 . . . . 2.4700000000000002 108.278 -175.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.12 146.86 51.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.443 -0.947 . . . . 1.8600000000000001 108.443 175.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -98.37 141.24 31.49 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 113.615 -1.629 . . . . 4.1100000000000003 108.896 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.504 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 9.5 m-85 -125.13 119.28 28.14 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 127.108 2.163 . . . . 3.6299999999999999 110.065 174.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.418 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 79.7 p -99.62 148.11 24.66 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.98 0.809 . . . . 2.52 110.731 174.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.504 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -136.21 159.16 42.58 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.123 1.369 . . . . 1.1599999999999999 108.532 164.559 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -110.46 110.64 21.46 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.353 -2.091 . . . . 3.6600000000000001 105.353 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.6 t -99.77 170.8 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 119.089 0.858 . . . . 1.6599999999999999 109.284 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.79 113.19 7.28 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.314 -0.995 . . . . 1.78 108.314 169.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.5 -23.78 3.41 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.716 1.627 . . . . 0.95999999999999996 111.891 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -79.35 82.81 5.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 121.517 -0.99 . . . . 3.1000000000000001 110.226 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -146.64 61.2 1.21 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.424 0.63 . . . . 3.6800000000000002 111.447 168.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 m -136.53 -96.66 0.22 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.753 0.821 . . . . 2.3199999999999998 111.435 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.36 -62.23 0.03 OUTLIER 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.028 0.931 . . . . 2.1499999999999999 109.276 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.95 -29.54 70.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.628 0.771 . . . . 2.2000000000000002 111.214 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.8 t -72.36 -45.81 58.21 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.546 -0.909 . . . . 3.4300000000000002 108.546 -175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.86 -45.55 74.58 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.448 -0.342 . . . . 1.6799999999999999 110.606 176.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.6 mtt85 -63.37 -51.32 66.37 Favored 'General case' 0 N--CA 1.432 -1.368 0 C-N-CA 118.754 -1.178 . . . . 5.5700000000000003 110.0 175.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.94 -46.27 10.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.735 1.152 . . . . 4.1200000000000001 112.121 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.54 -63.39 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-O 119.294 -0.384 . . . . 1.95 110.414 174.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.33 -36.01 76.98 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 118.727 -1.189 . . . . 2.0600000000000001 108.111 -170.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -63.12 -40.1 96.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.443 1.497 . . . . 0.73999999999999999 110.591 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -19.85 27.88 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.899 0.88 . . . . 1.52 112.263 170.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -98.63 -46.64 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 125.056 1.343 . . . . 2.8900000000000001 110.389 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -61.55 -30.91 70.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 120.406 -1.433 . . . . 3.6000000000000001 109.674 -175.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -63.94 -15.35 58.95 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 117.722 -1.132 . . . . 0.59999999999999998 113.57 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -102.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.457 1.026 . . . . 1.6200000000000001 110.014 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 173.68 -50.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.439 1.496 . . . . 1.8600000000000001 108.564 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.71 -24.76 73.75 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.34 -0.846 . . . . 0.67000000000000004 112.741 -171.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -51.41 137.6 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.694 0.798 . . . . 1.5700000000000001 109.889 174.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -99.92 -51.68 3.64 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.497 -1.297 . . . . 2.21 107.497 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -149.1 163.68 36.88 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.29 -1.004 . . . . 2.8100000000000001 108.29 -170.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -155.44 134.18 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 107.805 -1.183 . . . . 2.6600000000000001 107.805 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -125.82 102.28 7.23 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.268 1.427 . . . . 3.5899999999999999 107.738 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 m -94.51 134.43 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 126.932 2.093 . . . . 2.7000000000000002 105.726 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.7 tp -128.26 118.38 23.19 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.866 0.466 . . . . 1.6399999999999999 109.965 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -60.7 163.77 5.26 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 125.827 1.651 . . . . 3.6099999999999999 112.701 171.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.29 -52.4 0.35 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.488 2.315 . . . . 2.5499999999999998 112.393 -174.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 m -67.56 -27.49 66.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.468 1.107 . . . . 2.3399999999999999 110.552 173.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.61 38.1 29.74 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.944 1.297 . . . . 4.2199999999999998 110.264 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.03 129.32 36.36 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.159 -1.052 . . . . 2.4100000000000001 108.159 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.45 120.09 39.93 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 105.754 -1.943 . . . . 2.8599999999999999 105.754 167.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.8 t -125.93 110.91 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 109.167 -0.679 . . . . 2.2000000000000002 109.167 168.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.0 t -103.21 135.03 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 C-N-CA 123.722 0.809 . . . . 1.75 109.102 173.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.36 111.69 18.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.822 1.249 . . . . 2.25 108.093 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -133.38 -179.58 5.6 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.328 1.451 . . . . 1.8700000000000001 109.585 -175.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.06 51.56 2.03 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 124.155 0.982 . . . . 2.1600000000000001 109.008 -176.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -175.23 -34.25 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 114.273 1.212 . . . . 2.7999999999999998 114.273 -167.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 73.43 115.1 0.06 Allowed 'General case' 0 C--N 1.34 0.154 0 C-N-CA 126.608 1.963 . . . . 3.6800000000000002 111.627 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -147.02 33.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.147 -1.057 . . . . 1.9199999999999999 108.147 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -61.13 -46.17 91.69 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 121.667 -0.646 . . . . 3.7200000000000002 110.864 -172.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.01 -32.01 69.33 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 123.776 0.673 . . . . 1.3600000000000001 110.649 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.74 -40.91 54.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.611 -0.68 . . . . 2.7200000000000002 109.207 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.474 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 55.9 t -66.56 -50.24 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 N-CA-C 108.379 -0.971 . . . . 1.79 108.379 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -44.05 -63.17 0.92 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.127 -1.416 . . . . 3.27 110.868 168.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 t -48.38 -43.52 33.88 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.44 1.473 . . . . 1.49 110.813 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.84 63.44 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.724 0.638 . . . . 1.49 112.724 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 mt -62.27 -43.6 98.45 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.487 1.115 . . . . 2.1400000000000001 109.939 -178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -56.84 9.29 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.628 1.171 . . . . 2.8900000000000001 108.939 172.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -61.21 -45.62 93.8 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 121.286 -0.166 . . . . 4.7999999999999998 111.122 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.61 -32.64 67.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.032 0.933 . . . . 1.78 110.728 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.69 38.69 0.57 Allowed Glycine 0 CA--C 1.522 0.491 0 C-N-CA 124.321 0.962 . . . . 0.68000000000000005 111.594 164.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -128.18 120.67 27.75 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.739 0.769 . . . . 3.5299999999999998 109.443 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -81.71 114.95 20.71 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.542 -1.281 . . . . 1.99 107.542 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 pp -112.73 -178.13 3.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.168 0.987 . . . . 2.02 110.455 176.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -134.43 119.02 18.05 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.109 -1.441 . . . . 3.96 107.109 166.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.42 109.62 0.72 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.697 1.599 . . . . 4.2000000000000002 109.193 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.25 177.53 5.82 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 122.262 1.03 . . . . 2.9199999999999999 111.329 -173.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -56.93 168.71 0.6 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.134 1.374 . . . . 4.6100000000000003 110.993 164.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.7 -61.39 2.39 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.646 -0.706 . . . . 2.1000000000000001 110.288 176.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.89 161.97 41.68 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.696 1.198 . . . . 2.6299999999999999 108.003 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 C--O 1.256 1.438 0 N-CA-C 103.586 -2.746 . . . . 7.7699999999999996 103.586 172.182 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 110.585 -0.154 . . . . 6.4100000000000001 110.585 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 137.08 103.89 0.67 Allowed Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.759 -1.337 . . . . 2.5499999999999998 109.759 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.26 154.88 31.54 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.883 -0.784 . . . . 1.8899999999999999 108.883 168.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -106.57 135.99 47.14 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 125.189 1.556 . . . . 3.9199999999999999 108.514 172.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 30.3 m-85 -122.55 131.85 54.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.449 1.1 . . . . 3.9399999999999999 112.174 172.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 m -108.03 147.38 31.22 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.212 0.945 . . . . 2.71 110.929 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.481 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 1.2 m-90 -137.51 159.87 40.75 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.883 1.673 . . . . 1.1899999999999999 108.881 168.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -122.44 123.27 40.93 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 126.633 1.973 . . . . 2.9300000000000002 107.558 174.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.404 ' CG1' ' HE3' ' A' ' 13' ' ' MET . 0.1 OUTLIER -120.09 -176.65 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.723 1.609 . . . . 2.5699999999999998 111.643 -177.04 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -150.5 123.58 8.81 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.151 1.78 . . . . 2.0600000000000001 107.467 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.25 -20.21 4.24 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.685 1.612 . . . . 0.83999999999999997 113.802 171.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.404 ' HE3' ' CG1' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -95.42 82.92 3.74 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 124.172 0.989 . . . . 6.2300000000000004 111.35 -175.794 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -139.12 85.91 2.1 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.071 -0.714 . . . . 3.2000000000000002 109.071 160.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -154.43 -93.92 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.693 -0.63 . . . . 2.6000000000000001 110.484 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.51 -59.36 0.03 OUTLIER 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.85 0.86 . . . . 1.97 108.977 174.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.12 -33.52 67.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.089 0.956 . . . . 1.6899999999999999 111.795 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 m -69.13 -34.06 74.44 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.503 -0.925 . . . . 2.5299999999999998 108.503 -175.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.28 90.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.486 -0.485 . . . . 1.8400000000000001 110.197 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -50.98 70.68 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 118.893 -1.123 . . . . 4.5 110.17 174.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -44.61 -47.0 10.37 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.773 1.17 . . . . 3.8900000000000001 112.021 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.39 -60.85 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 123.571 0.748 . . . . 1.8400000000000001 110.907 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -63.43 -37.24 86.53 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 118.62 -1.232 . . . . 1.98 108.433 -172.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -64.48 -36.56 84.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.74 1.216 . . . . 0.64000000000000001 110.503 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -21.38 24.25 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.878 0.471 . . . . 1.49 112.234 169.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.8 t -103.91 -41.33 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.931 1.292 . . . . 2.98 110.857 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -63.54 -32.63 74.15 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 119.932 -1.73 . . . . 3.3500000000000001 109.566 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -61.71 -13.07 19.69 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.357 1.243 . . . . 0.64000000000000001 114.357 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.61 -110.36 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.544 1.066 . . . . 1.8200000000000001 109.37 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 179.85 -48.97 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 124.457 1.103 . . . . 1.6699999999999999 109.02 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.2 -9.99 85.36 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 115.504 -0.771 . . . . 0.53000000000000003 113.355 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.33 150.65 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.019 0.928 . . . . 1.5600000000000001 109.231 170.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -140.27 -6.24 1.22 Allowed 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 115.059 1.503 . . . . 2.5800000000000001 115.059 166.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -158.24 145.45 17.93 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 105.222 -2.14 . . . . 2.2799999999999998 105.222 -176.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -147.02 128.26 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 124.485 1.114 . . . . 3.98 108.907 -169.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -127.96 92.11 3.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.027 0.931 . . . . 2.3199999999999998 110.153 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.7 t -92.9 101.5 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 126.372 1.869 . . . . 3.2799999999999998 108.208 173.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.8 tp -104.01 110.63 22.87 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.6 -0.889 . . . . 1.8600000000000001 108.6 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.26 165.79 2.5 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.596 0.758 . . . . 3.2799999999999998 111.198 168.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.5 -50.15 0.66 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 126.345 1.858 . . . . 2.23 111.94 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -70.52 -24.89 62.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.256 -0.646 . . . . 2.1400000000000001 109.256 167.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 56.3 37.97 29.33 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.946 1.298 . . . . 4.5499999999999998 108.773 178.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.55 130.35 54.19 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 105.937 -1.875 . . . . 2.5699999999999998 105.937 -166.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.83 136.01 40.39 Favored 'General case' 0 N--CA 1.414 -2.246 0 N-CA-C 108.02 -1.104 . . . . 2.4100000000000001 108.02 -178.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -123.39 147.55 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 O-C-N 124.469 1.106 . . . . 2.02 110.385 154.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.04 125.44 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 105.816 -1.92 . . . . 1.6899999999999999 105.816 172.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -104.54 120.72 41.92 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.471 -1.677 . . . . 2.3300000000000001 106.471 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -152.6 122.41 6.94 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 123.04 0.536 . . . . 1.6599999999999999 111.179 -163.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 57.71 2.65 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.271 -0.64 . . . . 2.3300000000000001 109.271 -169.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -29.9 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.085 1.513 . . . . 3.0699999999999998 115.085 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 91.08 106.75 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.827 2.051 . . . . 5.0099999999999998 110.373 171.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pp -148.14 31.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 123.027 0.531 . . . . 1.77 111.29 -167.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -54.28 -51.21 65.3 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.58 -0.7 . . . . 5.25 110.642 -175.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.74 71.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.668 0.787 . . . . 1.3100000000000001 110.179 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -73.69 -42.1 61.71 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.222 -0.659 . . . . 2.9900000000000002 109.222 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.8 t -64.89 -50.74 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 108.871 -0.789 . . . . 1.5800000000000001 108.871 177.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -47.06 -60.05 2.72 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 117.822 -1.085 . . . . 2.2400000000000002 110.834 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.7 t -46.73 -48.49 20.38 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.446 1.021 . . . . 1.1499999999999999 110.579 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.76 84.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.444 0.535 . . . . 1.6399999999999999 112.444 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 66.8 mt -70.6 -40.07 73.42 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.915 0.886 . . . . 2.2799999999999998 111.412 -176.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -49.87 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.184 -0.673 . . . . 2.6000000000000001 109.184 169.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.32 -43.47 98.82 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.381 -0.199 . . . . 4.7699999999999996 111.306 176.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.28 69.06 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.698 0.799 . . . . 1.6399999999999999 110.609 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.47 47.35 0.42 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 123.931 0.777 . . . . 0.81000000000000005 111.501 164.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -138.06 150.17 46.67 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 108.707 -0.849 . . . . 3.3199999999999998 108.707 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 p -98.64 114.48 26.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.962 -1.125 . . . . 2.1099999999999999 107.962 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 pp -106.94 176.55 5.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.091 0.556 . . . . 1.8899999999999999 110.313 166.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -127.67 147.27 50.37 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 103.713 -2.699 . . . . 5.5099999999999998 103.713 157.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -65.74 123.34 19.48 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 107.142 -1.429 . . . . 2.7999999999999998 107.142 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -89.65 -179.82 5.86 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.673 -0.694 . . . . 2.5299999999999998 110.635 176.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.76 174.27 1.47 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 119.502 -0.879 . . . . 5.04 110.939 168.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.89 -67.75 0.75 Allowed 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.55 -0.907 . . . . 1.96 108.55 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.8 -52.41 0.08 Allowed 'General case' 0 C--O 1.23 0.072 0 C-N-CA 124.877 1.271 . . . . 2.4500000000000002 107.76 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--O 1.249 1.032 0 N-CA-C 104.29 -2.485 . . . . 8.0800000000000001 104.29 145.238 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 105.279 -2.119 . . . . 5.75 105.279 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.64 173.33 19.25 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 107.63 -2.188 . . . . 2.27 107.63 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.08 134.66 30.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 117.721 0.761 . . . . 2.6499999999999999 110.166 -171.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -96.86 140.2 31.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.957 1.303 . . . . 6.5499999999999998 107.532 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.474 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 39.6 m-85 -134.04 123.33 24.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.873 1.269 . . . . 2.98 109.469 176.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.481 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 61.2 p -101.92 152.05 21.39 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 123.772 0.67 . . . . 2.5499999999999998 110.943 176.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.492 ' CZ2' ' CG1' ' A' ' 56' ' ' VAL . 0.2 OUTLIER -133.86 170.02 16.22 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.654 -1.239 . . . . 1.22 107.654 166.133 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.5 mppt? -115.24 120.41 39.62 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 105.031 -2.211 . . . . 2.6099999999999999 105.031 166.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.8 t -103.3 166.16 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 118.907 0.776 . . . . 1.76 109.0 -178.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 t -145.05 115.04 7.41 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.997 -1.112 . . . . 1.71 107.997 164.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.42 -44.35 0.88 Allowed Glycine 0 CA--C 1.526 0.728 0 C-N-CA 123.448 0.547 . . . . 0.71999999999999997 112.025 168.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.57 96.34 1.18 Allowed 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.283 -0.54 . . . . 2.8199999999999998 111.162 -177.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -143.04 93.25 2.48 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.377 0.671 . . . . 3.1200000000000001 109.469 166.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.26 -84.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.627 0.771 . . . . 2.3799999999999999 109.936 169.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.93 -57.75 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.34 1.456 . . . . 2.1800000000000002 108.6 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.23 63.77 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.998 -0.546 . . . . 2.0699999999999998 111.615 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 m -72.84 -41.38 64.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.518 -0.919 . . . . 2.5600000000000001 108.518 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.46 -40.53 91.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.606 -0.437 . . . . 1.6399999999999999 110.454 174.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 -61.8 -53.74 51.86 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 118.533 -1.267 . . . . 5.4000000000000004 110.892 171.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -44.66 -46.75 10.38 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.853 1.206 . . . . 3.5699999999999998 111.731 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.4 t -58.24 -63.07 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 124.757 1.223 . . . . 1.8799999999999999 111.59 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -56.98 -46.9 81.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 105.874 -1.899 . . . . 2.0699999999999998 105.874 -172.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -65.19 -37.33 86.99 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 123.316 0.646 . . . . 0.48999999999999999 109.672 -172.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -21.98 41.49 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.475 0.71 . . . . 1.5800000000000001 112.78 170.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.1 t -91.96 -50.32 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.017 1.327 . . . . 2.71 110.371 172.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -61.23 -26.75 67.96 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 120.147 -1.596 . . . . 3.7400000000000002 111.202 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.37 -14.29 38.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.662 0.986 . . . . 0.78000000000000003 113.662 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -119.71 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.177 0.899 . . . . 1.77 109.401 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.45 -48.84 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.204 0 O-C-N 121.323 -0.861 . . . . 1.6599999999999999 109.247 -176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.02 -21.99 79.44 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.53 -0.759 . . . . 0.59999999999999998 112.011 -177.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 72.0 t -53.47 128.63 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.998 -0.742 . . . . 1.6499999999999999 108.998 168.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -133.43 -3.32 3.02 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.503 0.927 . . . . 2.5699999999999998 113.503 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.96 160.26 40.98 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 105.615 -1.994 . . . . 2.6000000000000001 105.615 162.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -157.17 136.36 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.999 -1.111 . . . . 2.5600000000000001 107.999 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -124.35 111.12 15.42 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.713 -1.217 . . . . 2.7599999999999998 107.713 170.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -95.4 119.74 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 105.538 -2.023 . . . . 3.3799999999999999 105.538 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 tp -119.42 111.46 18.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.178 -1.045 . . . . 1.48 108.178 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -61.53 159.17 13.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 124.178 0.924 . . . . 3.2799999999999998 111.74 172.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 75.21 -42.26 0.48 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 128.546 2.739 . . . . 2.3100000000000001 110.796 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.0 m -71.72 -22.41 61.64 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.042 0.937 . . . . 2.2999999999999998 110.141 164.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.59 42.72 19.56 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.842 1.257 . . . . 3.9700000000000002 111.472 -172.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.68 122.57 39.75 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.317 -1.364 . . . . 2.4900000000000002 107.317 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.09 118.84 35.6 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 103.243 -2.873 . . . . 2.8100000000000001 103.243 161.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -121.93 114.0 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.72 0 N-CA-C 108.635 -0.876 . . . . 2.04 108.635 161.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.2 t -102.37 133.9 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.026 -1.101 . . . . 1.78 108.026 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.71 104.84 13.21 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.601 -1.259 . . . . 3.0299999999999998 107.601 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.26 134.57 42.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.097 0.959 . . . . 1.6299999999999999 110.421 -170.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -85.66 57.33 4.41 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 108.482 -0.933 . . . . 1.8500000000000001 108.482 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.24 150.63 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 128.235 2.614 . . . . 1.8200000000000001 108.707 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -74.94 121.67 22.28 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.528 1.058 . . . . 3.25 109.375 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pp -142.72 23.9 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 109.608 -0.516 . . . . 1.71 109.608 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.9 mtm-85 -63.2 -44.04 96.45 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 121.223 -0.923 . . . . 3.8799999999999999 111.524 -172.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.13 65.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.016 0.822 . . . . 1.8400000000000001 109.882 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -78.46 -44.06 25.6 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.536 -0.542 . . . . 2.8599999999999999 109.536 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.492 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 41.4 t -63.86 -46.87 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 119.509 -0.876 . . . . 1.6599999999999999 108.663 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -47.81 -60.42 2.59 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.945 -1.026 . . . . 2.3199999999999998 110.999 170.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.5 t -46.55 -48.65 19.42 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.346 0.975 . . . . 1.25 110.264 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.61 -51.12 71.18 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.373 0.508 . . . . 1.6000000000000001 112.373 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.1 mt -65.93 -42.02 90.63 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.552 1.141 . . . . 2.1299999999999999 111.508 -176.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -49.01 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.636 -0.876 . . . . 2.2000000000000002 108.636 174.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -62.64 -42.68 99.73 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 121.477 -0.089 . . . . 5.4299999999999997 110.994 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.1 77.05 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.963 0.905 . . . . 1.6399999999999999 110.305 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.35 45.69 0.29 Allowed Glycine 0 CA--C 1.523 0.572 0 C-N-CA 124.171 0.891 . . . . 0.52000000000000002 111.665 166.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -127.66 133.82 49.63 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 108.367 -0.975 . . . . 3.1499999999999999 108.367 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.2 p -82.54 123.5 29.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.976 -1.861 . . . . 2.7999999999999998 105.976 172.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 pp -125.98 176.87 6.69 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 123.879 0.737 . . . . 1.8500000000000001 109.445 169.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mtp-105 -128.31 140.94 51.6 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.614 -2.365 . . . . 6.1500000000000004 104.614 156.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.27 141.48 58.6 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 106.567 -1.642 . . . . 3.0099999999999998 106.567 171.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -105.97 177.62 4.8 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 113.41 -1.723 . . . . 2.96 111.402 172.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -59.49 166.16 2.51 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.511 -1.222 . . . . 4.4299999999999997 111.77 172.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.6 -61.47 1.88 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.953 0.882 . . . . 1.6799999999999999 109.881 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.22 171.39 19.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 106.503 -1.665 . . . . 2.52 106.503 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 125.882 1.673 . . . . 7.5800000000000001 111.296 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.464 0.23 0 N-CA-C 106.231 -1.766 . . . . 6.04 106.231 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.44 -172.11 31.05 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.617 -0.593 . . . . 2.71 111.617 178.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -98.96 144.79 27.73 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.397 -1.334 . . . . 1.5700000000000001 107.397 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -99.21 123.9 43.85 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.841 -1.072 . . . . 4.3099999999999996 108.691 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.0 m-85 -108.83 133.35 52.99 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.62 1.568 . . . . 3.0 111.785 174.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.5 t -106.39 153.13 22.68 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.548 0.739 . . . . 2.75 110.105 172.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.544 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -139.03 159.09 42.97 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.888 1.275 . . . . 1.0900000000000001 109.239 164.682 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -105.91 123.97 48.83 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 105.441 -2.059 . . . . 2.6699999999999999 105.441 168.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -105.03 166.83 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 124.419 1.087 . . . . 1.75 109.803 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -136.39 117.99 14.92 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.158 1.383 . . . . 1.5900000000000001 107.701 164.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.42 -30.04 3.21 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 126.23 1.871 . . . . 0.97999999999999998 111.639 176.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 33.3 ttp -77.06 75.73 3.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 121.646 -0.914 . . . . 3.2200000000000002 110.933 -173.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.62 59.96 1.33 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.951 0.882 . . . . 3.5299999999999998 111.119 167.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.83 145.09 18.24 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.288 -0.634 . . . . 2.3999999999999999 109.288 170.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 64.75 0.64 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 122.477 1.132 . . . . 2.8599999999999999 113.509 -171.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.0 -48.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.661 1.985 . . . . 2.3900000000000001 108.191 -171.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.2 m -68.91 -36.08 77.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.377 -0.971 . . . . 2.3599999999999999 108.377 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.41 -50.51 65.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 119.495 -0.288 . . . . 1.55 110.886 175.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.87 -50.76 72.78 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.631 -0.828 . . . . 4.4299999999999997 110.329 176.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -49.0 -46.16 43.47 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.645 -0.659 . . . . 3.8100000000000001 111.832 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.3 t -58.59 -59.01 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 123.407 0.683 . . . . 1.52 111.089 176.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -62.8 -45.54 92.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.915 -1.142 . . . . 2.1200000000000001 107.915 -170.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -59.9 -41.35 91.46 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 121.568 -0.708 . . . . 0.48999999999999999 109.729 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -19.33 22.23 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 113.09 0.774 . . . . 1.5600000000000001 113.09 174.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.2 m -100.9 -38.97 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 119.396 0.998 . . . . 3.0299999999999998 112.738 172.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -59.71 -31.46 69.62 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.569 -0.707 . . . . 4.6900000000000004 109.202 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -64.87 -14.92 61.11 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.468 0.914 . . . . 1.9399999999999999 113.468 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.49 -112.57 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.653 0.66 . . . . 1.6599999999999999 109.795 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.99 -49.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.917 0.887 . . . . 1.5800000000000001 108.621 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.0 -9.04 87.49 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 115.297 -0.865 . . . . 0.48999999999999999 113.31 -173.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.1 t -72.94 129.77 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 124.046 0.938 . . . . 1.6899999999999999 109.422 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -98.9 -63.71 1.1 Allowed 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.678 -0.86 . . . . 2.1200000000000001 108.678 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -137.65 104.46 5.33 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.976 0.911 . . . . 2.4700000000000002 108.55 -161.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 p -93.12 137.36 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.858 0.863 . . . . 2.5099999999999998 110.395 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -123.07 90.38 3.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.326 1.45 . . . . 2.29 109.725 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -89.3 117.65 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 105.453 -2.054 . . . . 2.7200000000000002 105.453 166.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.0 tp -120.23 113.84 21.01 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 106.913 -1.514 . . . . 1.8999999999999999 106.913 174.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -61.14 167.04 3.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.624 0.77 . . . . 3.7999999999999998 111.373 172.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.98 -47.02 0.57 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.67 2.388 . . . . 2.0299999999999998 112.703 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m -69.15 -26.07 64.69 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.562 0.745 . . . . 2.23 108.991 170.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 55.52 35.02 24.28 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.177 1.391 . . . . 4.3399999999999999 110.278 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.09 138.57 51.53 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.564 -1.273 . . . . 4.1600000000000001 107.564 -176.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.64 139.02 36.92 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 107.115 -1.439 . . . . 2.2000000000000002 107.115 177.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -124.79 147.51 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 O-C-N 123.711 0.632 . . . . 1.9099999999999999 110.094 159.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.0 t -137.38 121.43 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 125.439 1.496 . . . . 1.6299999999999999 107.537 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.68 123.97 39.49 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 106.702 -1.592 . . . . 4.0300000000000002 106.702 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.65 135.29 18.5 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.105 0.562 . . . . 1.6000000000000001 110.419 -173.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.68 57.91 4.62 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.24 -0.652 . . . . 2.1099999999999999 109.24 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 169.91 161.7 0.06 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.763 2.025 . . . . 1.6799999999999999 109.232 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -82.4 112.6 19.5 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.299 0.639 . . . . 3.9900000000000002 110.154 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 pp -134.22 18.56 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 124.24 1.016 . . . . 2.04 111.354 177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -61.47 -47.63 84.81 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.726 -1.234 . . . . 4.9100000000000001 110.982 -169.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.43 -31.18 67.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 123.929 0.768 . . . . 1.6200000000000001 110.356 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -76.05 -44.97 36.64 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.506 -0.553 . . . . 2.9700000000000002 109.506 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.511 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 33.0 t -63.36 -49.63 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 108.506 -0.924 . . . . 1.6299999999999999 108.506 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -49.92 -59.92 3.41 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.88 -1.057 . . . . 2.4199999999999999 110.625 174.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 t -47.76 -45.79 29.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.437 1.017 . . . . 1.24 110.518 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.19 -50.8 70.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.559 0.743 . . . . 1.6399999999999999 112.628 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 15.9 mt -68.1 -42.32 80.5 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.425 1.09 . . . . 1.97 110.516 -177.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -53.98 45.49 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.598 -0.728 . . . . 2.5899999999999999 109.603 173.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -65.27 -36.14 83.18 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.622 -0.831 . . . . 5.7000000000000002 111.663 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.03 72.18 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.032 -0.418 . . . . 1.6299999999999999 110.655 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.62 44.17 0.56 Allowed Glycine 0 CA--C 1.523 0.549 0 C-N-CA 124.284 0.945 . . . . 0.68999999999999995 111.61 167.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -131.77 130.2 41.55 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 108.775 -0.824 . . . . 3.4100000000000001 108.775 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -86.24 110.35 19.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.296 -1.372 . . . . 2.5600000000000001 107.296 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 pp -97.95 177.87 5.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.696 0.623 . . . . 2.3500000000000001 111.031 170.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -130.01 139.63 51.0 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.924 -1.88 . . . . 4.4299999999999997 105.924 159.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -74.66 112.32 10.74 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.903 -1.147 . . . . 3.1200000000000001 107.903 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -77.71 -178.77 5.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.816 -0.753 . . . . 2.4100000000000001 110.694 176.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -66.32 161.55 22.16 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.863 0.865 . . . . 4.3600000000000003 110.232 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.81 67.16 5.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.841 -0.537 . . . . 2.9300000000000002 109.688 173.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.51 58.31 0.53 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.346 1.459 . . . . 2.8799999999999999 112.147 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 C--O 1.251 1.168 0 N-CA-C 103.206 -2.887 . . . . 7.3099999999999996 103.206 152.701 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 CA--C 1.529 0.158 0 N-CA-C 108.309 -0.997 . . . . 5.8499999999999996 108.309 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.33 147.22 50.59 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.546 -1.022 . . . . 1.96 110.546 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.02 150.98 52.01 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 107.669 -1.234 . . . . 2.4199999999999999 107.669 168.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -98.59 138.31 35.96 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.703 -1.589 . . . . 6.1500000000000004 108.759 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.535 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.1 m-85 -118.63 135.17 54.6 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.731 2.012 . . . . 3.46 110.678 172.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.2 t -110.21 153.0 25.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.174 0.99 . . . . 2.7200000000000002 109.813 174.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.535 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 5.7 m-90 -138.25 156.54 47.57 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 124.418 1.087 . . . . 1.1100000000000001 109.109 168.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -111.73 109.53 19.43 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 106.271 -1.751 . . . . 2.6099999999999999 106.271 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.7 t -100.91 178.37 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.102 0.961 . . . . 1.6899999999999999 110.268 -175.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -153.43 106.93 2.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.016 1.326 . . . . 2.25 108.536 173.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.14 -34.65 1.82 Allowed Glycine 0 CA--C 1.529 0.924 0 C-N-CA 125.081 1.324 . . . . 0.97999999999999998 112.34 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -73.78 99.49 3.19 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.977 -0.719 . . . . 3.1200000000000001 110.668 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -151.87 77.37 1.22 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.257 0.623 . . . . 3.27 110.07 170.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -155.55 -93.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.042 0.937 . . . . 2.4399999999999999 110.385 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.11 -56.95 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.083 1.353 . . . . 2.23 108.738 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.31 -34.78 58.81 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.561 -0.745 . . . . 2.04 111.108 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.1 m -72.61 -43.56 63.14 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.258 -1.015 . . . . 2.6600000000000001 108.258 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.67 77.69 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.869 -0.419 . . . . 1.8799999999999999 109.869 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -63.57 -53.51 50.67 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.183 -1.007 . . . . 4.2599999999999998 109.84 178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -48.62 -40.58 28.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.2 -0.938 . . . . 5.0599999999999996 111.948 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.8 t -61.5 -62.06 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 123.376 0.67 . . . . 1.8500000000000001 110.553 171.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -59.38 -43.54 92.88 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 107.83 -1.174 . . . . 1.8500000000000001 107.83 -169.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -59.88 -41.22 91.07 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.802 1.241 . . . . 0.58999999999999997 109.754 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.92 -22.47 59.76 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.046 0.758 . . . . 2.1099999999999999 113.046 171.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.9 t -91.14 -39.38 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.889 1.276 . . . . 2.8300000000000001 110.924 172.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -66.24 -34.77 78.76 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 119.704 -1.872 . . . . 3.3900000000000001 109.676 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -60.85 -14.78 24.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.563 1.32 . . . . 0.81999999999999995 114.563 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.86 -104.06 0.0 OUTLIER 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.65 1.114 . . . . 1.78 110.925 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 174.88 -52.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.631 1.172 . . . . 1.8200000000000001 108.824 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.63 -18.49 78.65 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 115.172 -0.922 . . . . 0.44 112.813 -173.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -62.47 132.2 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 124.675 1.19 . . . . 1.6499999999999999 109.693 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -99.0 -62.75 1.19 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.173 -1.047 . . . . 2.0899999999999999 108.173 173.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -140.51 105.57 4.99 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.197 0.999 . . . . 2.5600000000000001 108.553 -163.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -101.15 134.11 42.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 123.977 0.911 . . . . 2.6000000000000001 109.213 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -134.92 104.09 5.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 122.668 1.223 . . . . 2.4199999999999999 109.078 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -95.17 127.63 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 127.828 2.451 . . . . 2.79 105.985 177.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.2 tp -125.88 123.04 37.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.161 -1.052 . . . . 1.55 108.161 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -71.51 170.03 14.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.553 0.741 . . . . 3.2400000000000002 112.526 176.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 69.72 -48.25 0.61 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.457 2.303 . . . . 2.27 112.635 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -67.94 -25.68 65.58 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.843 0.857 . . . . 2.1200000000000001 109.458 169.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 55.1 33.7 20.98 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.616 1.566 . . . . 4.25 111.063 179.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.14 137.2 47.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.935 -1.135 . . . . 2.4700000000000002 107.935 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.42 142.28 33.04 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.088 -1.449 . . . . 2.0 107.088 177.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.23 139.77 49.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 118.75 0.704 . . . . 1.8 111.858 165.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -133.9 123.92 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 C-N-CA 125.202 1.401 . . . . 1.49 108.187 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -96.52 124.11 40.4 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.228 -1.397 . . . . 4.2000000000000002 107.228 167.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.2 134.99 18.8 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.448 0.467 . . . . 1.6200000000000001 111.065 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.9 56.94 3.26 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.427 0.691 . . . . 2.3300000000000001 109.689 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 172.2 170.21 0.11 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.855 1.662 . . . . 1.71 109.193 175.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -80.86 110.77 16.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.58 1.952 . . . . 4.6600000000000001 109.695 171.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -138.84 19.31 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 O-C-N 121.687 -0.633 . . . . 1.8200000000000001 111.229 174.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -64.71 -47.11 79.54 Favored 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 120.701 -1.249 . . . . 3.46 110.924 -169.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.0 -31.03 69.54 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.781 -0.645 . . . . 1.3600000000000001 109.823 173.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -44.38 71.56 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.118 -0.697 . . . . 2.6800000000000002 109.118 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.515 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 44.9 t -66.55 -55.54 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 107.769 -1.197 . . . . 1.6699999999999999 107.769 -179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -43.75 -58.57 2.64 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 117.43 -1.272 . . . . 2.4100000000000001 109.79 175.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.5 t -45.26 -41.9 9.02 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.728 1.149 . . . . 1.6000000000000001 111.358 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.29 -45.63 72.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.194 0.598 . . . . 1.6200000000000001 110.791 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mp -68.4 -39.76 81.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.634 -0.666 . . . . 3.27 111.615 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.98 -54.52 46.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.358 -1.349 . . . . 3.0699999999999998 107.358 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -32.57 70.94 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 111.849 0.314 . . . . 5.46 111.849 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.55 83.55 Favored 'General case' 0 C--N 1.34 0.186 0 O-C-N 121.671 -0.643 . . . . 1.6899999999999999 111.161 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.75 47.03 0.54 Allowed Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.744 1.164 . . . . 0.68999999999999995 111.836 173.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -131.03 122.64 27.13 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 108.28 -1.008 . . . . 3.1299999999999999 108.28 173.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -83.74 121.8 27.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.238 -1.023 . . . . 2.71 108.238 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 pp -123.77 177.06 5.9 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.767 0.827 . . . . 1.9099999999999999 111.56 173.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -129.21 122.09 28.99 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 105.497 -2.038 . . . . 5.1699999999999999 105.497 169.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.39 124.17 19.85 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.555 -1.276 . . . . 4.1100000000000003 107.555 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -177.52 3.54 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 122.981 1.372 . . . . 2.77 109.483 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -66.53 161.21 23.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.723 -1.58 . . . . 4.3200000000000003 109.827 177.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.27 67.34 2.51 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.57 -0.741 . . . . 2.6600000000000001 109.331 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 72.81 -179.98 0.22 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.067 1.747 . . . . 2.8999999999999999 111.893 -175.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.261 1.709 0 N-CA-C 100.823 -3.769 . . . . 5.5999999999999996 100.823 153.194 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 104.368 -2.456 . . . . 5.0300000000000002 104.368 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.02 142.23 18.18 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 108.496 -1.842 . . . . 2.0800000000000001 108.496 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.21 149.31 41.31 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 107.596 -1.261 . . . . 1.97 107.596 175.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -99.76 144.57 28.68 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 107.781 -1.192 . . . . 3.8900000000000001 107.781 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.526 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 15.1 m-85 -130.88 132.89 45.43 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.192 1.797 . . . . 3.04 109.749 170.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 94.1 p -108.99 154.64 21.89 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 118.822 0.737 . . . . 2.3999999999999999 110.892 173.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -141.11 159.9 41.24 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.603 0.761 . . . . 1.1000000000000001 109.841 169.377 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -111.51 96.2 5.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.846 1.659 . . . . 3.02 107.754 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.48 142.45 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 124.483 1.113 . . . . 1.8400000000000001 109.763 -173.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 t -135.63 70.12 1.43 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.068 0.947 . . . . 1.8 108.839 -162.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.57 -38.96 0.03 OUTLIER Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.952 -0.642 . . . . 1.0700000000000001 112.007 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.56 111.98 4.46 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 118.655 -1.218 . . . . 3.0899999999999999 110.959 175.25 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -145.37 72.86 1.33 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.132 0.973 . . . . 3.46 111.547 172.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.9 t -165.72 -63.03 0.03 OUTLIER 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.8 -0.562 . . . . 2.8900000000000001 111.624 169.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 150.08 -53.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 127.972 2.509 . . . . 2.7599999999999998 108.992 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.04 -38.73 65.5 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.276 0.56 . . . . 2.71 110.889 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -67.16 -33.6 75.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.284 1.033 . . . . 4.0099999999999998 109.763 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.16 90.07 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.36 -0.608 . . . . 1.9299999999999999 109.36 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -62.22 -46.82 87.18 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 119.716 -0.794 . . . . 3.4300000000000002 110.147 176.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -49.71 -41.43 43.42 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.132 -0.98 . . . . 4.7400000000000002 111.788 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.6 -60.49 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.939 0.896 . . . . 1.74 109.694 174.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -60.88 -45.93 92.62 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.956 -1.127 . . . . 1.99 107.956 -172.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -58.16 -40.61 81.86 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.25 1.02 . . . . 0.58999999999999997 109.434 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 -21.96 62.35 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.012 0.745 . . . . 1.6699999999999999 113.012 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.2 t -92.47 -41.47 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.677 1.191 . . . . 2.9300000000000002 110.662 173.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -62.13 -34.88 77.19 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 120.321 -1.487 . . . . 3.3700000000000001 110.056 -174.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -58.81 -13.94 7.49 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.753 1.39 . . . . 0.62 114.753 176.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.41 -112.31 0.0 OUTLIER 'General case' 0 C--N 1.343 0.317 0 CA-C-N 119.987 1.267 . . . . 2.2599999999999998 111.243 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.67 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.743 0.817 . . . . 1.6699999999999999 109.462 -173.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.27 -12.43 84.59 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-N 115.705 -0.68 . . . . 0.46000000000000002 113.034 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.8 t -64.05 139.09 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 C-N-CA 124.511 1.124 . . . . 1.6100000000000001 108.929 173.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -108.93 -45.23 3.83 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.581 -0.896 . . . . 2.3700000000000001 108.581 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -161.19 154.58 21.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.467 -1.309 . . . . 2.6200000000000001 107.467 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.62 157.14 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 124.627 1.171 . . . . 3.4399999999999999 110.536 -174.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.85 101.63 4.97 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.075 1.35 . . . . 4.1299999999999999 110.867 170.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 m -95.54 76.36 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 127.909 2.484 . . . . 2.6800000000000002 109.823 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.3 tp -93.66 90.58 6.67 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 105.479 -2.045 . . . . 2.3900000000000001 105.479 -174.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -61.44 166.37 4.06 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 113.664 -1.607 . . . . 4.3300000000000001 109.693 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.59 -49.76 0.7 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.132 1.373 . . . . 4.0899999999999999 111.421 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 m -70.0 -3.52 16.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.825 0.85 . . . . 2.77 111.521 170.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 64.9 29.08 12.58 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.044 0.937 . . . . 6.1799999999999997 110.795 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.56 121.57 17.8 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 121.24 -0.912 . . . . 3.0099999999999998 112.425 -169.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.06 141.27 32.03 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 106.999 -1.482 . . . . 3.29 106.999 171.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -127.52 145.99 34.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 123.544 0.528 . . . . 2.1000000000000001 111.368 156.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.3 t -132.52 129.17 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 125.794 1.638 . . . . 1.73 107.806 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.88 119.37 38.32 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.773 1.629 . . . . 2.23 108.764 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.68 144.13 24.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.029 1.332 . . . . 1.74 111.927 -163.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.95 56.74 1.73 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.039 0.936 . . . . 2.5499999999999998 109.546 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 171.67 172.3 0.09 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.62 1.968 . . . . 1.6899999999999999 107.45 173.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -86.12 123.68 31.69 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 118.948 0.794 . . . . 3.2000000000000002 109.03 165.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -133.93 23.22 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.343 1.057 . . . . 2.0099999999999998 110.057 166.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.0 mtp-105 -65.49 -50.13 66.47 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 120.108 -1.62 . . . . 4.5199999999999996 111.662 -168.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.14 -24.29 62.89 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.437 -0.801 . . . . 1.4199999999999999 109.531 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -48.22 33.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.215 -1.031 . . . . 2.6499999999999999 108.215 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.478 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 43.1 t -64.11 -47.68 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 115.359 -0.837 . . . . 1.6599999999999999 108.863 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -48.72 -61.33 2.09 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 117.508 -1.234 . . . . 2.9300000000000002 111.474 171.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 t -50.48 -44.67 55.86 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.742 1.156 . . . . 1.4099999999999999 110.232 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.75 72.65 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.719 0.637 . . . . 1.4399999999999999 112.719 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 35.1 mt -66.03 -44.95 83.18 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.559 0.744 . . . . 2.0899999999999999 109.995 -176.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.45 -52.15 55.58 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.34 -0.845 . . . . 3.5299999999999998 109.347 173.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -62.39 -40.21 95.73 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.139 -0.35 . . . . 5.6600000000000001 111.524 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.17 73.82 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.484 0.714 . . . . 1.6899999999999999 110.333 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.62 54.93 0.22 Allowed Glycine 0 C--N 1.334 0.435 0 N-CA-C 110.254 -1.139 . . . . 0.56000000000000005 110.254 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -132.44 175.36 9.36 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.92 -1.511 . . . . 3.1200000000000001 106.92 171.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 p -121.55 121.12 36.73 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.285 -2.487 . . . . 2.4300000000000002 104.285 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.4 pp -113.72 176.4 5.05 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.834 0.349 . . . . 2.1099999999999999 110.858 170.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -132.39 128.99 38.76 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.404 -2.073 . . . . 4.5099999999999998 105.404 165.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.78 104.92 0.32 Allowed 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.95 1.3 . . . . 3.3700000000000001 109.004 176.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.45 168.2 15.72 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.598 0.713 . . . . 3.0 111.669 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.3 pm0 -51.41 167.47 0.09 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.832 1.653 . . . . 4.5 112.049 167.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.46 -64.57 0.85 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.607 0.718 . . . . 1.6899999999999999 110.059 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.58 -179.49 8.21 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 106.907 -1.516 . . . . 2.6699999999999999 106.907 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 . . . . . 0 C--O 1.256 1.436 0 N-CA-C 104.05 -2.574 . . . . 5.1399999999999997 104.05 153.028 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 108.049 -1.093 . . . . 5.0199999999999996 108.049 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.19 168.79 54.84 Favored Glycine 0 C--O 1.242 0.602 0 N-CA-C 112.005 -0.438 . . . . 2.4199999999999999 112.005 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.1 m -125.51 144.26 50.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.057 1.343 . . . . 2.5499999999999998 111.425 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -98.41 138.16 36.05 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.786 -2.006 . . . . 6.5199999999999996 108.102 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.5 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 21.8 m-85 -117.75 132.3 56.48 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 128.129 2.571 . . . . 3.23 110.487 166.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.2 t -113.52 150.37 33.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.101 1.36 . . . . 2.5499999999999998 109.358 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.5 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -141.43 155.89 45.83 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 123.996 0.919 . . . . 1.1499999999999999 111.447 169.178 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -111.18 101.1 9.64 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.914 1.685 . . . . 2.9700000000000002 106.993 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -106.28 167.24 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 119.545 1.066 . . . . 2.27 110.619 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -139.66 102.72 4.51 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 107.814 -1.18 . . . . 1.98 107.814 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.93 -21.75 1.27 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 122.986 0.327 . . . . 0.92000000000000004 113.215 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 mtm -64.81 108.89 1.88 Allowed 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.936 -0.743 . . . . 4.3899999999999997 112.328 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.1 p-10 -142.16 -9.77 0.87 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.447 1.277 . . . . 4.8499999999999996 114.447 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 m -122.77 141.65 51.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.663 1.12 . . . . 2.9399999999999999 112.178 -161.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.26 -51.72 10.48 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.308 0.855 . . . . 2.5899999999999999 113.308 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.35 75.18 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.384 0.674 . . . . 2.1699999999999999 111.721 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -70.42 -40.63 73.72 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.628 -0.878 . . . . 2.46 108.628 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.66 -48.78 74.44 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.874 -0.417 . . . . 1.95 109.874 175.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 mtt85 -63.3 -52.27 62.64 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 118.599 -1.24 . . . . 4.9199999999999999 110.874 176.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -48.63 -41.56 31.51 Favored 'General case' 0 C--O 1.223 -0.312 0 O-C-N 121.197 -0.939 . . . . 5.9699999999999998 111.649 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.5 t -62.09 -59.48 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.339 1.056 . . . . 1.78 112.33 175.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -60.6 -44.78 95.88 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 106.835 -1.542 . . . . 1.8799999999999999 106.835 -173.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -66.87 -32.09 73.13 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.075 -1.016 . . . . 0.71999999999999997 111.065 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.76 -26.25 44.9 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-O 118.613 -0.708 . . . . 1.6000000000000001 111.655 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 m -98.06 -43.98 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 118.931 0.787 . . . . 3.3300000000000001 112.507 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -61.37 -25.7 67.34 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.47 -0.769 . . . . 3.1899999999999999 110.894 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -67.72 -13.85 62.46 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 112.787 0.662 . . . . 0.62 112.787 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -112.41 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.883 0.873 . . . . 2.1099999999999999 109.081 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.22 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.966 1.306 . . . . 1.6200000000000001 108.514 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.51 -19.44 79.86 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 115.491 -0.777 . . . . 0.40000000000000002 113.249 -173.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.79 131.35 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.457 0.703 . . . . 1.77 109.648 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -99.38 -51.03 3.91 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.383 -1.34 . . . . 2.0699999999999998 107.383 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -147.21 155.25 41.93 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.197 -1.409 . . . . 2.7200000000000002 107.197 -171.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.64 141.1 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.759 1.224 . . . . 2.6000000000000001 109.285 -171.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -124.19 91.86 3.54 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.077 1.351 . . . . 2.3799999999999999 108.932 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.4 101.33 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.824 1.25 . . . . 3.25 107.875 172.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -104.16 108.46 19.84 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.682 -0.858 . . . . 1.9399999999999999 108.682 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -63.09 168.27 4.26 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-O 121.361 0.601 . . . . 3.4399999999999999 111.243 168.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.85 -47.67 0.65 Allowed 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 126.33 1.852 . . . . 2.1299999999999999 111.803 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.36 4.14 21.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.247 1.019 . . . . 1.9399999999999999 112.276 172.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 35.67 33.64 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.177 2.591 . . . . 4.6299999999999999 115.142 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.67 130.03 56.1 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.903 -0.777 . . . . 2.6099999999999999 108.903 -171.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.49 139.2 34.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.175 -1.787 . . . . 2.0299999999999998 106.175 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.9 t -126.29 144.08 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 O-C-N 123.669 0.605 . . . . 2.0600000000000001 109.845 160.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 67.0 t -132.9 125.03 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 106.133 -1.803 . . . . 1.6299999999999999 106.133 176.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -110.78 99.43 8.36 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 106.554 -1.647 . . . . 2.7400000000000002 106.554 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.02 143.07 49.8 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.028 1.331 . . . . 1.5600000000000001 110.024 -168.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.71 58.91 0.85 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.595 -0.52 . . . . 2.02 109.595 -174.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.15 -32.31 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.704 1.372 . . . . 2.75 114.704 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.5 t0 78.64 127.05 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 127.628 2.371 . . . . 3.1200000000000001 110.111 -166.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -149.19 32.06 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 C-N-CA 125.666 1.586 . . . . 1.7 108.12 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 mtm-85 -60.49 -49.12 78.81 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 121.194 -0.941 . . . . 3.7799999999999998 111.949 -166.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.05 -31.78 63.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 123.896 0.748 . . . . 1.45 110.702 174.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -77.57 -45.0 26.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.445 -0.784 . . . . 2.6400000000000001 109.53 -173.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 24.6 t -65.33 -46.75 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 109.159 -0.682 . . . . 1.8100000000000001 109.159 175.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -50.55 -55.05 17.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.184 -0.912 . . . . 3.2400000000000002 110.354 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.1 t -49.86 -48.14 51.42 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.579 0.627 . . . . 1.29 110.392 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.23 -49.17 78.88 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.471 0.545 . . . . 1.6499999999999999 112.471 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 19.5 mt -65.03 -42.51 94.29 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.593 -0.692 . . . . 2.0099999999999998 110.121 -177.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -52.25 66.1 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.99 -0.744 . . . . 2.1600000000000001 108.99 175.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -56.19 -41.99 76.4 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.667 0.27 . . . . 4.6299999999999999 111.077 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.53 -17.52 62.88 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 125.117 1.367 . . . . 1.6000000000000001 112.941 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.79 46.79 1.01 Allowed Glycine 0 C--N 1.339 0.715 0 C-N-CA 125.056 1.313 . . . . 0.51000000000000001 112.342 166.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -134.05 155.91 49.17 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.021 0.91 . . . . 3.3399999999999999 110.137 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.1 m -104.05 118.81 37.56 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.574 -1.639 . . . . 2.0800000000000001 106.574 168.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 pp -113.83 174.23 6.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.246 1.018 . . . . 2.27 109.367 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -133.65 137.47 45.39 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 105.282 -2.118 . . . . 4.3399999999999999 105.282 166.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -68.84 120.69 15.16 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 107.908 -1.145 . . . . 3.2599999999999998 107.908 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.01 178.67 5.68 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.015 -1.448 . . . . 2.8100000000000001 109.649 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -56.47 162.56 2.11 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.613 0.72 . . . . 4.7400000000000002 110.423 164.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.51 -63.44 1.13 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.39 -0.967 . . . . 1.73 108.39 168.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.56 -51.92 0.11 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 124.635 1.174 . . . . 2.7999999999999998 109.405 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--O 1.26 1.65 0 N-CA-C 102.323 -3.214 . . . . 7.6500000000000004 102.323 167.603 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 107.554 -1.276 . . . . 5.9800000000000004 107.554 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.44 129.83 3.79 Favored Glycine 0 C--N 1.333 0.389 0 N-CA-C 109.441 -1.464 . . . . 3.0299999999999998 109.441 -175.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 m -141.26 145.2 35.24 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 121.19 -1.182 . . . . 2.1000000000000001 108.971 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -96.64 113.62 25.2 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 125.041 1.463 . . . . 4.2300000000000004 107.916 -174.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.534 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 18.2 m-85 -100.23 124.04 45.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 118.594 -0.717 . . . . 3.1099999999999999 112.544 171.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -99.43 145.52 27.32 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 124.227 0.955 . . . . 2.4199999999999999 109.392 177.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.534 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 1.2 m-90 -131.25 157.33 43.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.656 0.662 . . . . 1.1599999999999999 110.213 163.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -103.49 101.03 10.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.273 -1.751 . . . . 4.5300000000000002 106.273 171.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -96.02 -179.64 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 119.335 0.97 . . . . 2.2599999999999998 109.072 -174.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 p -157.2 118.84 3.73 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.94 -0.475 . . . . 3.9700000000000002 110.303 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.89 -22.91 5.08 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.344 1.449 . . . . 0.71999999999999997 112.05 168.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.37 87.37 7.21 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 117.491 0.645 . . . . 2.75 109.479 -177.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -140.66 80.58 1.76 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.9 0.381 . . . . 2.9399999999999999 110.033 168.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.97 -88.34 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.577 0.751 . . . . 2.52 109.95 174.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.96 -60.2 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.43 1.092 . . . . 2.1000000000000001 109.556 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.85 -32.78 61.02 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.917 -0.489 . . . . 1.8300000000000001 111.252 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.7 m -74.38 -33.82 63.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.317 -0.623 . . . . 3.1299999999999999 109.317 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.34 -45.74 90.54 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.685 -0.857 . . . . 1.6799999999999999 108.685 173.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -59.95 -52.05 67.08 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 118.884 -1.127 . . . . 3.3300000000000001 111.106 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -42.95 61.12 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.444 -0.902 . . . . 3.8700000000000001 111.392 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.4 t -56.04 -62.85 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.31 0.644 . . . . 1.8600000000000001 111.789 173.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -59.3 -44.45 92.51 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 107.567 -1.271 . . . . 1.97 107.567 -170.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -64.88 -34.25 77.94 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.941 0.896 . . . . 0.47999999999999998 110.682 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.33 -21.71 50.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.264 -0.874 . . . . 1.4199999999999999 112.041 171.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.0 m -102.48 -39.97 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 119.297 0.953 . . . . 3.25 112.932 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.35 -25.35 65.78 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.365 -0.834 . . . . 3.3500000000000001 110.926 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -69.82 -12.98 62.04 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.243 0.831 . . . . 0.63 113.243 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -119.08 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.538 1.135 . . . . 2.0800000000000001 108.778 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.51 -46.32 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.177 0 O-C-N 121.244 -0.91 . . . . 1.53 108.879 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.42 -20.44 71.93 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 115.758 -0.656 . . . . 0.45000000000000001 112.846 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.91 139.14 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.644 0.778 . . . . 1.7 109.156 173.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -130.5 -47.86 1.07 Allowed 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.84 -0.6 . . . . 2.7999999999999998 112.005 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.87 104.81 8.03 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.03 0.832 . . . . 2.5 109.444 -173.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.45 138.22 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 121.408 -0.807 . . . . 2.7000000000000002 110.931 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -122.46 93.87 4.11 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.824 2.449 . . . . 2.27 107.243 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.3 m -91.86 110.87 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.558 -1.645 . . . . 2.8300000000000001 106.558 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 tp -120.16 112.57 19.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.467 -0.938 . . . . 1.97 108.467 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -63.2 165.7 7.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.757 0.823 . . . . 3.3900000000000001 111.388 168.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.17 -50.33 0.7 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.961 2.104 . . . . 2.29 111.832 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -64.63 -22.7 67.04 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.889 -0.782 . . . . 2.4100000000000001 108.889 161.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 58.63 41.11 22.67 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.122 1.369 . . . . 4.5999999999999996 108.779 174.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.23 135.82 51.16 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.571 0.7 . . . . 4.1500000000000004 112.332 -167.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.56 119.56 38.95 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 126.984 2.113 . . . . 2.79 106.145 -176.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 18.9 t -122.1 102.39 11.73 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.562 0 O-C-N 124.055 0.847 . . . . 1.99 110.182 173.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.4 t -104.38 113.6 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.408 -0.96 . . . . 1.7 108.408 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -97.16 113.54 25.13 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 105.804 -1.925 . . . . 2.4900000000000002 105.804 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -138.0 142.53 40.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.453 1.101 . . . . 1.53 110.01 -168.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.48 58.83 2.84 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.534 -0.543 . . . . 1.97 109.534 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 166.49 158.76 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 128.07 2.548 . . . . 1.75 107.528 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -76.32 126.17 30.5 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 108.347 -0.983 . . . . 3.1400000000000001 108.347 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.4 pp -139.54 21.98 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 123.276 0.631 . . . . 1.8899999999999999 109.965 173.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -63.62 -48.43 77.35 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 120.767 -1.208 . . . . 4.2800000000000002 111.933 -165.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.87 -34.18 62.7 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.749 0.656 . . . . 1.3899999999999999 110.008 172.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -75.66 -39.52 57.5 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.36 -0.607 . . . . 2.75 109.36 -173.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.494 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 47.1 t -66.51 -54.62 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.075 0 N-CA-C 107.719 -1.215 . . . . 1.72 107.719 174.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -42.9 -56.55 3.22 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.605 0.762 . . . . 2.4399999999999999 111.761 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.0 t -47.45 -43.6 24.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.072 0.463 . . . . 1.3500000000000001 111.099 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.05 -48.93 72.05 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 122.849 0.46 . . . . 1.5600000000000001 110.129 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -68.17 -39.67 82.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.913 0.485 . . . . 3.3900000000000001 111.425 -175.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -50.13 68.56 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.423 -0.954 . . . . 2.3500000000000001 108.423 173.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -67.57 -36.93 81.88 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.173 0.434 . . . . 5.1600000000000001 112.173 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.08 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.956 0.902 . . . . 1.74 110.134 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.22 41.45 0.4 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 124.724 1.154 . . . . 0.76000000000000001 111.781 168.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -128.96 126.52 39.78 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 118.02 0.91 . . . . 3.5899999999999999 109.558 177.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 m -83.65 117.75 23.39 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.713 -1.217 . . . . 2.0800000000000001 107.713 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 pp -127.1 171.25 11.55 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.39 1.076 . . . . 1.95 109.862 173.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -139.09 125.84 20.81 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.82 -2.659 . . . . 5.2400000000000002 103.82 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -41.89 109.65 0.14 Allowed 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.56 1.544 . . . . 3.5299999999999998 110.465 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.36 158.59 16.09 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.857 0.837 . . . . 3.3999999999999999 109.576 -174.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -53.41 153.69 3.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.22 1.01 . . . . 5.1399999999999997 112.659 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.48 52.93 1.22 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.904 0.882 . . . . 2.21 110.535 175.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 70.58 147.21 0.07 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.569 1.948 . . . . 3.2000000000000002 110.027 -161.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.253 1.277 0 CA-C-O 117.381 -1.295 . . . . 6.8700000000000001 108.504 167.197 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 107.182 -1.414 . . . . 7.0899999999999999 107.182 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -38.36 130.4 1.68 Allowed Glycine 0 C--N 1.335 0.508 0 C-N-CA 126.049 1.785 . . . . 2.5600000000000001 113.375 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.0 m -139.78 153.77 47.22 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 106.989 -1.486 . . . . 2.1600000000000001 106.989 164.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -101.2 114.29 28.12 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 113.676 -1.602 . . . . 4.1600000000000001 108.126 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.609 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 9.9 m-85 -95.69 121.15 37.09 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 124.518 1.127 . . . . 3.4700000000000002 110.58 176.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.3 m -98.5 152.45 19.53 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 123.79 0.681 . . . . 2.3999999999999999 110.002 174.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.609 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -144.19 169.03 18.66 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.14 0.576 . . . . 1.25 111.175 159.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 126.05 51.74 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.243 1.817 . . . . 3.3599999999999999 106.177 170.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.9 t -119.51 88.48 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 119.235 0.925 . . . . 2.4300000000000002 110.599 -169.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 t -82.1 81.56 7.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.326 -0.99 . . . . 2.0099999999999998 108.326 -163.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.85 -23.44 0.91 Allowed Glycine 0 CA--C 1.528 0.852 0 CA-C-N 115.159 -0.928 . . . . 0.87 111.665 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.9 ttp -73.25 76.73 1.32 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.386 1.093 . . . . 2.96 111.384 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -141.19 58.05 1.53 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.723 0.773 . . . . 3.04 111.422 171.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -146.0 141.32 27.58 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.595 -0.691 . . . . 2.6299999999999999 109.464 168.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.45 69.28 0.15 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.949 1.7 . . . . 2.8799999999999999 111.303 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 171.95 -43.96 0.01 OUTLIER 'General case' 0 C--O 1.236 0.363 0 C-N-CA 127.024 2.13 . . . . 2.2599999999999998 108.959 -168.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.19 -48.53 56.77 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.681 -1.229 . . . . 2.2999999999999998 107.681 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.53 -47.72 57.48 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.282 0.364 . . . . 1.76 111.032 177.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.3 mtt-85 -59.99 -48.06 83.27 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 120.366 -0.534 . . . . 4.5700000000000003 110.245 175.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -46.11 63.68 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.184 -0.948 . . . . 4.7699999999999996 110.1 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 90.2 t -58.96 -61.87 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 122.586 0.354 . . . . 2.02 111.011 174.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.35 -44.75 92.63 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 106.516 -1.661 . . . . 2.2000000000000002 106.516 -166.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -65.8 -39.24 90.74 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 121.239 -0.913 . . . . 1.1699999999999999 110.204 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.6 -19.37 48.46 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.962 0.727 . . . . 2.0 112.962 169.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 63.2 t -88.25 -47.57 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 124.095 0.958 . . . . 2.7000000000000002 109.439 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.6 mtm105 -64.17 -29.98 71.07 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 120.067 -1.646 . . . . 4.3899999999999997 111.276 -173.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -60.23 -16.83 37.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 117.989 -1.005 . . . . 0.93000000000000005 113.477 178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.0 mt -63.88 -104.97 0.0 OUTLIER 'General case' 0 C--N 1.344 0.344 0 CA-C-N 119.086 0.857 . . . . 1.6299999999999999 110.769 -178.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 175.49 -50.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.554 1.141 . . . . 1.52 109.146 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.15 -13.32 81.13 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 115.532 -0.758 . . . . 0.48999999999999999 112.606 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.8 t -58.52 144.24 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 123.62 0.768 . . . . 1.74 109.087 168.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -120.2 -47.84 2.35 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 119.169 -0.444 . . . . 2.8399999999999999 109.961 164.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -130.63 159.3 37.6 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.567 0.699 . . . . 2.54 109.451 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -156.33 137.74 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 107.303 -1.369 . . . . 2.4100000000000001 107.303 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -136.54 98.54 3.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.564 -1.273 . . . . 2.5099999999999998 107.564 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.4 m -93.92 131.52 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 C-N-CA 126.709 2.004 . . . . 2.5600000000000001 105.664 175.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -132.51 116.14 16.37 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.928 -0.767 . . . . 1.72 108.928 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -63.57 161.18 15.13 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 124.436 1.094 . . . . 4.4299999999999997 111.838 172.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.08 -38.43 0.42 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 129.326 3.05 . . . . 2.2000000000000002 111.095 175.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.1 m -75.82 -17.88 59.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.989 1.316 . . . . 2.25 109.901 164.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 45.92 43.56 10.39 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.228 1.411 . . . . 3.8100000000000001 110.76 -171.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.02 129.65 45.31 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.411 -0.959 . . . . 2.4199999999999999 108.411 -175.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.33 128.5 44.78 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 105.074 -2.195 . . . . 2.7599999999999998 105.074 160.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 t -127.76 126.8 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 O-C-N 124.24 0.963 . . . . 1.95 109.402 155.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.8 t -115.55 133.2 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 124.855 1.262 . . . . 1.76 110.045 171.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -114.29 106.75 14.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.096 1.758 . . . . 2.9399999999999999 106.374 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -138.96 121.48 16.18 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.494 1.118 . . . . 1.73 110.703 -170.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.51 59.94 5.75 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 124.918 1.287 . . . . 2.0099999999999998 110.125 -174.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -174.3 -35.74 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.269 1.428 . . . . 2.7599999999999998 111.468 175.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.7 t0 80.0 136.59 0.06 Allowed 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 128.964 2.906 . . . . 3.73 111.618 -171.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 pp -156.73 26.3 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 128.333 2.653 . . . . 1.8899999999999999 110.145 -169.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -54.83 -49.55 70.76 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 121.266 1.848 . . . . 4.4000000000000004 112.631 -173.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.36 -31.12 68.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 123.406 0.441 . . . . 1.4099999999999999 110.523 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -51.3 37.29 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.673 -0.492 . . . . 3.0 109.673 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.483 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 45.3 t -65.45 -48.28 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 108.158 -1.053 . . . . 1.72 108.158 -177.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -50.78 -60.83 2.65 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 117.177 -1.392 . . . . 2.79 110.814 174.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -48.54 -47.2 39.43 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 120.501 1.5 . . . . 1.49 110.855 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.52 -51.75 68.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.709 0.404 . . . . 1.54 111.744 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.89 -46.58 87.17 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.218 1.007 . . . . 2.5299999999999998 110.565 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.45 -52.78 34.94 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.11 0.964 . . . . 3.4500000000000002 108.689 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -63.8 -42.45 97.72 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 121.108 -0.237 . . . . 5.2000000000000002 111.527 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -40.04 81.21 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 123.826 0.85 . . . . 1.75 110.685 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.98 57.7 0.15 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.677 -0.969 . . . . 0.92000000000000004 110.677 172.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -128.88 177.6 6.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.0 0.92 . . . . 3.3300000000000001 108.565 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 p -136.07 125.97 25.84 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.469 -1.308 . . . . 2.6899999999999999 107.469 172.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.06 168.32 20.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.411 1.084 . . . . 2.9199999999999999 110.133 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.27 121.27 16.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.254 -3.239 . . . . 5.9199999999999999 102.254 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -61.52 100.45 0.14 Allowed 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 122.955 1.36 . . . . 2.73 111.965 -167.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -81.05 163.18 23.4 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 113.961 -1.472 . . . . 3.3900000000000001 110.379 -166.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -59.25 149.72 27.78 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.214 -0.903 . . . . 6.8700000000000001 110.615 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.97 69.25 2.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.135 0.974 . . . . 2.29 109.551 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 68.59 -59.39 0.46 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.614 1.966 . . . . 3.6800000000000002 112.098 -172.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.25 1.083 0 C-N-CA 124.19 0.996 . . . . 6.9400000000000004 109.126 -161.5 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 110.609 -0.145 . . . . 7.1900000000000004 110.609 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.09 -120.84 3.25 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 109.639 -1.384 . . . . 2.75 109.639 177.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.53 156.36 42.32 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 108.829 -0.804 . . . . 2.1200000000000001 108.829 176.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.8 138.33 47.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.027 1.331 . . . . 4.6699999999999999 109.017 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.457 ' CB ' ' CH2' ' A' ' 8' ' ' TRP . 9.9 m-85 -139.33 148.39 42.85 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 117.59 -1.195 . . . . 3.0800000000000001 112.464 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -122.81 154.91 37.59 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.896 1.225 . . . . 3.1800000000000002 113.506 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.462 ' CE3' HG13 ' A' ' 56' ' ' VAL . 10.2 m-90 -134.7 152.01 51.44 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 127.034 2.134 . . . . 3.0600000000000001 108.389 170.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -103.95 82.92 2.04 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.092 1.357 . . . . 3.4399999999999999 108.326 -171.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.39 90.65 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-O 121.835 0.826 . . . . 2.4399999999999999 110.29 -155.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.54 95.44 9.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 106.712 -1.588 . . . . 1.74 106.712 -174.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.3 -27.22 0.88 Allowed Glycine 0 CA--C 1.526 0.739 0 CA-C-N 114.409 -1.269 . . . . 1.0800000000000001 110.031 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.4 ttp -69.88 85.82 0.51 Allowed 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 122.124 -0.633 . . . . 3.1600000000000001 110.016 173.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.437 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 60.7 t0 -130.56 77.73 1.8 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.975 0.51 . . . . 3.3999999999999999 110.432 167.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.64 140.6 0.1 Allowed 'General case' 0 C--N 1.34 0.155 0 C-N-CA 125.123 1.369 . . . . 2.8500000000000001 108.382 171.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.74 94.45 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.409 1.004 . . . . 2.2200000000000002 112.028 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.92 -32.2 71.7 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.746 -0.596 . . . . 2.1499999999999999 111.28 174.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.3 m -83.12 -32.42 26.71 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.392 1.077 . . . . 2.6299999999999999 109.094 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.66 -43.43 72.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.877 -0.515 . . . . 1.8500000000000001 109.847 168.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.1 mtt85 -55.74 -45.49 78.02 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 121.061 -1.024 . . . . 4.75 111.818 172.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -35.4 22.22 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.571 -1.331 . . . . 4.46 112.369 175.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.4 t -67.01 -55.41 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 119.592 1.087 . . . . 1.6100000000000001 112.101 175.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -61.09 -41.81 97.34 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 106.977 -1.49 . . . . 1.99 106.977 -176.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -67.62 -35.54 79.12 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.601 -1.312 . . . . 0.52000000000000002 109.515 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.96 -30.11 58.27 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-O 118.312 -0.851 . . . . 2.0899999999999999 112.42 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.426 HG11 ' CG2' ' A' ' 56' ' ' VAL . 16.1 m -93.2 -38.89 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 119.648 1.113 . . . . 3.3399999999999999 112.457 174.475 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -61.21 -31.07 70.84 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.201 -0.937 . . . . 3.4399999999999999 109.764 -174.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -67.68 -14.03 62.6 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.998 1.11 . . . . 0.73999999999999999 113.998 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.15 -113.66 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.284 0.947 . . . . 1.76 109.435 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.99 -48.46 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 124.701 1.201 . . . . 1.7 108.55 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.78 -5.33 86.54 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 115.859 -0.609 . . . . 0.57999999999999996 113.588 -172.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.4 t -67.21 132.19 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.858 0.863 . . . . 1.5 108.697 173.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -99.14 -53.71 3.17 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.237 -1.023 . . . . 1.95 108.237 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -154.05 141.65 19.87 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.088 -1.449 . . . . 2.7999999999999998 107.088 -168.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -131.99 135.16 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.364 1.466 . . . . 2.7999999999999998 108.025 -172.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -114.99 86.79 2.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.898 1.279 . . . . 2.3399999999999999 107.799 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.4 93.19 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 125.133 1.373 . . . . 3.21 107.634 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.19 74.41 3.4 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 105.744 -1.947 . . . . 1.74 105.744 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 3.8 t80 -63.56 85.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 114.297 -1.32 . . . . 4.9199999999999999 108.294 169.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.14 -41.6 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 129.294 3.038 . . . . 3.3500000000000001 107.65 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -110.28 23.31 14.45 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.659 0.784 . . . . 2.25 112.081 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 40.02 45.67 1.66 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.783 1.633 . . . . 4.5599999999999996 110.731 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.91 133.08 37.3 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 103.138 -2.912 . . . . 2.6400000000000001 103.138 -169.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.28 144.44 26.46 Favored 'General case' 0 N--CA 1.414 -2.236 0 O-C-N 125.103 1.502 . . . . 2.75 108.392 156.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 t -122.84 146.77 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 108.37 -0.974 . . . . 1.8100000000000001 108.37 148.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -135.47 107.0 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 127.59 2.356 . . . . 2.2799999999999998 105.425 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.8 108.14 20.36 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.026 -1.101 . . . . 2.27 108.026 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.73 150.64 43.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.212 1.005 . . . . 1.76 111.036 -167.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.38 59.26 1.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.008 1.323 . . . . 2.0099999999999998 108.814 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.41 166.85 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.309 2.243 . . . . 1.78 109.859 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -91.8 81.87 5.21 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.563 2.345 . . . . 4.5700000000000003 110.913 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -106.77 16.8 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.185 0.994 . . . . 1.9099999999999999 112.437 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.442 ' HD2' ' CD1' ' A' ' 6' ' ' TYR . 5.4 mtp-105 -70.34 -44.4 68.25 Favored 'General case' 0 CA--C 1.507 -0.675 0 O-C-N 120.629 -1.294 . . . . 4.54 111.037 -160.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.32 67.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.745 -0.465 . . . . 1.46 109.745 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -41.08 73.79 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 120.95 -1.094 . . . . 2.52 108.231 174.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 HG13 ' CE3' ' A' ' 8' ' ' TRP . 1.2 t -57.5 -56.2 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 108.786 -0.82 . . . . 2.8999999999999999 108.786 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -48.85 80.04 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.803 -1.184 . . . . 3.2599999999999998 107.803 -167.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.7 t -51.32 -49.23 61.76 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.464 0.478 . . . . 1.5900000000000001 110.248 176.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.74 -52.92 63.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.155 0.582 . . . . 1.6299999999999999 112.144 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -44.35 97.15 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.502 0.667 . . . . 2.1499999999999999 110.191 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.06 -49.41 77.45 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.049 -0.723 . . . . 2.27 109.049 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.62 -43.75 97.14 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 123.244 0.34 . . . . 7.4400000000000004 111.187 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.52 -40.44 65.45 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.786 0.834 . . . . 1.5900000000000001 110.716 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.91 55.68 0.11 Allowed Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.718 -0.953 . . . . 0.48999999999999999 110.718 167.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -131.12 168.65 17.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.325 0.65 . . . . 3.1600000000000001 110.285 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.2 p -117.64 135.79 53.75 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 105.926 -1.879 . . . . 2.7799999999999998 105.926 168.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 pp -141.15 165.42 27.57 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.441 -1.689 . . . . 2.3799999999999999 106.441 176.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -135.63 126.78 28.07 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 104.413 -2.439 . . . . 5.9400000000000004 104.413 165.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.79 107.7 0.08 Allowed 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.225 1.41 . . . . 3.1800000000000002 111.964 177.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.9 171.78 8.56 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 107.203 -1.406 . . . . 2.2999999999999998 107.203 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -65.24 157.41 28.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.217 1.008 . . . . 4.6600000000000001 110.536 -167.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.04 54.21 2.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.387 -0.824 . . . . 2.73 110.306 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.05 161.22 2.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.843 1.257 . . . . 4.5199999999999996 110.147 -177.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.014 1 C-N-CA 133.059 4.543 . . . . 10.49 102.956 171.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 108.672 -0.862 . . . . 5.2999999999999998 108.672 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.35 -164.79 6.31 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.505 -1.038 . . . . 2.48 110.505 174.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.9 m -137.94 140.66 40.38 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 120.876 -1.367 . . . . 2.27 111.766 173.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -96.08 127.02 41.71 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 112.866 -1.97 . . . . 3.8900000000000001 107.377 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.541 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 7.5 m-85 -105.41 123.55 48.06 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 127.422 2.289 . . . . 3.7999999999999998 111.963 170.126 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 m -100.53 150.36 22.76 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 118.62 0.645 . . . . 2.6200000000000001 109.57 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.541 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -136.56 161.34 36.16 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.497 1.519 . . . . 1.1799999999999999 109.051 165.476 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -111.4 110.03 20.29 Favored 'General case' 0 C--N 1.338 0.078 0 N-CA-C 106.132 -1.803 . . . . 2.9399999999999999 106.132 174.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.5 t -98.8 174.41 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.417 -0.957 . . . . 1.7 108.417 -177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.8 111.04 4.88 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.251 -0.905 . . . . 1.6000000000000001 108.894 169.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.94 -24.17 4.31 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.901 0.762 . . . . 1.1299999999999999 112.599 172.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.2 tmm? -69.12 85.79 0.37 Allowed 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.82 -0.812 . . . . 2.9700000000000002 109.718 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -147.52 65.35 1.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.05 0.453 . . . . 3.27 111.713 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 m -141.59 -91.71 0.14 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.015 0.526 . . . . 2.3100000000000001 111.845 172.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.33 -66.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.865 0.866 . . . . 2.2000000000000002 109.026 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.51 62.56 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.841 0.456 . . . . 2.25 110.893 176.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -69.17 -40.2 78.27 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.902 -0.777 . . . . 3.1899999999999999 108.902 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.03 -41.49 96.66 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 118.073 0.397 . . . . 1.6399999999999999 110.17 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -61.41 -53.38 57.37 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 118.443 -1.303 . . . . 3.6000000000000001 110.817 172.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -48.86 -39.48 25.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 121.07 -1.018 . . . . 4.7000000000000002 111.777 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.61 -63.11 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 118.597 0.635 . . . . 1.53 112.51 170.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.02 -41.15 87.04 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 107.376 -1.342 . . . . 1.77 107.376 -170.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -66.07 -32.91 74.66 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.403 1.081 . . . . 0.60999999999999999 110.944 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.61 -21.4 26.65 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 118.42 -0.8 . . . . 1.72 111.865 168.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.9 m -103.82 -42.26 7.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.259 0 CA-C-N 118.983 0.81 . . . . 3.1899999999999999 113.021 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -60.83 -24.98 66.29 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.261 -0.899 . . . . 3.3100000000000001 110.94 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -69.34 -14.21 62.8 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 118.663 -0.684 . . . . 0.66000000000000003 112.687 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -112.49 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.094 0.958 . . . . 1.98 109.481 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.09 -47.76 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 125.007 1.323 . . . . 1.77 108.647 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.84 -20.37 65.72 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.739 -0.664 . . . . 0.48999999999999999 113.399 -172.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.86 134.15 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 123.532 0.733 . . . . 1.7 109.259 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -103.16 -57.71 2.0 Allowed 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 107.492 -1.299 . . . . 2.1600000000000001 107.492 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -132.61 161.59 33.48 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 106.732 -1.581 . . . . 2.5099999999999998 106.732 -172.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -156.85 141.6 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 107.625 -1.25 . . . . 2.4900000000000002 107.625 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -135.78 104.03 5.61 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 107.759 -1.2 . . . . 2.48 107.759 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.37 123.2 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 127.193 2.197 . . . . 2.73 105.611 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.9 tp -118.73 116.91 27.54 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.025 -0.732 . . . . 1.96 109.025 -175.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -64.81 165.27 10.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.029 0.932 . . . . 4.2400000000000002 112.09 171.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.23 -49.22 0.64 Allowed 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 126.548 1.939 . . . . 2.4199999999999999 111.755 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -84.89 9.15 15.13 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.3 1.44 . . . . 2.0 112.047 177.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 32.72 42.28 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.382 2.273 . . . . 4.5199999999999996 114.159 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.66 132.7 50.59 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.384 -0.598 . . . . 2.4199999999999999 109.384 -169.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.83 122.78 45.85 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 106.132 -1.803 . . . . 2.8100000000000001 106.132 168.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.4 t -125.95 119.69 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 124.153 0.908 . . . . 1.71 109.228 163.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.9 t -116.61 131.31 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 124.556 1.142 . . . . 1.78 109.413 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.14 99.59 7.34 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 125.456 1.503 . . . . 3.1400000000000001 107.832 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.34 175.92 6.43 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.039 0.936 . . . . 1.6799999999999999 110.401 -175.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.97 53.38 1.71 Allowed 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.272 1.029 . . . . 1.76 109.713 -175.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -177.29 -41.92 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.501 -0.749 . . . . 2.9199999999999999 112.926 -169.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.254 9.3 t0 81.59 121.46 0.05 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 127.856 2.462 . . . . 3.3599999999999999 110.795 -172.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pp -149.27 31.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 C-N-CA 125.58 1.552 . . . . 1.8999999999999999 107.247 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.0 mtm-85 -61.96 -47.75 83.44 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 121.36 -0.837 . . . . 3.6000000000000001 111.288 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.99 59.49 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.543 0.527 . . . . 1.6000000000000001 110.868 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -76.27 -44.14 38.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.083 -0.71 . . . . 2.6299999999999999 109.083 -175.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.479 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 52.4 t -65.15 -48.19 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 107.993 -1.114 . . . . 1.55 107.993 178.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -47.1 -60.22 2.61 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.102 -0.952 . . . . 2.2999999999999998 111.02 171.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 t -47.94 -45.76 31.42 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.276 0.944 . . . . 1.46 110.355 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 -54.49 44.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.279 0.474 . . . . 1.6699999999999999 112.279 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 mt -60.03 -45.2 93.59 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.786 0.835 . . . . 1.99 111.154 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.24 -51.41 68.22 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.848 -0.797 . . . . 2.3199999999999998 108.848 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -66.82 -37.38 84.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.996 -0.282 . . . . 4.8399999999999999 111.512 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.03 79.6 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 124.06 0.944 . . . . 1.6499999999999999 110.37 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.4 43.39 0.29 Allowed Glycine 0 C--N 1.336 0.534 0 C-N-CA 124.08 0.848 . . . . 0.54000000000000004 111.547 167.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -130.93 125.67 34.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.732 -0.84 . . . . 3.1899999999999999 108.732 175.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -80.56 119.47 23.26 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 106.349 -1.722 . . . . 2.0899999999999999 106.349 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 pp -119.38 -179.16 3.78 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.447 0.699 . . . . 1.8600000000000001 109.456 170.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -134.79 140.45 45.9 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 104.129 -2.545 . . . . 6.5899999999999999 104.129 165.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.96 128.68 38.1 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.204 -1.776 . . . . 3.4199999999999999 106.204 168.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.56 176.5 5.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 124.435 1.084 . . . . 2.71 109.787 168.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 172.4 4.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.523 0.678 . . . . 4.5 109.969 170.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.68 -68.68 0.34 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.633 -0.877 . . . . 2.1699999999999999 108.633 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.55 -60.28 0.1 Allowed 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 107.507 -1.294 . . . . 2.5600000000000001 107.507 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 C--O 1.261 1.68 0 N-CA-C 104.06 -2.57 . . . . 7.3200000000000003 104.06 149.665 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.564 0.221 . . . . 7.3499999999999996 111.352 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.49 -120.35 1.22 Allowed Glycine 0 CA--C 1.524 0.632 0 C-N-CA 125.356 1.455 . . . . 2.5899999999999999 110.715 -176.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.3 m -141.72 139.64 32.94 Favored 'General case' 0 CA--C 1.516 -0.335 0 O-C-N 121.127 -1.219 . . . . 1.8100000000000001 110.613 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -96.34 119.23 34.45 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 124.744 1.277 . . . . 3.77 108.967 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.611 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 22.0 m-85 -107.31 132.02 53.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 117.614 -1.184 . . . . 3.4700000000000002 113.298 170.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.0 t -109.18 151.37 26.56 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 124.556 1.142 . . . . 2.7799999999999998 110.697 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.611 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 1.3 m-90 -143.93 169.57 17.55 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.292 1.437 . . . . 1.1599999999999999 112.093 169.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -117.61 96.94 5.61 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.999 1.719 . . . . 2.6699999999999999 108.26 -173.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.08 114.96 38.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 123.314 0.646 . . . . 1.8799999999999999 109.698 -166.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -114.37 77.53 1.07 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.304 -0.628 . . . . 1.8100000000000001 109.304 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.3 -35.74 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.377 -0.689 . . . . 1.0 111.377 -176.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -67.04 95.1 0.37 Allowed 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 122.144 -0.621 . . . . 3.23 110.411 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.48 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 31.8 t0 -140.93 85.35 1.98 Allowed 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 123.448 0.467 . . . . 3.75 110.037 170.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.64 140.78 0.06 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.16 1.384 . . . . 2.4700000000000002 108.918 167.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 61.61 0.66 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.855 1.262 . . . . 2.73 110.946 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.57 -51.33 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 127.263 2.225 . . . . 2.1600000000000001 107.495 -172.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 m -68.6 -30.37 69.09 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.692 -0.855 . . . . 3.1800000000000002 108.692 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.09 -56.46 7.74 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.817 0.447 . . . . 2.0299999999999998 110.927 166.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 mtt-85 -56.26 -42.86 78.08 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 121.706 -0.622 . . . . 5.2199999999999998 110.734 -179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.53 -37.3 3.44 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.139 0.427 . . . . 3.7999999999999998 111.458 178.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.8 t -66.51 -57.87 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 118.589 0.631 . . . . 1.96 112.158 175.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -56.63 -40.53 75.55 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 106.888 -1.523 . . . . 2.0099999999999998 106.888 -174.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -69.44 -36.63 76.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.388 -0.82 . . . . 0.53000000000000003 110.658 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.31 -21.46 35.13 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.398 1.079 . . . . 1.7 112.238 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.7 m -107.14 -36.54 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 119.07 0.85 . . . . 3.27 113.05 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -57.25 -27.46 62.09 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.046 0.938 . . . . 3.1200000000000001 109.972 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -72.56 -14.74 61.7 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.615 0.969 . . . . 0.68999999999999995 113.615 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -111.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.928 0.891 . . . . 1.76 110.251 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.15 -52.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.752 1.221 . . . . 1.55 108.207 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.69 -24.13 70.82 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-N 115.339 -0.846 . . . . 0.62 112.591 -173.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -55.41 121.78 3.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 124.537 1.135 . . . . 1.79 110.051 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -98.05 -52.78 3.58 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.694 -0.854 . . . . 2.0800000000000001 108.694 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -152.31 117.52 5.23 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.549 -0.908 . . . . 2.8799999999999999 108.549 -167.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -112.65 135.93 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.327 1.451 . . . . 2.5099999999999998 108.257 -177.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -118.7 109.01 15.6 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.713 -1.218 . . . . 2.8599999999999999 107.713 170.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 m -94.57 103.97 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 106.696 -1.594 . . . . 2.75 106.696 171.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.6 tp -98.12 80.9 2.74 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 105.419 -2.067 . . . . 1.71 105.419 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.6 t80 -62.99 82.78 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 113.949 -1.478 . . . . 4.8899999999999997 108.276 172.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.0 -42.37 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 127.37 2.268 . . . . 2.6800000000000002 109.448 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -106.87 31.79 5.05 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.919 0.888 . . . . 2.0899999999999999 110.154 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 37.71 28.68 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.068 2.547 . . . . 5.3700000000000001 114.195 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.5 129.39 55.56 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.165 -1.42 . . . . 2.4199999999999999 107.165 -164.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.3 125.16 50.66 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 116.574 -1.679 . . . . 2.4399999999999999 106.865 165.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.6 t -127.13 136.48 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 O-C-N 124.299 0.999 . . . . 1.8700000000000001 111.267 165.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.2 t -133.61 113.67 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 106.6 -1.63 . . . . 1.6899999999999999 106.6 -176.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.69 112.67 24.46 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.821 -1.548 . . . . 2.5800000000000001 106.821 174.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.07 143.26 44.54 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.692 1.197 . . . . 1.55 111.54 -168.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -83.92 58.96 4.97 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.322 1.049 . . . . 2.5099999999999998 109.71 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.02 158.49 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.063 2.145 . . . . 1.76 108.639 173.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.18 122.1 23.84 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.333 -0.547 . . . . 3.21 109.754 169.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.42 31.77 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.622 -0.881 . . . . 1.77 108.622 177.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.418 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 38.9 mtm-85 -64.74 -49.11 72.08 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 121.479 -0.763 . . . . 3.8700000000000001 110.256 -171.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.07 -30.59 62.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 123.698 0.623 . . . . 1.6299999999999999 110.41 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -50.76 26.66 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.63 -0.508 . . . . 3.2000000000000002 109.63 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.511 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 65.4 t -61.8 -49.09 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 107.797 -1.186 . . . . 1.72 107.797 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -50.16 -57.26 8.12 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 117.618 -1.182 . . . . 2.7400000000000002 110.935 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -52.75 -44.24 66.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.531 1.514 . . . . 1.5600000000000001 110.706 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.12 -50.08 74.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.642 0.377 . . . . 1.4199999999999999 111.395 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.0 mt -65.37 -41.61 93.6 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.687 0.795 . . . . 2.1400000000000001 110.844 -178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -51.04 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.621 0.768 . . . . 2.4300000000000002 109.191 174.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -60.79 -47.32 86.87 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.494 0.183 . . . . 7.3200000000000003 111.494 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.2 67.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.819 0.847 . . . . 1.51 111.058 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.46 50.81 0.17 Allowed Glycine 0 CA--C 1.523 0.576 0 C-N-CA 124.468 1.033 . . . . 0.71999999999999997 111.274 169.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -131.11 148.17 52.7 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 117.514 0.657 . . . . 3.3300000000000001 110.848 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 p -104.21 132.09 50.82 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.239 1.415 . . . . 2.5899999999999999 107.742 173.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.96 165.34 36.75 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.25 2.22 . . . . 2.7599999999999998 107.255 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -142.07 72.03 1.37 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 118.138 -0.934 . . . . 4.7300000000000004 109.663 -169.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t0 9.91 74.21 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.253 2.221 . . . . 3.1899999999999999 114.399 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -77.25 156.72 31.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.97 0.891 . . . . 3.0499999999999998 109.178 -170.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -57.16 152.44 13.59 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.379 -0.828 . . . . 7.1699999999999999 111.042 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.24 -59.92 4.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.117 0.967 . . . . 2.23 111.323 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.33 70.06 0.02 OUTLIER 'General case' 0 C--O 1.231 0.101 0 N-CA-C 106.044 -1.835 . . . . 2.7599999999999998 106.044 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.258 1.539 0 CA-C-O 116.632 -1.651 . . . . 5.7300000000000004 108.227 -154.254 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 109.981 -0.377 . . . . 5.25 109.981 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 126.63 176.14 14.38 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 124.28 0.943 . . . . 2.5099999999999998 112.352 168.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 m -143.31 137.64 28.95 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 122.203 -0.587 . . . . 2.0099999999999998 110.936 177.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -99.24 118.28 35.59 Favored 'General case' 0 N--CA 1.439 -1.008 0 O-C-N 124.783 1.302 . . . . 3.8999999999999999 108.969 177.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.546 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 16.5 m-85 -97.75 148.7 23.1 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 124.47 1.108 . . . . 3.4100000000000001 112.728 166.801 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.411 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 20.0 m -125.64 150.46 47.56 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.098 0.959 . . . . 2.9100000000000001 110.232 174.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.546 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.1 OUTLIER -136.91 169.89 17.01 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.468 1.507 . . . . 1.1000000000000001 108.128 170.727 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.28 126.83 53.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 104.35 -2.463 . . . . 3.1299999999999999 104.35 170.145 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.1 t -120.75 147.74 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 120.271 1.396 . . . . 1.9399999999999999 107.366 -176.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.74 102.56 5.72 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.745 -1.576 . . . . 1.73 106.745 175.907 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.32 -25.64 0.88 Allowed Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.656 -0.525 . . . . 1.0 113.187 173.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.85 69.85 0.71 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.341 1.07 . . . . 2.8700000000000001 112.731 179.366 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -108.82 58.47 0.61 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.765 0.426 . . . . 4.6600000000000001 111.591 -176.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -170.57 149.38 3.22 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.937 -0.477 . . . . 2.5899999999999999 111.463 168.804 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 60.62 1.29 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.389 1.076 . . . . 2.6899999999999999 111.548 178.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.36 -54.77 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 126.725 2.01 . . . . 2.6299999999999999 107.056 -175.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.4 m -63.54 -34.5 77.93 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.335 -0.987 . . . . 3.1800000000000002 108.335 170.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.34 -41.35 19.22 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.537 0.735 . . . . 2.0800000000000001 111.922 167.711 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.62 -47.0 34.61 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 118.902 0.774 . . . . 3.6099999999999999 109.13 175.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -49.38 -35.77 19.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.103 0.865 . . . . 4.2999999999999998 112.325 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.9 t -54.07 -61.01 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 123.887 0.875 . . . . 1.79 110.744 170.023 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.76 -37.94 87.73 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 119.603 -0.839 . . . . 2.1800000000000002 108.892 -175.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -65.74 -34.48 78.27 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 120.709 -1.244 . . . . 0.64000000000000001 110.175 -177.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.5 -20.92 49.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.059 0.544 . . . . 1.6799999999999999 112.462 170.104 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.3 t -100.72 -44.89 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 125.832 1.653 . . . . 2.7400000000000002 109.668 -177.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -61.94 -32.96 73.43 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 120.693 -1.254 . . . . 3.5800000000000001 109.92 -175.126 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.05 -13.59 17.74 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.733 1.383 . . . . 0.81000000000000005 114.733 175.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.81 -115.66 0.0 OUTLIER 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.659 1.118 . . . . 2.1299999999999999 110.404 177.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.53 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.157 0.503 . . . . 1.6499999999999999 109.831 -176.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -19.67 79.76 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 115.61 -0.723 . . . . 0.41999999999999998 112.309 -176.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.92 142.67 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.694 1.198 . . . . 1.6599999999999999 109.557 172.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -127.58 -43.54 1.57 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 119.069 -0.491 . . . . 2.8900000000000001 111.063 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -134.12 150.13 51.12 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.432 -0.951 . . . . 2.5 108.432 -177.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.4 t -142.72 143.0 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 124.051 0.94 . . . . 3.6800000000000002 108.507 -175.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -134.69 89.9 2.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.787 1.635 . . . . 2.3300000000000001 108.961 -175.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.1 t -91.69 100.45 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 125.903 1.681 . . . . 3.4900000000000002 108.948 173.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -98.26 71.41 2.08 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 106.243 -1.762 . . . . 1.6200000000000001 106.243 172.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -52.77 117.62 3.06 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 106.257 -1.757 . . . . 4.96 106.257 160.64 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 127.04 -33.27 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 128.974 2.91 . . . . 2.6400000000000001 110.106 -171.272 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m -117.49 5.06 12.44 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.445 0.698 . . . . 2.1099999999999999 110.372 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 49.49 37.82 13.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.66 1.584 . . . . 3.6800000000000002 113.515 169.597 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.01 125.93 36.52 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 105.284 -2.117 . . . . 2.6800000000000002 105.284 -178.756 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.79 140.55 32.82 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 105.714 -1.958 . . . . 2.3599999999999999 105.714 178.027 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.8 t -125.4 144.54 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 118.492 0.587 . . . . 1.6899999999999999 110.686 163.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.6 t -139.97 117.89 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 107.313 -1.366 . . . . 1.6499999999999999 107.313 -178.282 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -98.56 109.54 22.28 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.41 -1.7 . . . . 2.0800000000000001 106.41 174.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.23 125.49 13.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.276 1.03 . . . . 1.77 109.347 -169.548 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -88.22 58.07 4.58 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.705 -0.479 . . . . 2.3799999999999999 109.705 -168.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 175.23 175.71 0.21 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 127.071 2.148 . . . . 1.6299999999999999 108.44 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -88.08 107.67 18.87 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.894 1.678 . . . . 4.8899999999999997 110.336 175.763 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.85 19.25 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 O-C-N 121.491 -0.756 . . . . 1.98 112.655 175.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -63.22 -48.58 77.7 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.678 -1.264 . . . . 4.7999999999999998 110.65 -170.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.95 -32.98 64.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 123.972 0.795 . . . . 1.3700000000000001 110.76 172.495 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -75.59 -45.85 35.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.184 -0.673 . . . . 2.79 109.184 -175.024 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.489 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 42.4 t -65.82 -46.54 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 N-CA-C 109.142 -0.688 . . . . 1.73 109.142 178.416 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -48.97 -60.59 2.64 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 117.643 -1.17 . . . . 2.4500000000000002 110.66 170.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -46.73 -47.84 20.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.768 1.167 . . . . 1.4399999999999999 110.72 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.12 81.97 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.604 0.762 . . . . 1.7 112.498 178.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 22.2 mt -69.49 -44.84 70.28 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.8 0.84 . . . . 1.99 110.048 -177.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -55.55 26.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.94 -0.763 . . . . 2.27 108.94 175.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -19.7 62.22 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.987 -0.445 . . . . 6.1600000000000001 112.039 -178.376 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.73 -19.7 65.81 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.228 -0.92 . . . . 1.6499999999999999 111.768 167.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.03 51.29 1.01 Allowed Glycine 0 C--N 1.338 0.64 0 N-CA-C 110.735 -0.946 . . . . 0.79000000000000004 110.735 175.152 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -132.7 176.68 8.25 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.829 0.852 . . . . 3.2999999999999998 108.884 171.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.7 m -126.32 137.81 53.52 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.174 -1.417 . . . . 2.5699999999999998 107.174 166.362 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.9 pp -144.34 176.17 9.56 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.505 1.122 . . . . 1.71 108.492 173.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.73 151.82 51.89 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.129 -1.804 . . . . 5.7199999999999998 106.129 162.426 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -81.64 90.77 6.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.147 0.979 . . . . 2.5299999999999998 111.134 -168.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.61 157.82 33.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 120.917 -1.115 . . . . 2.6000000000000001 113.565 -173.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -53.9 165.44 0.46 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 125.128 1.371 . . . . 7.2699999999999996 112.581 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.12 58.47 5.06 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.298 1.039 . . . . 2.3799999999999999 108.208 -167.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 75.66 -45.37 0.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.762 1.625 . . . . 3.5699999999999998 110.883 -164.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.016 0 N-CA-C 103.647 -2.723 . . . . 5.8600000000000003 103.647 166.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 110.685 -0.117 . . . . 6.3600000000000003 110.685 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.83 121.05 2.15 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 109.836 -1.306 . . . . 3.1699999999999999 109.836 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -121.37 159.67 25.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.503 0.721 . . . . 2.29 109.081 173.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 ttm105 -114.19 135.54 53.93 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.8 1.24 . . . . 4.4299999999999997 108.24 170.567 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.545 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.0 m-85 -118.27 142.9 47.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.33 1.452 . . . . 3.4100000000000001 111.668 171.634 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.416 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 6.7 m -122.14 146.4 47.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.12 1.368 . . . . 2.8100000000000001 110.064 -177.27 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.545 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 1.1 m-90 -137.47 158.67 43.9 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.96 0.904 . . . . 1.1399999999999999 110.49 172.269 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 121.34 43.72 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 104.914 -2.254 . . . . 3.2200000000000002 104.914 167.638 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -107.22 163.47 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 N-CA-C 107.525 -1.287 . . . . 1.6200000000000001 107.525 175.789 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.18 101.16 3.58 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.665 -1.235 . . . . 1.6299999999999999 107.665 173.543 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.96 -40.45 0.8 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.617 -0.593 . . . . 0.83999999999999997 111.617 177.166 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 15.1 ptt? -72.1 104.82 3.72 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 119.145 -0.455 . . . . 2.6299999999999999 109.892 -177.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -155.51 66.09 0.62 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.654 0.661 . . . . 2.8300000000000001 110.892 168.482 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 m -145.0 -94.81 0.1 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.076 0.551 . . . . 2.2799999999999998 110.657 175.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.89 -59.01 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.445 1.098 . . . . 2.1400000000000001 109.079 -175.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.13 -40.54 61.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.371 0.605 . . . . 1.9099999999999999 110.872 173.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.5 m -70.1 -34.01 72.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.863 -0.792 . . . . 2.7999999999999998 108.863 -178.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.02 88.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.075 -0.713 . . . . 1.95 109.075 176.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.0 mtt180 -63.0 -52.6 62.34 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.36 -0.936 . . . . 4.3099999999999996 109.73 176.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -47.49 -40.46 18.53 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.328 -0.858 . . . . 5.7000000000000002 112.59 179.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.3 t -62.18 -60.39 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 124.683 1.193 . . . . 1.9399999999999999 110.918 174.058 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -58.85 -44.49 91.03 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.818 -1.179 . . . . 2.02 107.818 -173.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -60.18 -40.4 89.84 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.421 1.089 . . . . 1.02 109.268 -177.598 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -22.35 30.47 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.044 0.757 . . . . 1.54 113.044 172.223 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -92.52 -45.93 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.484 1.114 . . . . 2.8399999999999999 110.174 171.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -61.68 -29.39 70.05 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 120.265 -1.522 . . . . 4.5800000000000001 110.679 -172.235 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -60.87 -13.36 15.13 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.756 1.021 . . . . 1.26 113.756 176.669 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.81 -123.07 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.482 1.037 . . . . 2.04 109.284 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.66 -49.03 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 123.738 0.815 . . . . 1.45 109.253 -177.05 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.49 -13.17 83.81 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 115.905 -0.589 . . . . 0.5 112.718 -177.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.0 t -53.54 137.56 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.513 0.725 . . . . 1.8600000000000001 110.084 167.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.55 -48.99 3.65 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.24 -1.022 . . . . 2.1400000000000001 108.24 173.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -160.72 154.41 22.36 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.903 -1.517 . . . . 2.5699999999999998 106.903 -168.379 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.06 145.13 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 124.426 1.09 . . . . 3.29 108.95 -169.322 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.43 99.08 5.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.7 0.8 . . . . 3.7200000000000002 110.6 173.297 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 t -93.43 116.98 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 126.46 1.904 . . . . 3.23 106.819 167.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.7 tp -128.44 115.69 18.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.768 -1.568 . . . . 1.8400000000000001 106.768 174.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -66.67 169.57 7.62 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.446 0.698 . . . . 3.4500000000000002 111.371 174.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 78.32 -46.5 0.43 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 127.477 2.311 . . . . 2.25 109.637 174.394 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m -74.48 -16.22 60.86 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.783 -0.451 . . . . 2.0899999999999999 109.783 166.141 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.84 42.95 16.79 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.921 1.289 . . . . 3.8900000000000001 110.839 -178.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 130.74 53.05 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 106.843 -1.54 . . . . 2.5600000000000001 106.843 -171.046 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.24 138.92 37.62 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.132 -1.062 . . . . 2.3399999999999999 108.132 178.366 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.1 t -126.37 147.13 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 O-C-N 124.264 0.977 . . . . 1.8400000000000001 110.492 160.258 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.5 t -136.9 120.31 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 C-N-CA 125.159 1.384 . . . . 1.73 107.592 176.298 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.74 116.66 33.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.755 1.222 . . . . 2.3599999999999999 107.843 176.21 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -146.66 151.15 36.78 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.304 1.442 . . . . 1.5900000000000001 109.931 -167.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.94 52.46 0.82 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.128 0.966 . . . . 2.25 111.272 -174.492 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 167.87 165.34 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 104.942 -2.244 . . . . 2.9300000000000002 104.942 -169.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -93.41 130.12 39.32 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 120.44 1.473 . . . . 3.2999999999999998 109.708 170.262 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 pp -143.25 32.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 124.04 0.838 . . . . 1.77 109.581 173.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 mtm-85 -66.07 -48.26 71.56 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.975 -1.078 . . . . 3.7799999999999998 110.366 -172.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.48 -35.14 52.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.841 0.713 . . . . 1.3300000000000001 110.409 171.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -42.45 43.54 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.564 -0.532 . . . . 2.6299999999999999 109.564 -174.699 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.533 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 54.7 t -63.98 -51.64 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 N-CA-C 107.863 -1.162 . . . . 1.79 107.863 176.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -44.72 -60.13 2.17 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 118.042 -0.98 . . . . 2.4100000000000001 110.613 174.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.8 t -46.34 -47.89 18.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.853 0.751 . . . . 1.2 110.451 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.82 53.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 112.589 0.589 . . . . 1.45 112.589 178.024 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.24 -47.17 82.05 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 119.607 1.094 . . . . 2.5800000000000001 111.837 177.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -49.92 71.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.128 -0.942 . . . . 2.23 108.943 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -63.86 -42.6 97.51 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.537 -0.301 . . . . 4.5700000000000003 111.145 177.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.47 -36.74 74.19 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.23 1.012 . . . . 1.55 111.121 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.66 54.56 0.16 Allowed Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.279 0.942 . . . . 0.69999999999999996 110.994 170.391 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -138.19 146.02 42.18 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.508 0.723 . . . . 3.4700000000000002 109.633 177.535 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 p -94.99 124.71 39.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.297 -1.372 . . . . 3.1200000000000001 107.297 168.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 pp -138.23 174.78 10.19 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 108.766 -0.827 . . . . 1.8999999999999999 108.766 168.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.95 105.07 4.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 104.682 -2.34 . . . . 5.0800000000000001 104.682 -177.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -28.62 98.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.205 1.802 . . . . 3.4399999999999999 112.679 179.093 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.28 155.4 21.38 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.623 0.725 . . . . 2.4100000000000001 109.161 -174.506 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.47 120.88 0.96 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.334 1.454 . . . . 4.8600000000000003 110.429 168.65 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.38 -66.76 0.36 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.496 1.118 . . . . 2.21 111.592 -179.245 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.24 175.38 13.48 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.908 2.483 . . . . 2.9700000000000002 105.759 175.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 . . . . . 0 C--O 1.25 1.081 0 N-CA-C 107.253 -1.388 . . . . 5.5899999999999999 107.253 171.634 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 m . . . . . 0 C--O 1.233 0.193 0 N-CA-C 107.105 -1.443 . . . . 4.9000000000000004 107.105 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.9 179.23 51.54 Favored Glycine 0 CA--C 1.523 0.567 0 O-C-N 124.027 0.829 . . . . 2.2000000000000002 111.689 173.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.48 140.53 52.08 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.026 -0.731 . . . . 1.9199999999999999 109.026 174.565 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -97.29 127.88 43.64 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.201 -1.363 . . . . 4.54 109.38 -176.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.604 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 18.4 m-85 -117.18 125.48 51.26 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.712 1.205 . . . . 3.3399999999999999 113.423 176.235 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -97.27 143.01 28.46 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.915 1.686 . . . . 2.73 111.048 176.026 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.604 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -141.15 169.05 18.35 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.635 0.774 . . . . 1.1899999999999999 111.239 159.462 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.66 105.67 13.89 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.423 2.289 . . . . 2.9900000000000002 105.771 -177.088 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.4 t -100.84 129.13 52.21 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 120.243 1.383 . . . . 1.78 108.843 -170.335 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.16 96.24 5.24 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.808 -1.182 . . . . 1.73 107.808 -177.366 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.88 -35.74 0.62 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.841 -0.904 . . . . 0.81999999999999995 110.841 175.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -71.6 128.15 34.89 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 118.941 -0.552 . . . . 2.6800000000000002 110.583 177.842 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -175.59 83.61 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.373 1.869 . . . . 3.0299999999999998 108.699 162.014 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.64 -88.27 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.693 -0.629 . . . . 2.4199999999999999 110.764 172.584 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.36 -57.72 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.179 0.992 . . . . 2.48 109.262 -177.409 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.46 -33.72 45.71 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.247 0.619 . . . . 2.3300000000000001 110.943 173.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.8 m -72.92 -40.13 65.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.587 -0.894 . . . . 2.79 108.587 -177.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.9 -44.11 97.58 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.608 -0.516 . . . . 1.73 109.608 176.148 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.1 mtt85 -59.37 -52.01 67.47 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 118.572 -1.251 . . . . 3.9399999999999999 110.811 172.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -45.83 -47.2 15.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.334 0.97 . . . . 3.6499999999999999 111.678 176.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.96 -61.77 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 118.372 0.533 . . . . 2.1499999999999999 111.594 175.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.8 -41.75 96.27 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 106.445 -1.687 . . . . 2.0699999999999998 106.445 -167.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -66.03 -36.83 84.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.507 1.123 . . . . 0.82999999999999996 110.292 -179.131 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.1 47.06 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.109 -0.948 . . . . 1.8 112.492 170.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.2 m -102.45 -38.14 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 119.694 1.133 . . . . 3.4300000000000002 112.449 174.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -59.29 -27.92 66.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.368 1.067 . . . . 3.73 110.086 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.89 -13.82 62.16 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.358 0.873 . . . . 0.62 113.358 178.104 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -119.76 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.708 0.685 . . . . 1.6399999999999999 109.748 178.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.57 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.769 0.828 . . . . 1.6699999999999999 108.993 -175.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.68 -26.37 65.31 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 112.009 -0.436 . . . . 0.81000000000000005 112.009 -176.495 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.4 t -56.49 138.29 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 124.664 1.186 . . . . 1.6699999999999999 109.84 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -140.64 -46.48 0.41 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 119.048 -0.501 . . . . 2.71 111.843 177.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -125.02 80.46 1.88 Allowed 'General case' 0 C--O 1.227 -0.108 0 CA-C-O 122.316 1.055 . . . . 2.46 109.278 -174.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.53 140.35 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.67 -0.695 . . . . 2.4700000000000002 109.837 173.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -129.8 105.56 8.1 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.098 -1.075 . . . . 2.6200000000000001 108.098 166.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.7 t -93.47 118.46 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 105.832 -1.914 . . . . 3.2000000000000002 105.832 174.498 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.4 tp -127.33 111.3 13.74 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.264 -0.643 . . . . 1.8500000000000001 109.264 -178.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -62.63 165.25 6.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.112 -0.949 . . . . 3.3799999999999999 111.562 172.322 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.02 -45.51 0.53 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 127.917 2.487 . . . . 1.9199999999999999 110.717 172.59 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.8 p -73.93 -17.49 61.01 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.88 -0.513 . . . . 3.48 110.654 162.257 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 52.32 44.01 30.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.298 1.039 . . . . 4.1500000000000004 111.172 -178.705 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.86 129.41 51.35 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.134 -1.061 . . . . 2.48 108.134 -175.694 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.26 120.99 38.64 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 104.928 -2.249 . . . . 2.6600000000000001 104.928 164.108 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 t -123.38 128.31 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 O-C-N 123.995 0.809 . . . . 1.8200000000000001 110.874 157.166 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.7 t -120.25 118.94 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 124.76 1.224 . . . . 1.79 108.035 173.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -97.66 119.8 36.89 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.263 -1.014 . . . . 3.4300000000000002 108.263 168.058 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.46 140.58 37.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.481 1.112 . . . . 1.6100000000000001 110.043 -170.608 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.51 58.8 4.86 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 121.06 0.457 . . . . 2.0699999999999998 109.924 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 172.18 177.38 0.08 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 127.355 2.262 . . . . 1.71 108.072 176.177 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -87.23 127.03 35.17 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 108.29 -1.004 . . . . 3.1499999999999999 108.29 162.138 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 pp -138.39 21.97 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.272 1.029 . . . . 2.1299999999999999 110.449 168.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.92 -45.91 90.27 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.813 1.642 . . . . 4.46 111.381 -167.594 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.87 70.99 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 124.046 0.842 . . . . 1.3500000000000001 109.921 175.227 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -72.27 -47.6 48.89 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 121.63 -0.668 . . . . 2.3599999999999999 110.191 -178.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.511 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 53.7 t -65.41 -45.29 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 N-CA-C 107.578 -1.267 . . . . 1.6100000000000001 107.578 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.47 -58.17 5.05 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 118.798 -0.62 . . . . 3.0800000000000001 110.834 174.566 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -53.69 -47.52 70.38 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.03 0.443 . . . . 1.52 110.049 -178.157 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.0 63.2 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.505 0.722 . . . . 1.6399999999999999 112.24 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.94 -52.15 65.15 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.142 1.777 . . . . 3.2799999999999998 109.447 177.802 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.32 -52.92 61.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.502 -0.925 . . . . 2.21 108.502 -178.424 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -58.5 -43.47 89.08 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.511 0.507 . . . . 4.4199999999999999 111.165 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.77 -36.98 62.98 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.48 1.112 . . . . 1.6200000000000001 110.599 -179.432 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.44 50.39 0.07 OUTLIER Glycine 0 C--N 1.335 0.525 0 N-CA-C 110.383 -1.087 . . . . 0.95999999999999996 110.383 166.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -130.91 -173.91 3.22 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 122.434 1.111 . . . . 3.4900000000000002 110.239 179.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.3 m -144.68 141.64 29.48 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 105.056 -2.202 . . . . 2.7000000000000002 105.056 164.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.2 pp -146.85 165.41 29.82 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 126.811 2.045 . . . . 2.0099999999999998 105.629 -177.616 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -133.1 122.9 24.77 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 102.132 -3.284 . . . . 4.79 102.132 177.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -49.48 109.76 0.31 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.285 1.434 . . . . 3.8399999999999999 109.011 -178.528 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.76 -178.82 5.86 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.155 -1.795 . . . . 2.3900000000000001 106.155 -178.795 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -58.68 171.84 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.712 0.768 . . . . 4.8399999999999999 110.741 168.147 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.73 -64.64 0.82 Allowed 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.353 -0.842 . . . . 2.2599999999999998 108.797 170.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.49 164.96 36.55 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 126.026 1.73 . . . . 2.0899999999999999 107.245 176.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 . . . . . 0 C--O 1.253 1.282 0 CA-C-O 117.152 -1.404 . . . . 6.75 108.893 168.134 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 107.5 -1.296 . . . . 5.2999999999999998 107.5 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.15 -147.5 9.24 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 110.552 -1.019 . . . . 2.1600000000000001 110.552 -176.061 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.5 m -139.83 148.38 42.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 121.532 -0.981 . . . . 1.9299999999999999 109.666 172.778 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -107.48 120.93 43.54 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-N 112.701 -2.045 . . . . 4.8300000000000001 107.934 -171.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.526 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 31.6 m-85 -113.68 123.29 49.55 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 125.686 1.594 . . . . 3.1299999999999999 112.512 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.0 t -100.68 149.87 23.33 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.481 1.512 . . . . 2.8599999999999999 111.461 177.328 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.542 ' CZ2' ' CG1' ' A' ' 56' ' ' VAL . 1.4 m-90 -141.19 157.18 45.61 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.683 1.593 . . . . 1.1399999999999999 109.511 167.252 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.54 107.73 18.36 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.818 1.647 . . . . 3.0899999999999999 107.648 175.552 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.59 121.41 51.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 119.164 0.893 . . . . 1.8400000000000001 109.304 -169.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -107.28 99.66 9.18 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 106.599 -1.63 . . . . 1.49 106.599 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.3 -38.93 0.88 Allowed Glycine 0 C--N 1.335 0.52 0 N-CA-C 111.371 -0.692 . . . . 0.72999999999999998 111.371 176.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.3 ptt? -69.88 110.59 5.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 120.272 -0.571 . . . . 2.6099999999999999 110.676 -178.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -159.26 90.19 0.95 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.357 1.063 . . . . 2.8300000000000001 108.456 166.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.36 -89.17 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.639 0.776 . . . . 2.2799999999999998 110.09 169.012 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.35 -59.81 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 125.894 1.678 . . . . 2.27 107.232 -178.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.31 41.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.439 -0.801 . . . . 2.0899999999999999 111.115 172.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 m -71.24 -41.15 70.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.018 -0.734 . . . . 2.4100000000000001 109.018 -177.142 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.1 -45.45 92.9 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.363 -0.606 . . . . 1.8899999999999999 109.363 176.316 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -59.69 -53.71 54.79 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.589 -0.844 . . . . 3.8199999999999998 110.215 175.677 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -47.42 -44.2 24.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 121.311 -0.868 . . . . 4.71 111.217 178.406 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.07 -60.69 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 118.858 0.754 . . . . 1.8899999999999999 111.71 173.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -62.75 -36.01 81.67 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.383 -0.969 . . . . 1.73 108.383 -170.305 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -70.03 -34.16 72.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.639 1.175 . . . . 0.48999999999999999 110.339 178.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.98 -26.21 65.85 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.858 0.863 . . . . 1.6200000000000001 111.813 166.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 78.6 t -89.87 -40.9 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 C-N-CA 124.718 1.207 . . . . 2.8300000000000001 111.236 175.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -67.6 -34.41 76.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 119.698 -1.877 . . . . 3.3100000000000001 109.28 -173.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.71 -13.01 19.23 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.818 1.414 . . . . 0.58999999999999997 114.818 177.678 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.03 -107.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.807 1.185 . . . . 1.8700000000000001 110.133 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.62 -50.55 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.598 1.159 . . . . 1.6200000000000001 109.02 179.223 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.0 -5.0 90.45 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-N 115.467 -0.788 . . . . 0.52000000000000002 113.282 -171.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.37 144.19 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.598 0.759 . . . . 1.6499999999999999 109.162 173.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -116.72 -46.08 2.76 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.722 -0.474 . . . . 2.7200000000000002 109.722 173.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.66 162.42 39.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.072 -1.084 . . . . 2.7999999999999998 108.072 -179.012 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.13 135.82 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.402 -1.333 . . . . 2.52 107.402 -170.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -123.14 104.64 9.31 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 122.562 1.173 . . . . 2.9500000000000002 108.085 174.54 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.11 121.94 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 105.589 -2.004 . . . . 2.6400000000000001 105.589 169.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.3 tp -128.95 113.14 14.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.917 -1.142 . . . . 1.76 107.917 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -65.91 164.13 15.63 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 123.889 0.743 . . . . 3.3900000000000001 111.215 173.382 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.66 -40.95 0.48 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 128.432 2.693 . . . . 2.29 111.178 176.068 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 m -73.89 -23.92 59.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 123.452 0.701 . . . . 2.2000000000000002 109.336 162.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 50.98 41.09 26.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.426 1.091 . . . . 4.1100000000000003 110.027 -175.017 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 126.9 51.47 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 103.693 -2.706 . . . . 2.3399999999999999 103.693 -176.734 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.94 135.55 39.5 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 124.714 1.259 . . . . 2.2799999999999998 107.672 158.792 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.75 142.86 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 O-C-N 124.425 1.078 . . . . 2.04 110.277 154.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.05 131.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 C-N-CA 125.105 1.362 . . . . 1.6100000000000001 107.665 171.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -110.45 108.51 18.55 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 125.998 1.719 . . . . 2.48 106.986 177.532 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.48 138.46 41.44 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.452 -0.944 . . . . 1.6100000000000001 108.452 -171.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.45 57.38 1.4 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 108.479 -0.934 . . . . 2.02 108.479 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.05 -40.56 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.673 0.99 . . . . 2.9100000000000001 113.673 173.752 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t0 96.61 125.1 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 129.712 3.205 . . . . 3.0600000000000001 111.062 -173.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 pp -149.93 30.46 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 125.754 1.622 . . . . 1.8899999999999999 109.664 -179.024 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -58.81 -55.46 34.76 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.359 -1.463 . . . . 4.7300000000000004 112.831 -171.449 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.22 -28.61 42.3 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.475 -0.784 . . . . 1.3100000000000001 109.557 175.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -79.19 -38.86 34.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.836 -0.802 . . . . 3.0499999999999998 108.836 -174.564 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.542 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 66.4 t -68.06 -50.17 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 N-CA-C 108.026 -1.101 . . . . 1.6499999999999999 108.026 177.47 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -47.69 -57.54 5.41 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 118.019 -0.991 . . . . 2.3199999999999998 109.571 174.98 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 t -45.85 -42.87 12.95 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.761 0.709 . . . . 1.6899999999999999 110.684 177.748 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.46 -46.17 84.26 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.964 0.906 . . . . 1.6100000000000001 111.542 -178.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.1 mp -70.65 -38.08 73.79 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.049 0.539 . . . . 2.8700000000000001 110.57 -179.363 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -50.4 73.82 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.928 0.891 . . . . 3.5699999999999998 108.8 176.309 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -64.65 -37.81 88.85 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.947 0.794 . . . . 5.9400000000000004 111.61 175.069 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.51 91.89 Favored 'General case' 0 C--N 1.34 0.157 0 O-C-N 121.977 -0.452 . . . . 1.45 111.174 -178.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.0 57.85 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 124.318 0.961 . . . . 0.65000000000000002 110.943 173.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -129.41 176.18 8.17 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.728 0.811 . . . . 3.5 108.946 170.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.4 p -126.06 133.06 51.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.123 -1.436 . . . . 3.0499999999999998 107.123 166.82 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 pp -143.51 171.08 14.64 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.853 1.661 . . . . 1.9299999999999999 108.681 176.214 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -134.49 116.19 14.82 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 104.724 -2.324 . . . . 4.46 104.724 169.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -46.6 92.52 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 126.276 1.83 . . . . 2.77 113.928 -173.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.46 166.81 16.06 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.456 -1.402 . . . . 2.96 111.968 -170.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.46 156.09 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.908 -1.496 . . . . 5.0199999999999996 111.859 161.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.66 -57.94 10.53 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.089 0.947 . . . . 2.3300000000000001 109.336 174.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.81 -179.14 7.87 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.701 -1.592 . . . . 2.4100000000000001 106.701 175.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.515 0 N-CA-C 104.266 -2.494 . . . . 6.7300000000000004 104.266 161.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 106.981 -1.489 . . . . 5.2599999999999998 106.981 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.82 -163.25 24.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.039 -1.224 . . . . 2.29 110.039 171.522 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 152.74 48.73 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.112 -1.07 . . . . 2.1800000000000002 108.112 174.724 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -110.68 155.99 21.64 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 124.182 0.926 . . . . 6.8799999999999999 110.019 170.236 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.511 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 28.4 m-85 -137.84 122.81 19.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 126.542 1.937 . . . . 3.4900000000000002 106.909 -178.83 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -100.28 149.48 23.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.563 1.145 . . . . 2.46 108.051 175.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.511 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 2.7 m-90 -134.34 175.03 9.88 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.413 0.685 . . . . 1.1299999999999999 109.424 166.615 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.75 113.98 15.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 105.962 -1.866 . . . . 6.9900000000000002 105.962 167.202 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 t -97.32 165.5 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 108.371 -0.974 . . . . 1.77 108.371 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -128.89 117.64 21.35 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.246 -1.02 . . . . 1.9099999999999999 108.246 167.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.73 -21.76 4.42 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.087 0.851 . . . . 0.85999999999999999 112.486 172.212 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.4 ptm -67.43 100.6 0.86 Allowed 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.978 -0.719 . . . . 3.04 111.457 -178.743 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -160.5 68.04 0.35 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.274 0.629 . . . . 2.9900000000000002 110.449 165.629 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.4 t -168.33 150.92 5.36 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.302 -0.874 . . . . 2.4399999999999999 111.779 172.547 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 65.09 1.33 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.365 1.066 . . . . 3.1499999999999999 112.268 -176.313 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.83 -48.91 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 127.05 2.14 . . . . 2.04 107.983 -176.622 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.94 -41.23 97.68 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.027 -1.101 . . . . 3.7999999999999998 108.027 175.753 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.97 -54.48 10.05 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 123.595 0.559 . . . . 2.1299999999999999 110.492 176.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -50.0 70.68 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 120.249 -0.581 . . . . 4.3799999999999999 109.87 178.259 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -41.85 12.35 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.794 0.725 . . . . 3.71 111.807 179.115 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.73 -60.79 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 118.402 0.547 . . . . 1.6000000000000001 111.732 174.412 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -59.33 -43.18 92.76 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 107.434 -1.321 . . . . 2.2000000000000002 107.434 -173.323 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.07 -36.82 85.26 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.1 0.96 . . . . 0.66000000000000003 109.549 -176.112 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.31 -25.97 37.64 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 118.833 -0.603 . . . . 1.8300000000000001 112.045 171.551 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -97.56 -43.87 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 118.775 0.716 . . . . 3.4700000000000002 112.875 176.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -61.53 -27.4 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.302 -0.874 . . . . 3.3999999999999999 110.383 -175.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -66.45 -13.55 60.94 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.21 0.819 . . . . 0.70999999999999996 113.21 176.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.95 -114.24 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.014 0.926 . . . . 1.8700000000000001 109.342 -178.569 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.36 -46.89 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.365 1.066 . . . . 1.5900000000000001 108.348 177.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.62 -19.28 79.69 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.404 -0.817 . . . . 0.44 113.265 -174.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.9 t -57.93 139.44 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.006 0.522 . . . . 1.6699999999999999 111.142 176.035 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -104.83 -56.05 2.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.306 1.842 . . . . 2.0800000000000001 106.848 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.76 177.44 10.09 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.888 0.875 . . . . 2.9900000000000002 108.664 178.533 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.26 143.62 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 124.437 1.095 . . . . 2.75 109.335 -172.515 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -127.45 94.11 3.9 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.423 1.489 . . . . 2.4399999999999999 109.48 171.893 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 t -88.74 105.86 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 106.401 -1.703 . . . . 3.52 106.401 168.556 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.2 tp -110.44 112.49 24.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.531 -0.914 . . . . 1.77 108.531 179.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -64.1 167.03 6.92 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 123.604 0.762 . . . . 3.3399999999999999 111.783 170.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.71 -33.11 0.26 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.614 1.966 . . . . 2.0299999999999998 112.979 177.262 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -99.07 3.5 46.78 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.062 1.745 . . . . 1.95 110.833 169.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 35.64 37.77 0.04 OUTLIER 'General case' 0 C--O 1.237 0.446 0 C-N-CA 128.096 2.558 . . . . 4.5 113.982 -176.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.13 135.24 44.06 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 106.857 -1.534 . . . . 2.6699999999999999 106.857 -172.31 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.5 141.12 36.54 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.236 -1.394 . . . . 3.21 107.236 161.203 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.88 143.46 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 O-C-N 123.952 0.783 . . . . 1.8899999999999999 109.286 152.239 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.5 t -125.41 133.73 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 105.336 -2.098 . . . . 1.5700000000000001 105.336 173.332 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -107.35 115.18 29.72 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 105.407 -2.071 . . . . 3.6600000000000001 105.407 175.671 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.18 135.83 17.14 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.819 1.19 . . . . 1.6699999999999999 111.893 -174.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.75 58.08 4.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.514 0.673 . . . . 1.99 109.687 -178.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.88 152.58 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 C-N-CA 127.321 2.248 . . . . 1.71 107.7 176.777 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -78.48 115.54 18.26 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 107.874 -1.158 . . . . 3.1499999999999999 107.874 174.162 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -135.04 26.62 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.365 0.603 . . . . 1.77 109.477 179.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 -63.47 -48.24 78.49 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 121.628 -0.67 . . . . 3.96 111.473 -170.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.94 -28.88 58.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.801 0.688 . . . . 1.7 110.553 174.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -75.51 -44.88 41.39 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.525 -0.734 . . . . 2.79 109.213 -177.318 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.48 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 55.9 t -67.19 -48.37 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 120.631 -0.428 . . . . 1.78 110.167 178.052 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -51.01 -60.35 3.18 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 117.765 -1.112 . . . . 3.0600000000000001 110.589 173.713 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.3 t -48.76 -48.46 40.9 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.71 1.141 . . . . 1.4199999999999999 110.969 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.04 -53.37 58.87 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.851 0.46 . . . . 1.46 111.958 177.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 18.0 mt -61.98 -45.18 94.75 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.39 0.676 . . . . 2.6400000000000001 110.84 -178.291 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -52.62 -54.22 36.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.721 -0.672 . . . . 2.3599999999999999 109.263 175.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.41 -42.13 91.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.639 -0.255 . . . . 4.9500000000000002 111.438 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.49 -28.71 46.73 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.255 1.022 . . . . 1.52 111.764 176.542 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.8 49.3 0.38 Allowed Glycine 0 C--N 1.336 0.547 0 N-CA-C 111.211 -0.756 . . . . 0.85999999999999999 111.211 166.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -134.24 -179.23 5.44 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.882 -1.155 . . . . 3.6699999999999999 107.882 171.155 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.3 m -128.93 140.79 51.51 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 104.115 -2.55 . . . . 2.8399999999999999 104.115 164.275 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 pp -127.37 167.53 16.07 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.888 -0.782 . . . . 1.99 108.888 171.284 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.32 125.54 51.3 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 103.47 -2.789 . . . . 4.5599999999999996 103.47 158.365 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -70.13 150.3 46.68 Favored 'General case' 0 N--CA 1.424 -1.764 0 N-CA-C 107.423 -1.325 . . . . 3.0499999999999998 107.423 166.196 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.66 -176.76 3.78 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 112.544 -2.116 . . . . 2.6800000000000002 110.793 -169.001 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -68.82 176.88 2.81 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.823 0.82 . . . . 4.8399999999999999 109.963 174.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.05 -70.02 0.25 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.615 -0.72 . . . . 1.8100000000000001 109.681 173.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -168.77 162.47 11.57 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.265 1.826 . . . . 2.5499999999999998 106.949 176.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 . . . . . 0 C--O 1.253 1.265 0 CA-C-O 117.573 -1.203 . . . . 5.5300000000000002 108.724 153.35 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 111.706 0.261 . . . . 6.3799999999999999 111.706 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.66 -157.39 3.7 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 124.704 1.145 . . . . 2.6000000000000001 110.467 173.58 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.94 146.05 46.17 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.232 -1.025 . . . . 1.77 108.232 172.001 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -97.01 144.24 27.09 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.835 -1.53 . . . . 3.79 107.308 173.081 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.549 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 14.2 m-85 -125.43 134.9 51.94 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 127.058 2.143 . . . . 3.6299999999999999 108.494 171.01 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.458 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 8.0 p -116.53 155.2 29.07 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 123.93 0.769 . . . . 2.5600000000000001 111.068 173.923 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.549 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -141.08 163.37 33.15 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.211 1.004 . . . . 1.1599999999999999 109.98 169.169 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -113.84 118.32 33.9 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 106.461 -1.681 . . . . 2.8999999999999999 106.461 168.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.97 162.85 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.621 -0.881 . . . . 1.6799999999999999 108.621 179.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.34 108.31 6.72 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.053 -1.091 . . . . 1.9399999999999999 108.053 171.503 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.36 -36.96 1.6 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.838 -0.505 . . . . 1.02 111.838 170.809 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -69.9 112.49 6.35 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.466 -0.432 . . . . 2.98 110.439 -177.045 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.94 58.27 0.31 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.734 0.778 . . . . 3.6400000000000001 110.13 166.49 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.61 131.17 9.71 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.643 1.177 . . . . 2.46 110.535 179.412 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.18 72.32 0.11 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.835 1.254 . . . . 2.7999999999999998 113.003 -176.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 179.94 -50.5 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 127.529 2.332 . . . . 1.97 107.975 -173.313 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.0 p -72.55 -33.24 66.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.147 -0.686 . . . . 3.0899999999999999 109.147 179.35 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 39' ' ' PHE . . . -52.35 -49.64 63.92 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.775 -0.454 . . . . 1.5600000000000001 109.775 170.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -61.7 -50.35 72.83 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 119.838 -0.745 . . . . 6.2699999999999996 109.649 178.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -51.14 -44.59 61.42 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.488 1.04 . . . . 4.6699999999999999 112.162 178.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -56.24 -60.17 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.873 0.869 . . . . 1.8899999999999999 111.061 173.645 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -64.56 -38.09 89.8 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 119.385 -0.926 . . . . 2.3900000000000001 108.589 -172.233 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.54 -35.32 80.1 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.258 1.023 . . . . 0.55000000000000004 109.865 178.225 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.56 -23.68 63.09 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.4 0.68 . . . . 1.6399999999999999 112.46 170.03 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -92.98 -46.14 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.315 1.446 . . . . 2.77 110.813 176.478 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -63.72 -32.97 74.63 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 120.723 -1.236 . . . . 3.9399999999999999 109.343 -171.557 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -63.84 -15.78 59.71 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.547 1.314 . . . . 0.84999999999999998 114.547 177.709 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.37 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.002 1.274 . . . . 1.8899999999999999 111.555 -174.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 168.0 -51.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 126.006 1.722 . . . . 1.54 108.694 177.573 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.32 -20.12 79.82 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 115.077 -0.965 . . . . 0.57999999999999996 113.156 -170.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.49 140.99 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.461 1.104 . . . . 1.74 109.681 177.154 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -99.29 -51.86 3.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 107.064 -1.458 . . . . 2.1699999999999999 107.064 169.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -148.72 161.49 41.66 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 124.331 1.052 . . . . 2.7999999999999998 108.597 -170.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 p -152.99 139.88 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 125.195 1.398 . . . . 2.4700000000000002 108.203 -173.612 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -135.38 109.21 8.09 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 122.479 1.133 . . . . 2.4700000000000002 108.989 175.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -97.06 125.21 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 C-N-CA 127.725 2.41 . . . . 2.8799999999999999 106.214 171.655 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.6 tp -126.48 115.27 19.31 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.234 -1.025 . . . . 1.8 108.234 177.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 19' ' ' ALA . 14.2 m-85 -62.7 169.36 3.16 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 124.047 0.939 . . . . 3.5499999999999998 112.453 174.19 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.57 -38.99 0.4 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.168 1.387 . . . . 2.3100000000000001 113.649 -177.409 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -88.19 -4.01 58.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.976 0.91 . . . . 3.5099999999999998 112.158 171.104 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 41.32 37.97 0.72 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.754 2.022 . . . . 4.6600000000000001 113.362 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.55 127.25 53.45 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 106.978 -1.49 . . . . 2.7200000000000002 106.978 -168.269 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.12 136.97 39.21 Favored 'General case' 0 N--CA 1.425 -1.688 0 N-CA-C 108.066 -1.087 . . . . 2.2000000000000002 108.066 177.656 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.2 t -132.77 136.38 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 O-C-N 124.724 1.265 . . . . 2.1099999999999999 110.214 167.39 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.5 t -129.05 135.28 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 106.829 -1.545 . . . . 1.73 106.829 176.803 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.79 107.63 13.87 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.939 1.295 . . . . 2.2200000000000002 107.916 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.08 161.62 31.65 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.282 1.433 . . . . 1.78 109.663 -172.844 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.85 56.39 0.77 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.155 -1.054 . . . . 1.99 108.155 177.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -10.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 117.708 2.484 . . . . 2.9500000000000002 117.708 178.697 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 70.35 107.14 0.06 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 121.414 1.915 . . . . 4.29 112.792 -178.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 pp -147.75 28.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.351 0 O-C-N 121.653 -0.654 . . . . 1.74 111.344 -172.723 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -58.94 -47.24 85.78 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 121.118 -0.989 . . . . 3.3300000000000001 111.612 -173.565 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.23 -33.09 68.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 123.684 0.615 . . . . 1.6499999999999999 110.051 176.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -76.87 -37.13 56.1 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.896 -0.409 . . . . 3.04 109.896 -177.199 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.485 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 79.1 t -64.71 -58.12 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 108.166 -1.05 . . . . 1.8799999999999999 108.166 172.634 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -43.82 -58.24 2.84 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 117.809 -1.091 . . . . 2.3399999999999999 111.443 178.452 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -43.96 -41.75 5.51 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.208 0.913 . . . . 1.7 111.289 178.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.62 -47.05 50.91 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 121.824 -0.547 . . . . 1.49 110.156 -175.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.52 -42.24 98.46 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.354 0.597 . . . . 3.3300000000000001 111.686 176.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.62 -50.73 71.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.841 -0.8 . . . . 2.48 108.841 174.934 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -60.79 -43.17 98.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.225 0.21 . . . . 4.5700000000000003 110.993 177.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.2 -40.28 85.24 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.877 0.871 . . . . 1.6100000000000001 110.578 178.712 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.94 50.82 0.18 Allowed Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.343 0.973 . . . . 0.73999999999999999 111.83 169.171 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -136.72 131.1 33.03 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 117.859 0.83 . . . . 4.3700000000000001 109.955 174.013 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 m -87.47 105.96 17.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.75 -1.204 . . . . 2.8500000000000001 107.75 173.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 pp -101.7 178.75 4.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.203 0.601 . . . . 1.74 110.521 172.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -131.27 131.84 44.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 104.011 -2.588 . . . . 7.5999999999999996 104.011 166.363 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -71.99 124.9 25.92 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 106.627 -1.62 . . . . 2.5600000000000001 106.627 178.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -87.69 178.19 6.82 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 114.572 -1.195 . . . . 2.6000000000000001 110.439 175.592 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -68.55 176.23 3.03 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.598 -1.183 . . . . 6.8399999999999999 109.722 173.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.87 -57.59 7.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.48 -0.782 . . . . 2.1899999999999999 109.122 178.599 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.4 53.31 0.32 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.324 -1.362 . . . . 2.3900000000000001 107.324 176.51 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 C--O 1.25 1.101 0 N-CA-C 107.541 -1.281 . . . . 6.1399999999999997 107.541 -141.877 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 CA--C 1.54 0.596 0 CA-C-O 119.382 -0.342 . . . . 5.5 110.264 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 39.31 -155.35 0.03 OUTLIER Glycine 0 C--N 1.341 0.824 0 C-N-CA 127.784 2.611 . . . . 2.0099999999999998 115.984 176.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.8 m -141.04 134.56 29.96 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 107.849 -1.167 . . . . 1.72 107.849 167.345 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -96.85 118.89 34.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 O-C-N 124.676 1.235 . . . . 4.04 108.776 -176.346 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.572 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 8.6 m-85 -99.1 134.24 42.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.657 -1.611 . . . . 3.23 113.018 170.101 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -106.67 148.09 28.78 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.179 1.392 . . . . 2.7000000000000002 109.232 171.054 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.572 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -136.31 164.9 27.02 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.184 0.994 . . . . 1.1399999999999999 109.826 166.294 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -122.65 102.43 8.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 126.426 1.89 . . . . 4.1600000000000001 107.883 -178.105 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 t -96.64 177.07 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.621 0.724 . . . . 1.75 110.198 -174.755 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 m -156.67 102.11 2.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.623 1.569 . . . . 2.3399999999999999 107.11 173.507 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.62 -32.85 1.1 Allowed Glycine 0 CA--C 1.533 1.198 0 CA-C-N 118.054 0.388 . . . . 0.75 112.826 179.681 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.67 75.45 0.18 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.405 0.682 . . . . 2.7799999999999998 112.234 179.545 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.437 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 9.4 m-20 -120.64 61.47 0.88 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 121.524 0.678 . . . . 4.3799999999999999 111.848 177.753 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.75 155.06 2.57 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 122.035 -0.415 . . . . 2.27 110.724 166.042 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.43 38.58 0.15 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.566 1.546 . . . . 2.5800000000000001 112.889 -175.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.97 -51.98 0.13 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 127.473 2.309 . . . . 2.46 108.616 -172.674 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 m -60.12 -36.57 77.77 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 107.793 -1.188 . . . . 2.7200000000000002 107.793 171.324 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.43 -35.38 52.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.571 -0.74 . . . . 2.0099999999999998 111.944 172.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -74.29 -47.82 32.44 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 121.075 -1.015 . . . . 4.9000000000000004 108.914 175.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -49.56 -37.03 25.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.645 -0.66 . . . . 3.6899999999999999 111.331 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.3 t -55.71 -55.88 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 124.483 1.113 . . . . 1.8300000000000001 111.984 170.893 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -66.18 -43.54 86.58 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.226 0.921 . . . . 1.8500000000000001 108.6 -176.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -65.77 -30.83 71.54 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.176 -0.953 . . . . 0.63 110.384 -176.6 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.83 -22.25 35.09 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 118.334 -0.841 . . . . 1.52 112.058 170.323 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.9 m -106.95 -38.49 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 119.071 0.851 . . . . 3.0 113.187 177.548 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -59.31 -24.5 63.36 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 120.92 -1.113 . . . . 3.4300000000000002 111.11 178.712 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -68.41 -13.07 62.03 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.505 0.928 . . . . 0.68999999999999995 113.505 176.485 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -114.89 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.731 1.212 . . . . 2.0699999999999998 109.337 -178.49 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.78 -49.22 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 125.286 1.435 . . . . 1.6499999999999999 108.454 -179.674 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.56 -18.09 79.95 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 115.659 -0.701 . . . . 0.38 113.115 -174.692 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.61 130.64 22.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.812 0.845 . . . . 1.6399999999999999 110.814 176.297 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.58 -62.67 1.21 Allowed 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.151 1.38 . . . . 2.1299999999999999 108.574 178.384 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -143.83 109.12 5.05 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.878 -1.156 . . . . 2.3999999999999999 107.878 -165.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -102.53 138.83 25.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 123.628 0.771 . . . . 2.3199999999999998 109.32 178.723 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.53 111.36 8.79 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.238 1.018 . . . . 2.2999999999999998 109.338 168.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.04 123.25 44.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 127.818 2.447 . . . . 3.0600000000000001 104.511 170.573 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 tp -106.43 87.45 2.55 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 105.088 -2.19 . . . . 1.76 105.088 172.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 1.6 t80 -69.61 80.52 0.42 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.138 -1.06 . . . . 4.6299999999999999 108.138 170.787 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -167.13 -56.09 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.022 2.129 . . . . 2.77 106.7 166.662 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -97.0 38.39 1.24 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.832 1.253 . . . . 2.6899999999999999 110.885 -177.743 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 36.16 27.35 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 128.742 2.817 . . . . 5.1200000000000001 116.651 175.641 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -114.28 139.62 49.27 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.61 -1.256 . . . . 3.3599999999999999 107.61 -166.179 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.75 143.59 33.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.378 -0.971 . . . . 2.96 108.378 167.396 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -126.51 139.55 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 O-C-N 123.929 0.768 . . . . 1.76 111.258 156.214 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.52 119.54 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 125.688 1.595 . . . . 1.75 107.676 174.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -96.01 125.42 40.54 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.472 -1.677 . . . . 4.0700000000000003 106.472 169.296 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.14 146.2 32.61 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.129 0.571 . . . . 1.6299999999999999 110.628 -177.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -86.28 58.35 5.0 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.958 -0.756 . . . . 2.3799999999999999 108.958 177.394 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.68 160.17 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.219 1.808 . . . . 1.6799999999999999 110.852 175.629 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.94 105.4 4.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.484 1.514 . . . . 4.1299999999999999 110.57 172.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.05 25.02 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 123.284 0.634 . . . . 1.8200000000000001 111.799 175.321 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -62.4 -43.46 98.78 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.924 -1.11 . . . . 5.04 111.179 -174.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.33 -32.91 72.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 123.65 0.594 . . . . 1.71 109.7 174.569 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -46.06 69.7 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.856 -0.794 . . . . 2.79 108.856 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.491 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 55.6 t -65.55 -52.02 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 N-CA-C 108.865 -0.791 . . . . 1.8 108.865 -178.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -44.12 -61.98 1.3 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 117.103 -1.427 . . . . 3.1800000000000002 110.683 171.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -46.88 -46.44 21.12 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 120.05 1.295 . . . . 1.6000000000000001 111.063 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.75 -51.92 67.71 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.496 0.554 . . . . 1.4199999999999999 112.496 177.468 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.22 -41.76 94.1 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.698 0.799 . . . . 1.96 111.411 -178.563 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -54.68 18.45 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.205 1.002 . . . . 2.8900000000000001 108.674 171.484 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -61.76 -47.53 84.79 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.414 0.149 . . . . 4.7199999999999998 110.817 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.15 -33.44 67.42 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.041 0.937 . . . . 1.6899999999999999 110.973 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.71 45.39 0.38 Allowed Glycine 0 CA--C 1.524 0.597 0 C-N-CA 124.318 0.961 . . . . 0.53000000000000003 111.581 165.631 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -137.17 129.26 29.35 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 117.876 0.838 . . . . 3.3199999999999998 109.247 177.249 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 p -84.39 120.08 25.86 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.786 -1.19 . . . . 2.6600000000000001 107.786 177.138 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 pp -121.16 175.15 6.25 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.93 0.892 . . . . 1.9299999999999999 109.93 171.472 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -130.5 155.93 45.64 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.288 -1.745 . . . . 4.2300000000000004 106.288 161.341 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -84.39 92.26 7.99 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.95 1.3 . . . . 2.6800000000000002 110.944 -174.88 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.77 167.34 7.6 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 121.756 -0.59 . . . . 2.2799999999999998 111.874 -173.141 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.87 133.37 3.64 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.073 0.949 . . . . 5.2699999999999996 109.405 160.087 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.95 -74.78 0.07 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.448 0.299 . . . . 2.1600000000000001 110.293 176.598 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -165.6 121.13 1.31 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 106.935 -1.506 . . . . 3.4900000000000002 106.935 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 124.845 1.258 . . . . 8.1199999999999992 111.25 -170.938 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 106.015 -1.846 . . . . 5.6200000000000001 106.015 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -156.2 -161.95 11.06 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 109.798 -1.321 . . . . 1.8700000000000001 109.798 -178.006 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.7 m -142.34 150.16 40.39 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 118.351 1.076 . . . . 2.0499999999999998 111.953 -176.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -99.03 120.41 39.42 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 126.442 1.897 . . . . 4.0800000000000001 109.468 -177.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.469 ' CD1' ' HD2' ' A' ' 53' ' ' ARG . 22.5 m-85 -118.61 123.83 45.96 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.106 1.15 . . . . 3.8500000000000001 114.106 173.656 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.8 m -99.12 157.29 16.46 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.551 0.574 . . . . 2.4500000000000002 112.551 -178.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.541 ' CZ2' ' NE ' ' A' ' 53' ' ' ARG . 19.8 m-90 -138.69 157.04 46.85 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.249 1.42 . . . . 2.8700000000000001 110.165 167.055 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -113.85 94.83 5.01 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.669 -2.345 . . . . 3.54 104.669 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.1 t -95.93 155.28 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.44 -0.948 . . . . 1.8500000000000001 108.44 -166.812 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 t -140.67 99.98 3.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.157 -1.423 . . . . 1.52 107.157 179.053 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.64 -12.26 1.52 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.825 1.679 . . . . 1.1499999999999999 114.389 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -102.61 102.52 12.75 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 120.088 1.944 . . . . 3.0 110.656 -179.28 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -138.92 3.52 2.23 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.042 -1.036 . . . . 4.4299999999999997 113.609 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.7 t -109.85 -90.87 0.46 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.247 1.019 . . . . 2.2200000000000002 112.466 -165.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.78 -62.8 0.01 OUTLIER 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.559 1.143 . . . . 2.29 109.439 -177.415 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.11 -34.45 60.3 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.896 -0.503 . . . . 2.1200000000000001 111.279 177.012 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -69.51 -36.51 76.51 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.45 1.5 . . . . 4.04 109.587 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.13 -43.13 92.95 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.549 -0.908 . . . . 1.6000000000000001 108.549 177.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 67.7 mtt180 -60.21 -50.31 74.17 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 119.515 -0.874 . . . . 4.2000000000000002 109.636 173.613 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -51.22 -42.15 60.76 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.216 -0.927 . . . . 4.3200000000000003 112.127 177.397 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.45 -62.29 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 120.142 1.337 . . . . 1.78 109.952 172.718 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.01 -45.04 95.35 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 107.134 -1.432 . . . . 1.95 107.134 -165.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -61.63 -43.35 99.03 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.887 0.875 . . . . 0.63 110.359 178.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.97 -25.26 66.72 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.672 0.669 . . . . 1.95 112.325 173.677 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 84.2 t -83.49 -37.94 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.936 0.894 . . . . 2.8199999999999998 110.111 172.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -70.34 -37.11 74.59 Favored 'General case' 0 C--O 1.227 -0.085 0 O-C-N 120.257 -1.527 . . . . 3.4199999999999999 110.321 -174.115 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -58.77 -18.73 34.44 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.328 0.862 . . . . 0.88 113.328 -175.759 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.12 -89.22 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.869 0.868 . . . . 1.72 111.779 -174.795 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 159.98 -54.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 128.576 2.75 . . . . 1.71 108.332 -178.048 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.07 -3.43 89.51 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.584 -0.734 . . . . 0.81999999999999995 114.227 -168.291 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.7 t -79.24 143.45 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.917 -1.142 . . . . 1.8200000000000001 107.917 176.3 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -110.39 -48.4 3.17 Favored 'General case' 0 C--N 1.338 0.101 0 N-CA-C 109.271 -0.64 . . . . 3.3399999999999999 109.271 168.788 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -139.47 158.32 44.33 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.838 0.855 . . . . 2.8799999999999999 108.694 -176.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.9 p -143.38 136.43 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 124.779 1.231 . . . . 2.8900000000000001 108.616 -179.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -112.64 91.54 3.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 127.202 2.201 . . . . 2.0899999999999999 108.778 171.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.53 114.93 28.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 105.563 -2.014 . . . . 2.6699999999999999 105.563 169.287 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.1 tp -125.63 112.18 15.85 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.563 -0.71 . . . . 1.5600000000000001 109.243 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -60.0 167.71 2.17 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.029 0.932 . . . . 3.2799999999999998 112.238 170.435 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.85 -55.28 0.67 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.917 2.087 . . . . 2.2799999999999998 111.374 175.433 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -62.53 -34.13 76.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.539 -0.912 . . . . 2.23 108.539 160.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 59.2 45.27 14.54 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.466 1.506 . . . . 4.8099999999999996 109.193 -176.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.25 139.38 34.99 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.231 -1.804 . . . . 2.3700000000000001 108.505 -177.182 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.258 0.4 OUTLIER -96.98 143.87 27.43 Favored 'General case' 0 CA--C 1.491 -1.301 0 N-CA-C 106.251 -1.759 . . . . 2.9399999999999999 106.251 160.688 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 t -138.39 133.62 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 106.642 -1.614 . . . . 1.6599999999999999 106.642 149.073 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 22.7 t -118.51 110.42 30.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 126.504 1.922 . . . . 2.2400000000000002 108.071 179.198 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -98.61 104.63 16.68 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 106.115 -1.809 . . . . 2.4700000000000002 106.115 178.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.32 138.03 39.56 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.741 1.216 . . . . 1.6299999999999999 110.57 -166.459 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -87.97 55.63 3.54 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.91 -0.494 . . . . 3.04 111.048 -170.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 154.75 152.28 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 126.144 1.777 . . . . 1.77 107.564 -166.233 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -74.24 121.2 20.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.295 -1.002 . . . . 3.1899999999999999 108.295 163.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 pp -134.06 19.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 124.544 1.138 . . . . 1.8500000000000001 108.641 167.578 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.541 ' NE ' ' CZ2' ' A' ' 8' ' ' TRP . 28.0 mtp180 -65.65 -46.39 79.36 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 120.393 -1.442 . . . . 4.71 111.535 -161.02 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.61 -29.04 1.64 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.214 1.005 . . . . 1.8200000000000001 110.14 174.562 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -74.99 -48.28 24.99 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.476 -0.935 . . . . 3.0899999999999999 108.476 -178.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.5 t -58.01 -55.6 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.187 0.595 . . . . 1.8799999999999999 109.956 174.182 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -50.07 -53.95 23.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.736 1.214 . . . . 3.23 110.405 177.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -55.85 -48.74 74.98 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.653 1.115 . . . . 1.1899999999999999 109.801 176.645 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.98 -47.14 68.43 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 123.036 0.534 . . . . 1.3999999999999999 112.004 179.25 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.37 -46.78 75.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.884 1.273 . . . . 2.1000000000000001 108.743 -178.135 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -48.72 -51.92 26.27 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.944 -1.025 . . . . 2.4399999999999999 111.281 172.418 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -67.76 -41.96 82.53 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.979 -0.451 . . . . 8.9399999999999995 111.333 179.374 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.73 79.69 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 123.942 0.897 . . . . 1.6799999999999999 110.643 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.98 50.89 0.09 OUTLIER Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.252 -0.739 . . . . 0.82999999999999996 111.252 169.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -132.55 -179.25 5.33 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.681 -0.859 . . . . 3.6800000000000002 108.681 171.449 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.9 p -142.43 135.24 28.29 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 105.001 -2.222 . . . . 2.71 105.001 172.101 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.08 169.24 22.32 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.283 1.433 . . . . 4.3099999999999996 107.217 179.231 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -141.55 116.87 10.11 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 102.811 -3.033 . . . . 4.3899999999999997 102.811 -174.135 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -28.01 102.37 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.843 1.657 . . . . 3.3300000000000001 113.332 174.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.18 179.02 7.86 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.971 -1.122 . . . . 3.73 107.971 176.014 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -64.7 166.91 8.05 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.62 0.724 . . . . 5.2199999999999998 110.349 167.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.87 -59.59 5.18 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.317 -0.994 . . . . 2.7200000000000002 108.317 171.777 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.62 155.37 46.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.506 1.923 . . . . 3.04 105.873 167.081 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 117.009 -1.472 . . . . 8.1999999999999993 108.512 166.077 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.45 -0.447 0 N-CA-C 106.304 -1.739 . . . . 5.9000000000000004 106.304 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.01 105.16 2.56 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 108.185 -1.966 . . . . 2.8199999999999998 108.185 -177.535 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.62 146.73 40.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 107.326 -1.361 . . . . 2.54 107.326 -177.241 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -108.78 139.64 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.632 0.773 . . . . 5.1200000000000001 110.335 -177.404 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.596 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 14.9 m-85 -129.29 130.11 45.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.612 1.165 . . . . 3.1000000000000001 111.158 176.545 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -100.28 145.83 27.64 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.98 1.712 . . . . 2.75 110.197 175.155 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.596 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -139.85 162.11 35.96 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.003 0.921 . . . . 1.1100000000000001 110.688 163.076 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -113.03 94.66 5.0 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.164 1.786 . . . . 3.0600000000000001 107.923 -173.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.1 t -96.93 124.58 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 118.777 0.717 . . . . 2.0699999999999998 110.019 -167.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -117.17 108.81 16.13 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.648 -1.612 . . . . 1.8899999999999999 106.648 170.345 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.42 -29.25 1.77 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.902 -0.879 . . . . 1.1399999999999999 110.902 172.482 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.21 81.09 0.72 Allowed 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.045 -0.724 . . . . 6.5499999999999998 109.045 174.626 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 10.4 m-20 -141.32 69.06 1.33 Allowed 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 123.475 0.484 . . . . 5.1900000000000004 110.144 -176.25 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.5 t -150.06 -95.83 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.438 0.295 . . . . 3.3799999999999999 110.315 172.331 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.68 -66.96 0.03 OUTLIER 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 124.236 1.014 . . . . 3.0299999999999998 108.856 178.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.08 -19.21 61.16 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.543 -0.723 . . . . 2.3700000000000001 112.103 174.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 m -68.74 -25.89 64.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.539 1.136 . . . . 3.1499999999999999 109.186 175.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.67 -49.46 73.12 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.599 -0.519 . . . . 1.71 109.599 171.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.5 mtt180 -58.46 -42.46 87.52 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 120.124 -0.631 . . . . 3.5099999999999998 110.458 176.667 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -45.32 -44.06 11.29 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.447 1.021 . . . . 3.9700000000000002 112.093 173.259 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.75 -60.65 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 119.585 1.084 . . . . 2.0800000000000001 110.81 177.104 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -61.11 -38.46 86.4 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 106.871 -1.529 . . . . 2.0600000000000001 106.871 -168.392 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -70.17 -38.88 75.52 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.212 -0.93 . . . . 0.58999999999999997 110.616 -179.03 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 -25.6 27.46 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.996 0.918 . . . . 1.8300000000000001 112.058 172.288 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.3 m -103.91 -37.4 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 113.296 0.85 . . . . 3.23 113.296 177.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.06 -28.95 63.02 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 120.942 -1.099 . . . . 3.1299999999999999 109.998 178.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.22 -13.07 61.97 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.758 1.022 . . . . 0.65000000000000002 113.758 177.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -115.5 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.051 0.941 . . . . 1.96 109.279 -178.712 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.38 -48.09 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 124.627 1.171 . . . . 1.6799999999999999 108.394 -179.281 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.62 -22.57 77.02 Favored Glycine 0 CA--C 1.529 0.906 0 CA-C-N 115.799 -0.637 . . . . 0.54000000000000004 113.021 -174.652 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.1 t -50.23 139.43 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 124.584 1.154 . . . . 1.97 111.949 174.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -123.57 -60.8 1.44 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.849 0.859 . . . . 3.5099999999999998 112.152 172.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -138.24 76.96 1.6 Allowed 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.147 1.339 . . . . 2.6600000000000001 111.924 -162.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.6 t -82.37 145.67 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 124.621 1.168 . . . . 4.0800000000000001 109.38 -171.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.65 103.19 4.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 122.245 1.021 . . . . 2.5699999999999998 109.676 175.373 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 t -92.6 106.03 17.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 126.336 1.854 . . . . 3.23 107.733 178.198 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.9 tp -99.86 75.87 1.92 Allowed 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.755 1.264 . . . . 1.7 107.606 178.098 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.4 t80 -60.23 103.71 0.25 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.084 -1.416 . . . . 4.6100000000000003 107.383 163.535 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 142.8 -29.49 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 129.19 2.996 . . . . 2.98 110.019 -177.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -124.19 38.25 4.23 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.368 -0.604 . . . . 2.2799999999999998 109.368 177.276 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 35.75 27.94 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 128.556 2.742 . . . . 5.7699999999999996 115.003 179.248 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.44 124.31 51.52 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.547 -0.909 . . . . 2.4399999999999999 108.547 -163.741 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.3 123.65 41.18 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 104.532 -2.396 . . . . 2.54 104.532 165.854 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 t -126.71 133.24 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 118.837 0.744 . . . . 1.6200000000000001 111.012 159.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.0 t -125.83 117.96 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 N-CA-C 106.832 -1.544 . . . . 1.6200000000000001 106.832 177.482 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.93 118.83 36.58 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 106.648 -1.612 . . . . 2.2999999999999998 106.648 171.076 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.53 144.26 31.24 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.528 1.931 . . . . 1.54 111.568 -170.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.32 56.76 3.48 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.17 0.988 . . . . 2.1099999999999999 109.882 178.734 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.0 168.4 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 127.486 2.314 . . . . 1.73 106.896 175.824 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.45 130.54 34.76 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 119.87 1.214 . . . . 3.3799999999999999 108.921 164.17 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.89 29.97 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 O-C-N 123.578 0.549 . . . . 1.8500000000000001 109.591 171.294 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mtm-85 -64.98 -49.48 70.1 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.679 -1.263 . . . . 3.8500000000000001 111.342 -167.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.54 -32.77 69.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 123.817 0.698 . . . . 1.6200000000000001 110.188 173.161 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.9 -46.45 68.3 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 119.871 -0.732 . . . . 3.54 109.643 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.524 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 42.5 t -66.49 -52.35 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 N-CA-C 107.884 -1.154 . . . . 1.7 107.884 -178.467 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -46.98 -56.47 6.35 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 118.264 -0.874 . . . . 2.8399999999999999 111.704 176.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -47.9 -42.63 27.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.816 0.735 . . . . 1.29 111.138 177.457 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.34 -45.15 66.72 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.42 -0.8 . . . . 1.7 110.558 -176.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mp -64.25 -42.77 96.36 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.368 0.604 . . . . 2.9700000000000002 110.417 179.046 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -49.73 75.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.816 -0.629 . . . . 2.1899999999999999 109.686 175.732 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.09 -37.85 88.83 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.45 -0.157 . . . . 5.8300000000000001 111.418 178.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.07 85.65 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.842 0.857 . . . . 1.77 110.183 176.44 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.41 41.97 0.28 Allowed Glycine 0 CA--C 1.523 0.567 0 C-N-CA 124.363 0.983 . . . . 0.62 111.624 168.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -116.63 166.56 11.97 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 117.585 0.692 . . . . 3.5600000000000001 110.054 174.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -118.81 131.41 56.09 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 105.438 -2.06 . . . . 2.04 105.438 171.132 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.0 pp -142.27 170.99 14.68 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 124.232 0.958 . . . . 1.96 108.623 175.337 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -134.91 126.55 28.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 104.02 -2.585 . . . . 4.5800000000000001 104.02 175.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -52.83 114.39 1.4 Allowed 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.124 0.97 . . . . 3.02 108.429 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.24 167.11 11.56 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 114.773 -1.103 . . . . 2.4100000000000001 108.692 -179.106 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -49.18 156.45 0.56 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.854 -1.066 . . . . 4.8600000000000003 110.901 169.248 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.42 -57.15 14.2 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.819 0.818 . . . . 1.79 109.342 173.049 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.97 164.38 38.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.708 2.003 . . . . 2.1800000000000002 105.807 168.057 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.207 -1.377 . . . . 6.5599999999999996 108.599 166.996 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 106.089 -1.819 . . . . 5.3200000000000003 106.089 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.4 156.52 11.7 Favored Glycine 0 C--N 1.334 0.462 0 N-CA-C 111.24 -0.744 . . . . 2.23 111.24 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.29 155.89 16.98 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.696 -1.224 . . . . 2.27 107.696 -178.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -99.24 141.49 31.94 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.883 -1.053 . . . . 4.5800000000000001 109.332 178.45 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' CB ' ' CZ3' ' A' ' 8' ' ' TRP . 13.0 m-85 -124.16 123.8 41.08 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 125.966 1.706 . . . . 3.2799999999999998 108.94 171.841 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.475 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 11.2 t -99.57 158.48 15.72 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.913 0.758 . . . . 3.1200000000000001 109.144 169.652 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.544 ' CZ3' ' CB ' ' A' ' 6' ' ' TYR . 0.9 OUTLIER -134.76 167.4 20.93 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 126.65 1.98 . . . . 1.1599999999999999 107.158 163.33 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -112.01 127.82 56.0 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 105.488 -2.042 . . . . 2.8300000000000001 105.488 161.456 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.58 164.45 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 124.732 1.213 . . . . 1.5900000000000001 109.834 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -145.45 115.73 7.52 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.187 -1.042 . . . . 2.02 108.187 164.507 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.96 -37.98 1.07 Allowed Glycine 0 CA--C 1.528 0.865 0 O-C-N 123.524 0.515 . . . . 0.80000000000000004 112.429 169.266 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -68.52 -25.05 64.75 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 116.707 2.114 . . . . 3.3100000000000001 116.707 -162.051 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -51.34 77.66 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.418 1.887 . . . . 2.8999999999999999 115.406 -165.318 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.7 m -143.51 -96.99 0.11 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.954 1.701 . . . . 2.7200000000000002 110.531 176.358 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.86 -68.13 0.03 OUTLIER 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.701 1.2 . . . . 2.3799999999999999 109.185 -178.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.23 -31.63 44.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.591 0.757 . . . . 1.8300000000000001 112.086 177.153 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.3 m -68.73 -33.87 74.65 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.914 -0.773 . . . . 2.5499999999999998 108.914 -178.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.71 84.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.752 -0.833 . . . . 2.02 108.752 175.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -58.75 -53.13 61.86 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 109.702 -0.481 . . . . 5.5899999999999999 109.702 175.479 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -46.17 -47.07 17.69 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 120.345 -0.542 . . . . 4.1200000000000001 111.666 177.231 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 99.5 t -62.55 -58.22 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 118.656 0.662 . . . . 1.79 112.571 176.464 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -59.56 -41.46 90.23 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 107.757 -1.201 . . . . 2.25 107.757 -171.734 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -63.88 -38.83 92.55 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.081 -1.012 . . . . 0.77000000000000002 110.813 176.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.2 -28.74 19.5 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.705 0.802 . . . . 1.6299999999999999 111.976 173.039 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.6 m -98.55 -41.12 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 112.432 0.53 . . . . 3.3399999999999999 112.432 178.5 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -59.73 -29.95 68.49 Favored 'General case' 0 N--CA 1.462 0.136 0 O-C-N 121.692 -0.63 . . . . 4.8600000000000003 110.131 -177.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.53 -14.09 62.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.891 1.071 . . . . 0.70999999999999996 113.891 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.62 -116.07 0.0 OUTLIER 'General case' 0 C--N 1.343 0.306 0 CA-C-N 118.999 0.818 . . . . 2.21 110.441 178.391 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.1 -49.32 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.177 0 N-CA-C 109.109 -0.7 . . . . 1.5800000000000001 109.109 -177.149 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.35 -14.66 75.97 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 115.652 -0.704 . . . . 0.44 113.017 -175.368 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.31 132.74 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.952 0.901 . . . . 1.76 109.074 169.224 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -111.19 -61.2 1.73 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.908 -1.145 . . . . 2.2799999999999998 107.908 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -119.3 159.8 23.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.983 1.713 . . . . 3.0299999999999998 107.499 -176.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.33 138.87 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.402 1.081 . . . . 2.7000000000000002 108.651 -178.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -126.27 95.12 4.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.337 1.455 . . . . 2.2200000000000002 108.796 174.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.3 t -92.92 103.47 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 107.006 -1.479 . . . . 3.2000000000000002 107.006 169.141 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.4 tp -113.52 103.9 11.72 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.66 -1.237 . . . . 1.6299999999999999 107.66 178.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.53 163.6 5.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.712 0.405 . . . . 4.4400000000000004 111.595 175.482 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.45 -43.15 0.45 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.556 2.342 . . . . 2.0899999999999999 110.875 173.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.1 m -67.8 -30.05 69.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.209 0.603 . . . . 2.27 109.434 162.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 50.72 33.99 9.25 Favored 'General case' 0 C--N 1.344 0.338 0 C-N-CA 124.963 1.305 . . . . 4.1699999999999999 111.703 -173.361 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -88.35 137.54 32.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.384 -2.08 . . . . 2.5499999999999998 105.384 169.522 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.45 116.53 27.84 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 117.601 -1.19 . . . . 2.0899999999999999 108.555 168.172 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.91 138.55 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 O-C-N 123.985 0.803 . . . . 1.72 110.517 170.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 81.1 t -128.67 126.37 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 C-N-CA 125.789 1.636 . . . . 1.79 106.886 172.245 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.68 108.49 18.4 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.076 -1.824 . . . . 2.25 106.076 -177.547 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.99 140.42 34.35 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.737 1.215 . . . . 1.6200000000000001 112.545 -161.07 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.59 63.53 4.76 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.873 0.869 . . . . 2.21 109.529 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 161.03 160.08 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 129.595 3.158 . . . . 1.79 106.98 173.596 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -82.93 124.28 30.21 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.731 1.213 . . . . 4.0300000000000002 109.659 175.31 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 pp -145.2 25.04 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 118.806 0.73 . . . . 1.75 111.606 -178.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -59.4 -46.41 88.77 Favored 'General case' 0 CA--C 1.511 -0.557 0 O-C-N 121.264 -0.897 . . . . 3.3300000000000001 111.281 -174.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.59 -32.57 70.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 123.974 0.796 . . . . 1.3899999999999999 109.848 177.064 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -49.2 61.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.815 -0.809 . . . . 3.0 108.815 179.569 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.479 ' CG1' ' CZ2' ' A' ' 8' ' ' TRP . 86.3 t -66.31 -48.2 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 N-CA-C 108.711 -0.848 . . . . 1.77 108.711 -175.697 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -48.38 -54.8 12.66 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 117.844 -1.074 . . . . 2.5299999999999998 112.178 170.593 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -53.32 -49.3 67.35 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.734 1.152 . . . . 1.3999999999999999 109.351 -179.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.58 89.13 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.139 0.422 . . . . 1.4399999999999999 112.139 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.8 mt -68.66 -40.29 80.24 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.798 0.839 . . . . 2.2000000000000002 109.632 -177.197 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -54.27 34.0 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.377 -0.828 . . . . 2.9500000000000002 110.059 170.246 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -64.13 -39.69 94.58 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.033 -0.417 . . . . 8.1099999999999994 111.585 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.47 70.56 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.356 0.662 . . . . 1.53 110.715 176.345 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.83 44.25 0.9 Allowed Glycine 0 C--N 1.336 0.536 0 C-N-CA 124.124 0.869 . . . . 0.58999999999999997 111.322 168.273 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -124.8 141.88 51.81 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.061 -1.089 . . . . 3.4399999999999999 108.061 169.416 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.1 m -83.92 138.89 32.94 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 106.853 -1.536 . . . . 2.1499999999999999 106.853 166.933 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 pp -135.45 175.85 9.21 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.466 -0.568 . . . . 2.0600000000000001 109.466 168.412 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -126.98 132.45 50.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 105.042 -2.207 . . . . 4.29 105.042 155.504 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.37 142.94 55.31 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.329 -1.73 . . . . 2.7999999999999998 106.329 175.39 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -106.43 172.58 6.74 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 113.435 -1.711 . . . . 2.6099999999999999 111.774 177.073 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -65.37 175.19 1.81 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-N 113.847 -1.524 . . . . 4.3799999999999999 111.036 175.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.66 63.52 5.11 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.299 0.571 . . . . 2.54 110.807 -178.314 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 76.04 -64.18 0.36 Allowed 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 126.032 1.733 . . . . 3.2999999999999998 110.613 -170.346 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--O 1.255 1.343 0 CA-C-O 115.866 -2.016 . . . . 5.1900000000000004 105.735 177.769 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.665 -0.865 . . . . 0.92 108.665 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -99.14 113.51 25.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.362 -1.29 . . . . 5.62 109.587 -174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.622 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.6 m-85 -98.1 141.63 30.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.784 1.234 . . . . 2.05 112.076 172.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 4.7 m -123.38 151.57 42.43 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 123.607 0.763 . . . . 2.08 110.506 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.792 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -140.31 159.22 42.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 1.1 109.506 171.414 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 21.7 mtpt -110.66 120.19 41.6 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.379 -2.082 . . . . 1.87 105.379 172.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.38 160.06 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.311 1.044 . . . . 1.09 109.357 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.74 113.81 15.19 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.636 -1.246 . . . . 0.88 107.636 166.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -26.19 2.97 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.543 2.021 . . . . 0.89 112.628 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.36 77.23 8.26 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.184 -1.186 . . . . 2.05 112.288 -168.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -142.56 69.13 1.31 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.786 0.803 . . . . 3.44 110.669 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -162.96 149.57 12.6 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.804 -0.56 . . . . 2.29 111.104 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 63.71 3.0 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.565 0.95 . . . . 2.92 113.565 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.6 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 127.172 2.189 . . . . 0.85 109.383 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -68.22 -31.71 71.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.879 -0.786 . . . . 2.68 108.879 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -56.48 -47.02 80.12 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.502 -0.479 . . . . 0.49 111.249 172.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 41.2 mtt85 -63.58 -53.24 54.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.45 -0.945 . . . . 3.41 108.45 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.04 -37.75 54.64 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.446 -0.784 . . . . 4.15 111.991 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.51 -61.87 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.286 0.634 . . . . 0.59 110.873 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.4 pt-20 -61.67 -41.44 97.55 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 119.461 1.028 . . . . 1.77 108.444 -171.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -62.85 -34.86 78.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.405 1.082 . . . . 0.54 110.745 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -56.8 -24.76 53.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.442 0.565 . . . . 0.46 112.225 168.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.578 HG12 HG21 ' A' ' 32' ' ' VAL . 4.0 t -95.07 -44.78 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.642 1.177 . . . . 1.67 111.141 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -61.36 -29.87 70.17 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.376 -1.452 . . . . 2.89 110.18 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.62 -12.21 21.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.978 1.103 . . . . 0.52 113.978 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -71.87 -119.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.165 0.893 . . . . 0.45 109.276 176.29 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.21 -48.91 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.498 -0.751 . . . . 0.3 109.36 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.88 -20.62 79.74 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 115.662 -0.699 . . . . 0.46 112.407 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 HG12 ' A' ' 26' ' ' VAL . 69.5 t -62.85 134.21 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.083 -0.71 . . . . 0.44 109.083 174.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.84 21.37 1.97 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.557 0.577 . . . . 2.34 112.557 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -178.99 143.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.821 2.048 . . . . 1.39 106.008 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.38 138.46 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.056 1.342 . . . . 2.72 108.398 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 5.1 mt-30 -131.82 87.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.577 1.151 . . . . 1.83 108.663 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.19 109.71 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.068 1.347 . . . . 1.71 107.524 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.8 tp -112.33 116.17 29.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.933 0.893 . . . . 0.5 109.141 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 26.6 m-85 -62.37 167.61 4.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.198 0.599 . . . . 2.66 111.669 170.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.33 -50.43 0.55 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 127.04 2.136 . . . . 1.19 112.643 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -71.7 -26.11 62.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.45 -0.781 . . . . 0.98 109.429 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 57.54 38.62 28.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 122.678 1.227 . . . . 4.23 108.993 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.77 128.08 54.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 106.409 -1.7 . . . . 1.37 106.409 -171.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -99.98 139.07 36.18 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 107.971 -1.122 . . . . 1.11 107.971 -178.228 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 9.4 t -130.13 147.86 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 O-C-N 124.412 1.07 . . . . 0.68 110.237 160.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.1 t -138.56 120.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.945 1.698 . . . . 0.37 106.635 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.35 113.36 26.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.45 -1.685 . . . . 2.26 106.45 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.26 140.09 35.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.238 0.615 . . . . 0.49 109.422 -173.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 58.01 4.81 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.385 -0.598 . . . . 1.9 109.385 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.21 151.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.313 2.245 . . . . 1.77 109.009 178.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.425 ' OD2' ' NH1' ' A' ' 53' ' ' ARG . 14.3 t0 -70.67 125.08 25.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.562 -0.903 . . . . 3.3 108.562 169.735 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.8 27.19 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.547 -0.909 . . . . 0.53 108.547 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 49.6 mtm-85 -63.59 -43.76 96.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 121.149 -0.97 . . . . 2.49 111.2 -169.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -32.43 68.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.694 0.621 . . . . 0.3 109.672 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -45.16 57.97 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.816 -0.809 . . . . 2.95 108.816 -177.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.792 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 99.2 t -65.51 -47.43 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.737 -0.838 . . . . 0.51 108.737 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -46.84 -59.54 3.0 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.793 -1.099 . . . . 2.38 111.45 170.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -48.6 -43.81 36.45 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.704 1.138 . . . . 0.55 110.318 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -59.28 -48.81 80.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.377 0.671 . . . . 0.35 112.467 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD12 HG12 ' A' ' 56' ' ' VAL . 52.2 mt -71.31 -38.66 71.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.166 0.986 . . . . 1.01 110.286 -175.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -58.07 7.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.405 -0.816 . . . . 2.66 110.522 166.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -60.89 -35.3 76.29 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.998 1.272 . . . . 5.13 111.609 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -20.51 66.38 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.926 0.49 . . . . 0.65 111.801 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.68 37.71 3.89 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.413 1.006 . . . . 0.6 111.541 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -127.6 122.96 34.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.626 0.713 . . . . 2.12 109.177 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m -81.39 114.31 20.07 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.976 -1.49 . . . . 2.0 106.976 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.559 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.1 pp -110.52 -179.61 3.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.311 0.644 . . . . 0.81 110.979 173.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.61 128.63 37.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.003 -2.221 . . . . 3.23 105.003 163.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 115.65 5.27 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 125.486 1.515 . . . . 3.67 107.372 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.418 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 6.5 mm-40 -90.88 165.21 13.72 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 123.11 1.433 . . . . 2.78 112.373 174.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 . . . . . 0 CA--C 1.537 0.443 0 CA-C-N 113.25 -1.795 . . . . 5.79 110.889 175.702 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.665 -0.865 . . . . 0.92 108.665 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -99.14 113.51 25.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.362 -1.29 . . . . 5.62 109.587 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.622 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.6 m-85 -98.1 141.63 30.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.784 1.234 . . . . 2.05 112.076 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 4.7 m -123.38 151.57 42.43 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 123.607 0.763 . . . . 2.08 110.506 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.792 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -140.31 159.22 42.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 1.1 109.506 171.414 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 21.7 mtpt -110.66 120.19 41.6 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.379 -2.082 . . . . 1.87 105.379 172.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.38 160.06 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.311 1.044 . . . . 1.09 109.357 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.74 113.81 15.19 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.636 -1.246 . . . . 0.88 107.636 166.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -26.19 2.97 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.543 2.021 . . . . 0.89 112.628 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.36 77.23 8.26 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.184 -1.186 . . . . 2.05 112.288 -168.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -142.56 69.13 1.31 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.786 0.803 . . . . 3.44 110.669 166.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -162.96 149.57 12.6 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.804 -0.56 . . . . 2.29 111.104 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 63.71 3.0 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.565 0.95 . . . . 2.92 113.565 -169.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.6 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 127.172 2.189 . . . . 0.85 109.383 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -68.22 -31.71 71.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.879 -0.786 . . . . 2.68 108.879 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -56.48 -47.02 80.12 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.502 -0.479 . . . . 0.49 111.249 172.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 41.2 mtt85 -63.58 -53.24 54.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.45 -0.945 . . . . 3.41 108.45 178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.04 -37.75 54.64 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.446 -0.784 . . . . 4.15 111.991 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.51 -61.87 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.286 0.634 . . . . 0.59 110.873 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.4 pt-20 -61.67 -41.44 97.55 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 119.461 1.028 . . . . 1.77 108.444 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -62.85 -34.86 78.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.405 1.082 . . . . 0.54 110.745 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -56.8 -24.76 53.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.442 0.565 . . . . 0.46 112.225 168.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.578 HG12 HG21 ' A' ' 32' ' ' VAL . 4.0 t -95.07 -44.78 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.642 1.177 . . . . 1.67 111.141 177.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -61.36 -29.87 70.17 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.376 -1.452 . . . . 2.89 110.18 -173.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.62 -12.21 21.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.978 1.103 . . . . 0.52 113.978 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -71.87 -119.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.165 0.893 . . . . 0.45 109.276 176.29 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.21 -48.91 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.498 -0.751 . . . . 0.3 109.36 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.88 -20.62 79.74 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 115.662 -0.699 . . . . 0.46 112.407 -176.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 HG12 ' A' ' 26' ' ' VAL . 69.5 t -62.85 134.21 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.083 -0.71 . . . . 0.44 109.083 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.84 21.37 1.97 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.557 0.577 . . . . 2.34 112.557 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -178.99 143.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.821 2.048 . . . . 1.39 106.008 174.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.38 138.46 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.056 1.342 . . . . 2.72 108.398 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 5.1 mt-30 -131.82 87.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.577 1.151 . . . . 1.83 108.663 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.19 109.71 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.068 1.347 . . . . 1.71 107.524 173.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.8 tp -112.33 116.17 29.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.933 0.893 . . . . 0.5 109.141 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 26.6 m-85 -62.37 167.61 4.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.198 0.599 . . . . 2.66 111.669 170.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.33 -50.43 0.55 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 127.04 2.136 . . . . 1.19 112.643 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -71.7 -26.11 62.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.45 -0.781 . . . . 0.98 109.429 171.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 57.54 38.62 28.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 122.678 1.227 . . . . 4.23 108.993 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.77 128.08 54.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 106.409 -1.7 . . . . 1.37 106.409 -171.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -99.98 139.07 36.18 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 107.971 -1.122 . . . . 1.11 107.971 -178.228 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 9.4 t -130.13 147.86 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 O-C-N 124.412 1.07 . . . . 0.68 110.237 160.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.1 t -138.56 120.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.945 1.698 . . . . 0.37 106.635 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.35 113.36 26.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.45 -1.685 . . . . 2.26 106.45 175.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.26 140.09 35.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.238 0.615 . . . . 0.49 109.422 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 58.01 4.81 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.385 -0.598 . . . . 1.9 109.385 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.21 151.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.313 2.245 . . . . 1.77 109.009 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.425 ' OD2' ' NH1' ' A' ' 53' ' ' ARG . 14.3 t0 -70.67 125.08 25.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.562 -0.903 . . . . 3.3 108.562 169.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.8 27.19 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.547 -0.909 . . . . 0.53 108.547 169.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 49.6 mtm-85 -63.59 -43.76 96.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 121.149 -0.97 . . . . 2.49 111.2 -169.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -32.43 68.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.694 0.621 . . . . 0.3 109.672 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -45.16 57.97 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.816 -0.809 . . . . 2.95 108.816 -177.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.792 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 99.2 t -65.51 -47.43 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.737 -0.838 . . . . 0.51 108.737 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -46.84 -59.54 3.0 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.793 -1.099 . . . . 2.38 111.45 170.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -48.6 -43.81 36.45 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.704 1.138 . . . . 0.55 110.318 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -59.28 -48.81 80.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.377 0.671 . . . . 0.35 112.467 177.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD12 HG12 ' A' ' 56' ' ' VAL . 52.2 mt -71.31 -38.66 71.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.166 0.986 . . . . 1.01 110.286 -175.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -58.07 7.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.405 -0.816 . . . . 2.66 110.522 166.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -60.89 -35.3 76.29 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.998 1.272 . . . . 5.13 111.609 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -20.51 66.38 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.926 0.49 . . . . 0.65 111.801 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.68 37.71 3.89 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.413 1.006 . . . . 0.6 111.541 172.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -127.6 122.96 34.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.626 0.713 . . . . 2.12 109.177 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m -81.39 114.31 20.07 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.976 -1.49 . . . . 2.0 106.976 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.559 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.1 pp -110.52 -179.61 3.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.311 0.644 . . . . 0.81 110.979 173.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.61 128.63 37.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.003 -2.221 . . . . 3.23 105.003 163.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 115.65 5.27 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 125.486 1.515 . . . . 3.67 107.372 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.418 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 6.5 mm-40 -90.88 165.21 13.72 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 123.11 1.433 . . . . 2.78 112.373 174.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 . . . . . 0 CA--C 1.537 0.443 0 CA-C-N 113.25 -1.795 . . . . 5.79 110.889 175.702 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 109.573 -0.528 . . . . 0.91 109.573 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.24 112.25 24.3 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.383 -1.28 . . . . 4.73 107.871 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.726 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 34.0 m-85 -103.78 128.64 51.17 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.627 0.603 . . . . 1.83 112.627 169.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.454 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 5.6 m -108.79 149.15 29.47 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.114 0.884 . . . . 2.12 110.213 175.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.867 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -135.3 167.24 21.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.164 0.586 . . . . 1.09 111.338 166.821 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -117.88 105.92 12.43 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 126.6 1.96 . . . . 2.89 106.227 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.6 HG21 HD23 ' A' ' 44' ' ' LEU . 11.8 t -108.2 144.49 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 119.704 1.138 . . . . 0.98 108.534 -170.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.9 99.25 5.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.177 -1.046 . . . . 0.9 108.177 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.5 -34.9 0.82 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 123.483 0.563 . . . . 0.76 111.698 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.6 ptm -69.79 95.71 0.92 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 122.326 -0.514 . . . . 2.07 111.518 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -148.91 82.68 1.45 Allowed 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.908 -0.495 . . . . 2.74 109.798 163.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -155.16 -95.57 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.092 0.557 . . . . 2.16 110.577 174.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.82 -58.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.206 1.403 . . . . 2.15 108.345 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.75 -33.99 50.87 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.787 -0.642 . . . . 0.93 110.831 171.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 m -72.26 -41.44 66.73 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.423 -0.954 . . . . 1.78 108.423 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -59.7 -44.02 93.85 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.216 -0.291 . . . . 0.5 110.216 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -60.51 -55.08 37.71 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 118.589 -1.244 . . . . 3.05 109.719 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -49.11 -39.59 28.95 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.544 -0.722 . . . . 3.54 112.409 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.492 HG13 HD21 ' A' ' 60' ' ' LEU . 54.1 t -56.53 -62.7 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 118.862 0.755 . . . . 0.48 109.944 170.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.54 -46.45 88.85 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.237 -1.394 . . . . 1.96 107.237 -168.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -61.55 -36.96 82.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.677 1.191 . . . . 0.56 110.342 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -22.13 42.54 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.676 0.621 . . . . 0.4 112.676 170.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.639 HG12 HG21 ' A' ' 32' ' ' VAL . 11.8 t -95.75 -44.9 13.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.624 1.17 . . . . 1.65 110.81 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -61.32 -30.77 70.71 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 119.906 -1.746 . . . . 2.36 110.69 -173.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -61.92 -14.61 36.09 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 114.126 1.158 . . . . 0.48 114.126 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 26' ' ' VAL . 1.2 mt -66.33 -109.22 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.279 0.945 . . . . 0.49 110.303 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 176.67 -49.85 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.29 1.436 . . . . 0.43 108.642 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.74 -6.65 78.33 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.457 -0.792 . . . . 0.68 113.378 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.639 HG21 HG12 ' A' ' 26' ' ' VAL . 43.1 t -75.45 143.97 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 124.72 1.208 . . . . 0.52 109.16 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -114.32 -43.81 3.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 O-C-N 123.166 0.291 . . . . 2.71 110.348 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -161.93 145.22 12.04 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.114 -1.439 . . . . 1.33 107.114 -172.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.8 m -139.13 149.06 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.755 -1.202 . . . . 2.19 107.755 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -139.16 99.03 3.65 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.016 1.389 . . . . 1.81 109.631 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 m -90.18 122.53 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 127.37 2.268 . . . . 1.46 106.717 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 tp -128.04 113.79 16.25 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.946 -1.131 . . . . 0.46 107.946 -175.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 35.2 m-85 -67.4 164.21 19.13 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 123.97 0.794 . . . . 2.78 111.686 173.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 74.97 -48.3 0.64 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 128.259 2.624 . . . . 1.36 110.134 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -24.65 67.92 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.929 0.492 . . . . 1.05 110.171 162.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 50.37 31.45 5.38 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 125.239 1.416 . . . . 3.8 111.54 -178.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 131.36 54.48 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.561 -1.2 . . . . 2.83 108.567 -172.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.6 HD23 HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -96.94 133.73 41.2 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 104.413 -2.44 . . . . 1.81 104.413 -178.301 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 t -132.62 132.85 59.87 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 O-C-N 124.26 0.975 . . . . 0.75 110.194 163.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.8 t -130.2 118.25 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 C-N-CA 125.923 1.689 . . . . 0.37 106.995 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.14 112.35 24.35 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.219 -1.4 . . . . 2.19 107.219 173.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.79 131.77 15.24 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 114.776 -1.102 . . . . 0.66 108.877 -169.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.68 56.24 2.63 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.834 -0.802 . . . . 2.28 108.834 -168.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 165.69 150.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.487 1.515 . . . . 1.93 109.391 -172.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -73.96 103.47 4.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.849 1.66 . . . . 4.36 110.817 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.85 26.31 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.808 0.843 . . . . 0.53 111.024 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -67.57 -49.63 62.25 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 120.835 -1.166 . . . . 3.78 111.225 -170.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.31 -32.12 62.21 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 124.299 0.999 . . . . 0.28 109.099 172.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -46.76 63.28 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 108.067 -1.086 . . . . 2.6 108.067 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.867 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 42.9 t -65.84 -50.26 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 CA-C-N 115.74 -0.664 . . . . 0.4 109.418 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -44.16 -54.61 5.46 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 117.907 -1.044 . . . . 2.6 112.331 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -53.37 -44.35 68.52 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.966 1.257 . . . . 0.6 110.507 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.04 88.75 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.202 0.601 . . . . 0.43 112.018 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.743 HD12 HG12 ' A' ' 56' ' ' VAL . 3.7 mt -64.49 -44.06 92.17 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.722 -0.844 . . . . 1.11 108.722 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -56.17 13.65 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.279 -0.873 . . . . 2.95 110.183 174.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -60.98 -48.58 81.17 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.177 0.436 . . . . 5.98 112.177 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.79 -36.33 58.12 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.907 0.883 . . . . 0.78 110.999 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.91 50.91 0.19 Allowed Glycine 0 C--N 1.336 0.576 0 N-CA-C 111.113 -0.795 . . . . 0.68 111.113 164.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -134.24 145.42 49.12 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 117.293 0.546 . . . . 2.11 110.037 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.4 m -94.12 123.51 37.55 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.119 -1.437 . . . . 1.46 107.119 170.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.607 ' CD2' HD13 ' A' ' 60' ' ' LEU . 3.1 pp -135.17 175.16 9.83 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.002 -0.74 . . . . 0.82 109.002 168.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -137.22 138.01 39.7 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 103.555 -2.758 . . . . 3.49 103.555 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -54.42 100.58 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 122.936 1.35 . . . . 3.15 110.807 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -82.55 174.21 11.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.528 -1.286 . . . . 2.27 107.528 -178.464 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? . . . . . 0 CA--C 1.54 0.584 0 O-C-N 120.467 -1.396 . . . . 4.09 112.897 174.861 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 108.578 -0.897 . . . . 0.93 108.578 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -97.6 124.78 42.01 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 107.356 -1.35 . . . . 4.56 107.356 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.446 ' HB3' ' HZ2' ' A' ' 8' ' ' TRP . 49.8 m-85 -129.45 142.11 50.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 118.294 -0.86 . . . . 2.43 112.181 176.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t -123.57 160.15 27.67 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.377 1.621 . . . . 2.46 115.377 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.635 ' CD1' HD13 ' A' ' 67' ' ' LEU . 5.7 m-90 -140.86 147.24 38.64 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 126.012 1.725 . . . . 2.4 109.638 172.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.02 97.44 8.59 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 107.481 -1.303 . . . . 3.06 107.481 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.866 HG21 HD23 ' A' ' 44' ' ' LEU . 3.6 t -96.46 100.12 10.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.76 0.791 . . . . 1.96 109.69 -163.379 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -100.14 92.58 5.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 105.618 -1.993 . . . . 0.91 105.618 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.56 -36.28 0.47 Allowed Glycine 0 CA--C 1.525 0.658 0 CA-C-N 114.796 -1.093 . . . . 1.01 110.597 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.47 101.66 3.01 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.087 -1.045 . . . . 2.0 112.282 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 26.1 t0 -139.21 93.62 2.71 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.192 -0.299 . . . . 3.09 110.192 162.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 168.02 145.43 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 126.268 1.827 . . . . 2.39 108.817 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 51.49 0.49 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.821 1.248 . . . . 2.43 111.798 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.34 -50.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 126.483 1.913 . . . . 1.13 107.825 -169.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.4 m -67.64 -37.19 82.1 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 107.578 -1.267 . . . . 2.37 107.578 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.73 -50.71 43.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.009 -0.542 . . . . 1.01 111.078 166.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -62.01 -42.07 98.75 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 120.862 -1.149 . . . . 3.29 110.932 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -45.95 -42.03 12.39 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.154 -0.966 . . . . 2.9 112.241 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.031 HG11 HD21 ' A' ' 44' ' ' LEU . 46.0 t -58.47 -64.55 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 118.375 0.534 . . . . 0.48 110.208 175.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -58.87 -43.69 90.92 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 106.97 -1.493 . . . . 2.28 106.97 -166.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -62.07 -42.44 99.2 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 123.97 0.908 . . . . 0.81 110.639 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.05 66.21 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.334 0.515 . . . . 0.58 112.318 172.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.439 HG12 HG11 ' A' ' 32' ' ' VAL . 67.3 t -80.87 -42.08 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.598 0.759 . . . . 1.75 109.857 173.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -66.24 -38.63 88.35 Favored 'General case' 0 N--CA 1.461 0.11 0 O-C-N 120.467 -1.396 . . . . 2.32 111.171 -173.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -57.2 -14.68 4.45 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.48 1.289 . . . . 0.63 114.48 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 mt -65.72 -108.63 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.891 0.876 . . . . 0.86 111.491 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.99 -51.05 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.615 1.166 . . . . 0.39 108.732 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.09 -5.71 87.21 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.449 -0.796 . . . . 0.78 113.661 -173.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.439 HG11 HG12 ' A' ' 26' ' ' VAL . 37.6 t -74.39 146.51 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 118.371 1.085 . . . . 0.38 108.107 174.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.8 -52.13 1.69 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 118.786 -0.626 . . . . 2.46 111.383 171.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -126.94 103.05 7.27 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 119.458 1.026 . . . . 3.36 110.243 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 p -82.75 142.51 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 121.283 -0.885 . . . . 1.38 108.753 171.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.14 107.98 8.98 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.908 1.283 . . . . 2.67 108.183 171.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -98.24 113.93 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 106.633 -1.618 . . . . 1.57 106.633 172.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.6 tp -100.85 82.31 2.39 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 105.607 -1.997 . . . . 0.57 105.607 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 3.4 t80 -69.21 77.75 0.36 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.089 -1.078 . . . . 3.04 108.089 170.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -168.94 -62.15 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 126.991 2.117 . . . . 2.23 105.971 169.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -93.29 48.85 1.34 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.029 1.332 . . . . 1.45 110.106 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 31.49 32.2 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.344 3.058 . . . . 5.48 118.086 172.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -121.57 140.68 51.92 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.047 -1.033 . . . . 1.81 111.701 -165.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.031 HD21 HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -98.47 127.28 44.34 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 104.309 -2.478 . . . . 1.41 104.309 160.335 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 p -123.41 118.13 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.708 -1.219 . . . . 2.11 107.708 155.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.44 120.66 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 C-N-CA 126.861 2.065 . . . . 0.79 109.159 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.47 110.63 23.15 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.15 -1.426 . . . . 2.23 107.15 170.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.36 132.05 39.0 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 114.9 -1.046 . . . . 0.53 109.333 -176.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.8 56.69 3.76 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.403 -0.592 . . . . 2.07 109.403 -178.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 157.53 151.82 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 127.601 2.36 . . . . 1.91 108.331 -174.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -72.3 129.53 38.64 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 108.795 -0.817 . . . . 3.34 108.795 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.456 HD13 HG23 ' A' ' 56' ' ' VAL . 1.7 pp -141.8 21.07 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 109.026 -0.731 . . . . 0.67 109.026 171.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.2 mtm-85 -69.94 -37.16 75.8 Favored 'General case' 0 CA--C 1.495 -1.135 0 C-N-CA 117.36 -1.736 . . . . 3.06 109.698 -169.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.23 -32.9 38.91 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 119.07 0.85 . . . . 0.74 109.527 173.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -50.44 18.58 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.126 -0.694 . . . . 2.5 109.126 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.616 HG11 ' CZ3' ' A' ' 8' ' ' TRP . 13.5 t -62.49 -48.14 89.67 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.51 110.033 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.9 -52.98 63.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.062 1.345 . . . . 3.02 107.611 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.8 m -46.51 -53.16 11.81 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.605 0.638 . . . . 2.15 111.69 170.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.71 96.6 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.912 0.708 . . . . 0.32 112.912 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD21 HG13 ' A' ' 22' ' ' VAL . 61.2 mt -70.02 -43.23 71.77 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.686 1.194 . . . . 1.1 108.455 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.33 -51.79 63.6 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.967 -0.753 . . . . 3.65 108.967 174.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -58.04 -49.48 76.74 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.187 0.195 . . . . 3.82 110.761 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.42 -38.2 68.66 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.036 0.934 . . . . 0.43 110.899 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.31 52.67 0.14 Allowed Glycine 0 C--N 1.335 0.507 0 N-CA-C 110.432 -1.067 . . . . 0.68 110.432 169.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -128.18 173.52 10.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.711 0.804 . . . . 2.05 109.419 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.7 p -130.81 135.01 47.34 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.091 -1.448 . . . . 2.13 107.091 169.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.635 HD13 ' CD1' ' A' ' 8' ' ' TRP . 2.5 pp -156.23 170.16 22.89 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 126.918 2.087 . . . . 0.87 107.919 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -150.17 99.88 2.85 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.249 1.419 . . . . 3.61 107.523 -172.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . 0.341 1.3 p-10 -27.64 103.41 0.02 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 114.505 1.298 . . . . 2.72 114.505 -167.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -80.79 164.47 22.7 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.377 -1.283 . . . . 3.88 108.258 -173.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.44 -0.946 0 CA-C-N 113.297 -1.774 . . . . 5.16 109.574 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 m . . . . . 0 CA--C 1.512 -0.505 0 N-CA-C 109.924 -0.398 . . . . 0.92 109.924 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -95.2 124.69 39.38 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 106.954 -1.499 . . . . 3.28 106.954 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.636 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 12.1 m-85 -105.78 140.99 37.97 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 126.44 1.896 . . . . 1.85 113.507 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.45 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 9.2 m -115.95 145.19 43.13 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.196 0.998 . . . . 2.04 111.088 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.747 ' CZ2' HG11 ' A' ' 56' ' ' VAL . 1.3 m-90 -132.41 164.97 25.35 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.579 1.152 . . . . 1.1 109.52 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.57 110.3 16.28 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 106.68 -1.6 . . . . 2.61 106.68 174.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.3 t -108.07 158.44 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.872 -1.159 . . . . 1.0 107.872 -174.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.8 112.46 7.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 105.423 -2.066 . . . . 1.4 105.423 167.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.31 -13.79 3.01 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-O 119.005 -0.886 . . . . 1.46 113.022 173.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -73.12 35.71 0.08 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.549 1.674 . . . . 2.4 113.319 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.439 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.1 m-20 -99.95 66.8 1.39 Allowed 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 121.499 -0.75 . . . . 5.19 109.224 -152.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -158.34 -75.32 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.71 0.633 . . . . 2.59 112.71 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 157.51 -65.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 127.503 2.321 . . . . 2.08 107.882 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.54 -34.99 62.76 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.936 0.874 . . . . 0.78 110.989 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.4 m -71.48 -30.41 65.95 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.587 0.755 . . . . 1.99 109.883 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.82 92.34 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.222 -0.658 . . . . 0.59 109.222 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 98.7 mtt180 -59.74 -52.94 63.34 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 119.609 -0.837 . . . . 3.11 109.768 170.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -48.83 -39.69 26.45 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.088 -1.007 . . . . 4.08 112.311 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.4 -57.5 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 118.802 0.728 . . . . 0.62 111.87 172.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.498 ' O ' HG22 ' A' ' 26' ' ' VAL . 14.4 pt-20 -63.25 -43.94 96.59 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 108.096 -1.076 . . . . 1.82 108.096 -174.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -65.47 -31.97 73.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 121.169 -0.957 . . . . 0.6 111.055 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.33 -25.15 32.98 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.678 -0.677 . . . . 0.59 111.922 169.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.611 HG12 HG13 ' A' ' 56' ' ' VAL . 7.8 m -103.29 -39.15 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 118.905 0.775 . . . . 1.78 113.054 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -58.73 -27.28 64.76 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.56 -0.713 . . . . 3.71 110.598 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -67.09 -13.03 61.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.618 0.969 . . . . 0.6 113.618 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -72.23 -115.74 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.176 0.99 . . . . 0.62 109.6 -176.228 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.1 -48.92 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 124.441 1.096 . . . . 0.29 108.565 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.52 -14.71 82.18 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 115.543 -0.753 . . . . 0.44 112.992 -175.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.77 130.23 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.871 0.868 . . . . 0.44 109.902 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -98.57 -55.65 2.68 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.138 0.975 . . . . 2.23 108.839 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -153.72 121.45 5.96 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.928 0.491 . . . . 1.8 110.235 -168.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 p -105.66 141.77 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 126.258 1.823 . . . . 1.44 110.615 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -131.62 94.06 3.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.476 1.511 . . . . 1.75 109.697 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 t -90.99 101.13 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 125.526 1.53 . . . . 2.2 108.192 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 tp -97.19 74.81 2.55 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.268 -1.753 . . . . 0.59 106.268 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.7 t80 -61.1 102.44 0.21 Allowed 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.68 -1.6 . . . . 3.44 106.68 167.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 149.79 -37.35 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.282 2.633 . . . . 2.0 109.254 -171.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -118.49 19.25 13.39 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.01 0.524 . . . . 1.21 110.502 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 39.32 36.96 0.23 Allowed 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 127.75 2.42 . . . . 3.46 114.292 177.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.34 128.12 42.47 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.735 -1.209 . . . . 1.3 107.735 -177.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.99 141.27 31.96 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.405 -1.702 . . . . 1.82 106.405 174.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -122.57 142.87 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 118.578 0.626 . . . . 0.73 111.417 161.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.27 117.16 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 106.94 -1.504 . . . . 0.38 106.94 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.57 120.48 38.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 106.974 -1.491 . . . . 2.66 106.974 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.72 149.39 37.09 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.587 1.155 . . . . 0.55 111.36 -169.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -95.9 58.31 1.9 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.975 0.91 . . . . 2.23 110.149 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 161.45 157.65 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 127.161 2.184 . . . . 1.67 107.894 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -78.49 118.76 20.93 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 120.001 1.273 . . . . 3.39 108.892 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 56' ' ' VAL . 2.3 pp -139.18 26.55 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 123.011 0.524 . . . . 0.61 109.743 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -62.02 -48.02 82.15 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 121.563 -0.71 . . . . 2.81 111.006 -173.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.44 -30.54 60.69 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 123.885 0.74 . . . . 0.41 110.042 174.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -78.83 -40.9 31.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.007 -0.738 . . . . 2.11 109.007 -175.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.747 HG11 ' CZ2' ' A' ' 8' ' ' TRP . 78.0 t -64.7 -47.99 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 109.397 -0.594 . . . . 0.49 109.397 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -46.0 -62.19 1.43 Allowed 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 118.162 -0.923 . . . . 2.23 109.965 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -48.1 -46.24 33.68 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.652 0.66 . . . . 0.53 110.086 -175.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -49.32 78.21 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.978 0.732 . . . . 0.33 112.978 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.629 HD12 HG12 ' A' ' 56' ' ' VAL . 9.3 mt -67.6 -44.66 77.55 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.705 0.802 . . . . 1.02 110.246 -176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -49.87 70.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.492 -0.776 . . . . 2.23 109.451 174.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -62.09 -41.55 98.31 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.329 -0.232 . . . . 3.84 111.357 176.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.95 76.29 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.628 0.771 . . . . 0.52 110.587 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.31 54.89 0.19 Allowed Glycine 0 C--N 1.336 0.555 0 C-N-CA 124.224 0.916 . . . . 0.56 110.931 168.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -136.95 164.01 29.35 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.738 -0.838 . . . . 1.81 108.738 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.4 m -109.22 124.83 51.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.496 -1.668 . . . . 1.52 106.496 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.545 HD12 ' C ' ' A' ' 67' ' ' LEU . 3.4 pp -135.66 176.96 8.2 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.18 -1.045 . . . . 0.79 108.18 168.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -136.15 129.04 31.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.758 -2.312 . . . . 4.39 104.758 168.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.84 112.24 0.74 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 123.936 0.894 . . . . 4.18 109.106 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.437 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 1.4 tm-20 -83.95 -174.73 5.45 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.829 -1.078 . . . . 2.58 109.492 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 122.041 0.925 . . . . 4.41 109.248 171.434 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 121.473 0.654 . . . . 1.15 109.269 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -99.37 144.29 28.65 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.942 1.297 . . . . 6.68 107.991 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.647 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 29.8 m-85 -132.56 125.47 30.59 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.65 1.18 . . . . 1.99 108.75 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.404 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 70.9 m -99.89 156.78 16.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.091 0.956 . . . . 1.96 109.289 172.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.647 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 5.6 m-90 -140.04 160.82 39.07 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.535 1.534 . . . . 1.11 108.49 167.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -114.7 123.38 49.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 105.954 -1.869 . . . . 2.3 105.954 167.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 t -109.04 174.72 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 125.379 1.472 . . . . 1.23 109.562 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.31 109.45 4.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.315 1.046 . . . . 0.99 109.152 169.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.3 -37.44 1.39 Allowed Glycine 0 CA--C 1.531 1.052 0 CA-C-N 119.271 0.941 . . . . 0.98 113.24 167.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ptm -69.3 86.85 0.42 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.232 1.013 . . . . 2.16 111.253 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -136.7 71.79 1.42 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.463 1.028 . . . . 2.76 111.781 172.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 m -147.52 -94.99 0.08 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.959 0.904 . . . . 2.35 110.754 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.8 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.342 0.264 0 C-N-CA 124.988 1.315 . . . . 2.03 109.41 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -27.29 68.03 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.785 -0.572 . . . . 0.92 111.669 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -75.48 -38.0 59.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.858 0.863 . . . . 2.86 109.19 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.611 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.33 -38.79 84.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.165 -0.68 . . . . 0.48 109.165 174.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 53.9 mtt85 -58.37 -51.14 71.07 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 118.999 -1.08 . . . . 2.72 111.097 171.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -52.84 -40.06 63.05 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.304 -1.498 . . . . 2.89 112.751 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.424 ' CG1' HD21 ' A' ' 44' ' ' LEU . 79.7 t -57.76 -55.69 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.728 0.811 . . . . 0.7 111.34 173.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 26' ' ' VAL . 16.6 pt-20 -67.44 -45.89 74.71 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.403 -0.962 . . . . 1.88 108.403 -174.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -64.24 -31.21 72.32 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.777 -1.202 . . . . 0.61 110.558 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.54 -24.27 60.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.272 -0.87 . . . . 0.49 112.978 169.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.477 HG12 HG13 ' A' ' 56' ' ' VAL . 33.6 m -99.21 -39.48 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 119.655 1.116 . . . . 1.8 111.7 174.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -60.27 -25.49 65.75 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.353 -0.842 . . . . 3.66 110.72 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -71.37 -13.58 61.91 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.045 0.938 . . . . 0.54 113.286 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -122.04 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.956 -0.757 . . . . 0.58 108.956 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.98 -47.85 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 108.584 -0.895 . . . . 0.31 108.584 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.61 -13.92 83.0 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 115.517 -0.765 . . . . 0.41 112.836 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.3 t -57.22 136.29 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.567 0.747 . . . . 0.41 110.554 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -106.03 -53.28 2.66 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 106.618 -1.623 . . . . 2.41 106.618 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.69 170.62 19.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.876 -0.786 . . . . 2.16 108.876 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.77 142.91 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 124.596 1.158 . . . . 1.56 109.641 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -132.87 94.47 3.39 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.844 1.658 . . . . 1.84 108.971 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.425 HG12 HD21 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -91.37 119.75 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 106.497 -1.668 . . . . 1.73 106.497 168.591 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.9 tp -121.0 114.21 21.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.632 -0.877 . . . . 0.54 108.632 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 25.3 m-85 -60.09 160.39 8.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.188 0.995 . . . . 2.57 111.858 172.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.61 -45.2 0.61 Allowed 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.744 2.018 . . . . 1.53 112.012 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 m -68.51 -27.19 65.9 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.901 -0.777 . . . . 1.29 108.901 165.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.93 42.02 31.83 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.494 1.118 . . . . 4.42 108.84 -176.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.7 134.03 51.27 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 104.274 -2.491 . . . . 1.45 104.274 -174.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -105.15 135.61 46.18 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 125.184 1.553 . . . . 1.24 108.683 164.58 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -123.68 142.9 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 O-C-N 124.384 1.053 . . . . 0.66 108.742 158.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.45 HG21 HG11 ' A' ' 26' ' ' VAL . 60.6 t -135.4 124.85 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 N-CA-C 105.556 -2.016 . . . . 0.4 105.556 175.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.26 121.95 44.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 105.555 -2.017 . . . . 2.4 105.555 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.74 139.03 29.23 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.614 0.571 . . . . 0.54 111.537 -171.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -80.59 58.51 3.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.835 0.854 . . . . 2.32 109.589 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 158.91 154.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 127.486 2.314 . . . . 1.75 109.531 175.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -71.9 117.43 13.49 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.867 1.267 . . . . 4.14 109.392 171.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 pp -144.2 24.15 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.938 -0.476 . . . . 0.67 110.378 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -60.32 -45.69 92.52 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 121.422 -0.799 . . . . 2.49 111.389 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.78 65.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.697 0.623 . . . . 0.28 110.074 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -79.28 -38.61 34.97 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.617 -0.512 . . . . 2.24 109.617 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.625 HG11 ' CZ2' ' A' ' 8' ' ' TRP . 91.4 t -64.2 -53.69 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 119.171 -1.012 . . . . 0.56 108.406 171.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -44.45 -58.16 3.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 118.013 -0.994 . . . . 2.43 111.508 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -47.0 -45.83 21.33 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.028 0.831 . . . . 0.54 110.835 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.21 73.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.1 -0.375 . . . . 0.26 111.988 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.86 -45.35 94.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.937 1.295 . . . . 2.47 110.423 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -53.38 51.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.328 -0.851 . . . . 2.44 109.182 174.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -62.12 -41.43 98.24 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.633 0.235 . . . . 4.08 111.633 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.93 -30.97 69.41 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 124.46 1.104 . . . . 0.6 110.611 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.28 45.02 0.5 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 111.173 -0.771 . . . . 0.51 111.173 164.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -137.29 145.69 43.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.695 -1.224 . . . . 2.27 107.695 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 p -87.52 134.39 33.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.097 -1.816 . . . . 1.5 106.097 166.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.6 pp -128.86 175.56 8.54 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.076 -0.713 . . . . 0.95 109.076 166.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -127.53 131.78 50.02 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 105.37 -2.085 . . . . 3.03 105.37 167.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -69.87 135.1 49.18 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.376 -1.342 . . . . 2.37 107.376 174.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.32 169.31 9.44 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.292 -1.776 . . . . 3.0 110.41 -175.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.285 0 C-N-CA 124.312 1.045 . . . . 4.11 108.718 168.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.446 0.641 . . . . 1.44 109.999 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.55 125.7 51.34 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 113.764 -1.562 . . . . 3.87 108.104 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.588 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.8 m-85 -102.91 133.89 47.25 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 128.191 2.596 . . . . 2.4 111.05 171.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.433 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 51.8 p -116.04 154.6 29.61 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.731 0.812 . . . . 2.14 111.424 174.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.784 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -140.21 157.88 44.9 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.879 0.871 . . . . 1.09 109.577 170.567 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 3.0 mppt? -106.78 119.57 39.68 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 105.715 -1.957 . . . . 2.16 105.715 166.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 t -107.57 177.7 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 125.236 1.414 . . . . 1.58 107.827 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.65 117.26 4.68 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.388 -2.078 . . . . 1.18 105.388 163.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.55 -10.68 4.33 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 115.554 0.982 . . . . 1.0 115.554 167.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -75.29 57.95 0.92 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.575 1.687 . . . . 2.14 113.208 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.426 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 12.7 m-20 -90.47 69.38 6.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.765 -0.585 . . . . 4.63 112.447 -171.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.38 142.56 0.34 Allowed 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 121.61 -0.681 . . . . 2.58 110.944 166.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.42 -49.43 74.55 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.425 0.631 . . . . 2.17 110.562 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.61 -15.39 51.28 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.806 0.669 . . . . 1.91 112.806 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -97.64 -29.56 13.34 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.17 0.988 . . . . 2.7 110.778 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.94 -39.99 63.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.308 -0.627 . . . . 0.52 109.308 167.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HA ' ' HG2' ' A' ' 23' ' ' GLU 0.255 1.7 mpt_? -57.36 -45.45 84.37 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.058 -1.057 . . . . 3.09 112.674 170.03 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -40.74 73.31 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.084 -1.635 . . . . 4.23 111.064 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.1 t -59.15 -57.65 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.359 0.664 . . . . 0.73 110.647 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 18.4 pt-20 -64.59 -42.79 95.35 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 108.386 -0.968 . . . . 2.07 108.386 -173.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -67.47 -35.28 78.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.55 0.74 . . . . 0.65 109.666 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.69 -19.29 15.78 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.507 0.558 . . . . 0.45 112.507 169.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.597 HG22 HG13 ' A' ' 56' ' ' VAL . 45.6 t -97.73 -43.37 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.348 1.059 . . . . 1.76 110.276 172.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 mtm-85 -60.5 -25.01 65.76 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 120.125 -1.61 . . . . 2.88 111.702 -176.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.99 -12.57 55.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.938 0.895 . . . . 0.57 113.2 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -118.28 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.164 0.986 . . . . 0.76 109.074 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.78 -48.58 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 124.388 1.075 . . . . 0.38 108.771 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.11 -22.76 78.71 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.354 -0.839 . . . . 0.55 112.837 -176.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.552 HG21 HG12 ' A' ' 26' ' ' VAL . 53.4 t -56.09 140.13 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 122.02 -0.694 . . . . 0.45 110.774 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -108.96 -46.13 3.67 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.624 -0.51 . . . . 2.46 109.624 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -160.49 149.26 16.86 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 106.403 -1.703 . . . . 1.36 106.403 -172.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.6 m -142.46 150.61 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 O-C-N 121.422 -0.799 . . . . 2.23 109.324 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -142.81 98.16 3.23 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 122.523 1.154 . . . . 1.77 110.079 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -91.0 122.46 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 127.286 2.235 . . . . 1.54 105.947 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 tp -110.2 77.08 1.02 Allowed 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 106.236 -1.764 . . . . 0.6 106.236 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.0 t80 -63.94 89.49 0.05 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.203 -1.406 . . . . 3.48 107.203 168.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.03 -41.86 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 129.179 2.992 . . . . 1.99 107.932 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -108.72 16.59 22.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.774 0.829 . . . . 1.25 110.971 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 43.93 38.89 2.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.134 1.774 . . . . 4.17 113.06 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.34 127.95 36.62 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.068 -1.086 . . . . 1.54 108.068 -171.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -105.21 140.26 38.62 Favored 'General case' 0 N--CA 1.423 -1.819 0 C-N-CA 124.694 1.198 . . . . 1.09 108.77 178.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.47 140.19 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 O-C-N 124.602 1.188 . . . . 0.74 110.668 167.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.4 t -129.47 130.12 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 C-N-CA 126.079 1.752 . . . . 0.4 106.524 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -109.51 115.13 29.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.584 -1.635 . . . . 2.73 106.584 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' HB2' ' HA ' ' A' ' 32' ' ' VAL . . . -153.1 150.14 28.82 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.587 0.755 . . . . 0.64 109.704 -172.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.99 55.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.79 0.805 . . . . 2.44 108.87 -167.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -169.58 -35.08 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.846 1.054 . . . . 2.79 113.846 -177.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 t0 79.85 124.48 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 127.786 2.434 . . . . 3.51 109.086 -170.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 56' ' ' VAL . 1.5 pp -146.44 34.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 125.2 1.4 . . . . 0.64 107.742 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.4 mtm-85 -61.7 -45.54 93.55 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.321 -0.862 . . . . 2.45 111.466 -171.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.59 -33.45 68.2 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 123.567 0.542 . . . . 0.29 110.175 175.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -46.57 52.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.936 -0.764 . . . . 3.19 108.936 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.784 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.0 t -64.72 -47.77 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 N-CA-C 108.46 -0.941 . . . . 0.36 108.46 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' HA ' HD21 ' A' ' 67' ' ' LEU . 78.9 tt0 -46.31 -61.51 1.76 Allowed 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 117.349 -1.31 . . . . 2.4 110.004 170.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.5 t -45.97 -46.72 16.5 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.95 1.25 . . . . 0.59 110.736 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.45 77.57 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.579 0.585 . . . . 0.29 112.579 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.403 HD12 HG12 ' A' ' 56' ' ' VAL . 81.7 mt -69.08 -40.56 78.38 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.277 1.031 . . . . 1.03 111.677 -176.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -49.86 -51.4 40.57 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.702 1.201 . . . . 2.96 107.843 169.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -64.27 -43.28 95.31 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 122.208 -0.308 . . . . 4.29 111.71 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.34 -35.53 62.83 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.797 0.839 . . . . 0.75 110.643 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.21 44.59 0.61 Allowed Glycine 0 C--N 1.334 0.433 0 N-CA-C 111.071 -0.812 . . . . 0.86 111.071 165.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.67 136.79 44.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.836 -1.172 . . . . 2.48 107.836 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.7 m -83.26 118.38 23.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.6 -1.259 . . . . 1.86 107.6 173.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.505 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.6 pp -109.83 175.25 5.51 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.464 0.477 . . . . 0.86 111.346 169.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -128.68 135.83 49.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 105.342 -2.096 . . . . 3.42 105.342 163.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -72.81 120.24 18.16 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 106.863 -1.532 . . . . 2.97 106.863 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.482 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 2.5 mm-40 -88.8 177.68 6.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 122.326 1.06 . . . . 2.85 111.825 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? . . . . . 0 N--CA 1.445 -0.686 0 CA-C-N 113.788 -1.551 . . . . 4.37 110.966 165.106 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 121.609 0.718 . . . . 1.64 109.848 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -141.3 166.87 23.58 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.0 -1.0 . . . . 4.14 110.11 170.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.576 ' HB3' ' HZ2' ' A' ' 8' ' ' TRP . 54.4 m-85 -143.18 152.26 41.58 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 127.001 2.12 . . . . 1.88 111.089 -170.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -114.95 161.66 18.0 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.125 1.528 . . . . 2.39 115.125 174.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.611 ' HZ3' HG11 ' A' ' 56' ' ' VAL . 7.5 m-90 -140.69 151.67 44.72 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.683 1.993 . . . . 2.51 109.834 169.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.16 101.26 11.0 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.377 1.471 . . . . 2.08 107.877 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -101.1 117.63 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 118.79 0.723 . . . . 1.33 109.383 -163.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -103.48 95.61 6.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 107.389 -1.337 . . . . 1.03 107.389 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.12 -38.39 0.97 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.843 -0.503 . . . . 0.79 111.843 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -69.46 101.89 1.67 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 117.492 0.646 . . . . 2.2 111.05 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -152.93 73.02 0.98 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.059 0.944 . . . . 3.18 110.301 162.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -171.43 146.18 2.22 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.33 -0.856 . . . . 2.59 112.651 172.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.78 65.38 0.71 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.346 1.458 . . . . 2.9 112.219 -175.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.81 -52.84 0.01 OUTLIER 'General case' 0 C--O 1.234 0.271 0 C-N-CA 127.463 2.305 . . . . 0.87 106.881 -173.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.3 m -63.83 -38.18 90.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.963 -1.125 . . . . 1.89 107.963 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.799 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -50.5 -47.47 57.31 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 123.505 0.503 . . . . 0.72 110.914 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.403 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -68.7 -47.27 66.82 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 119.446 -0.902 . . . . 2.59 109.38 178.757 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -48.24 -42.41 30.33 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.855 0.752 . . . . 3.06 112.034 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.456 ' CG1' HD21 ' A' ' 44' ' ' LEU . 55.8 t -57.04 -61.58 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 123.659 0.783 . . . . 0.57 110.331 174.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.2 pt-20 -61.69 -44.79 96.26 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.495 -1.298 . . . . 2.14 107.495 -171.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -60.92 -39.4 89.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.183 0.993 . . . . 0.66 109.733 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.18 -20.72 43.29 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.907 0.706 . . . . 0.39 112.907 172.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.6 t -95.61 -45.77 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 125.233 1.413 . . . . 1.61 108.949 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -61.56 -30.17 70.49 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 119.732 -1.855 . . . . 2.32 111.088 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -60.86 -14.38 21.66 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.5 0.926 . . . . 0.97 113.5 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -118.63 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.641 0.655 . . . . 0.59 110.11 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.46 -49.29 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 123.911 0.884 . . . . 0.4 109.285 -174.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.84 -15.48 75.17 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 115.801 -0.636 . . . . 0.47 112.742 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -51.68 136.04 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.293 0.637 . . . . 0.62 109.47 164.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -117.43 -45.99 2.7 Favored 'General case' 0 N--CA 1.458 -0.045 0 C-N-CA 123.179 0.592 . . . . 3.26 109.606 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -139.02 162.83 33.96 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.625 1.17 . . . . 1.63 107.944 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -154.46 132.23 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 108.36 -0.978 . . . . 1.48 108.36 -173.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.64 105.2 8.31 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.989 1.316 . . . . 4.69 109.31 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.6 118.57 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 C-N-CA 126.453 1.901 . . . . 1.57 106.211 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.9 tp -124.83 110.38 14.22 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.053 -1.091 . . . . 0.43 108.053 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.799 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 23.2 m-85 -68.02 162.88 23.54 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.51 0.671 . . . . 3.0 112.339 175.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 75.97 -41.38 0.43 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.565 2.746 . . . . 1.28 110.734 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.8 m -75.27 -17.77 60.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.837 0.855 . . . . 0.97 110.588 169.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 49.26 39.04 14.93 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.996 1.318 . . . . 3.67 112.723 -177.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -105.9 137.26 44.1 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.018 -1.105 . . . . 1.61 108.018 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.61 HD12 ' HE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -97.8 132.81 43.08 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 104.703 -2.332 . . . . 1.44 104.703 160.722 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 p -131.48 134.2 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 119.412 1.005 . . . . 2.07 108.928 154.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 t -129.46 121.87 54.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 107.009 -1.478 . . . . 0.64 107.009 -166.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.27 103.45 13.48 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.673 -1.603 . . . . 2.72 106.673 -175.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -141.6 130.31 22.83 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.77 0.828 . . . . 0.77 109.157 -169.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -86.4 51.54 2.25 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.417 -0.216 . . . . 2.54 110.417 -171.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 168.25 147.17 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.023 -1.103 . . . . 2.63 108.023 -167.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -77.68 113.97 16.07 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.967 -0.753 . . . . 3.76 108.967 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.433 HD13 HG23 ' A' ' 56' ' ' VAL . 1.6 pp -141.22 23.06 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 123.574 0.75 . . . . 0.59 110.891 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' HD2' ' CZ2' ' A' ' 8' ' ' TRP . 13.2 mtm180 -72.34 -27.81 62.65 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 120.964 -1.085 . . . . 2.99 110.63 -172.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.9 -37.19 71.07 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.564 -0.854 . . . . 0.69 109.244 168.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.9 -47.18 26.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.185 -0.672 . . . . 2.75 109.185 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.611 HG11 ' HZ3' ' A' ' 8' ' ' TRP . 40.6 t -62.55 -50.27 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.991 -0.744 . . . . 0.38 108.991 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' HA ' HD11 ' A' ' 67' ' ' LEU 0.28 31.8 tt0 -60.88 -50.61 72.72 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.783 -1.103 . . . . 3.33 109.292 -179.246 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -47.18 -52.18 16.36 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.454 1.025 . . . . 0.57 111.165 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.75 79.43 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.545 0.738 . . . . 0.25 111.818 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.6 mt -64.3 -45.81 86.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.514 1.126 . . . . 1.07 109.806 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -50.6 65.21 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.221 -0.659 . . . . 2.14 109.221 175.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.88 -48.8 80.16 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.792 -0.186 . . . . 3.68 110.799 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.92 69.9 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 124.358 1.063 . . . . 0.52 111.102 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.1 52.85 0.09 OUTLIER Glycine 0 C--N 1.335 0.51 0 N-CA-C 110.976 -0.85 . . . . 0.95 110.976 170.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -132.86 168.69 17.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.735 0.814 . . . . 2.47 109.379 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -131.21 128.48 40.02 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.511 -1.292 . . . . 1.53 107.511 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.496 HD12 ' CD1' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -145.72 174.97 10.74 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.478 1.911 . . . . 1.74 107.981 -179.648 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -148.76 73.75 1.24 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.313 1.045 . . . . 6.62 108.714 -172.421 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 31.43 54.43 0.24 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.814 1.783 . . . . 3.73 115.814 159.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -72.03 168.02 18.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 120.735 -1.228 . . . . 3.06 110.967 -161.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.514 0 C-N-CA 124.304 1.041 . . . . 4.11 112.973 167.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.513 -0.444 0 N-CA-C 108.443 -0.947 . . . . 0.85 108.443 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -98.37 141.24 31.49 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 113.615 -1.629 . . . . 3.48 108.896 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.586 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 9.5 m-85 -125.13 119.28 28.14 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 127.108 2.163 . . . . 2.34 110.065 174.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.424 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 79.7 p -99.62 148.11 24.66 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.98 0.809 . . . . 2.07 110.731 174.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.834 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -136.21 159.16 42.58 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.123 1.369 . . . . 1.1 108.532 164.559 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -110.46 110.64 21.46 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.353 -2.091 . . . . 2.55 105.353 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.504 HG21 HD23 ' A' ' 44' ' ' LEU . 1.6 t -99.77 170.8 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 119.089 0.858 . . . . 1.09 109.284 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.79 113.19 7.28 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.314 -0.995 . . . . 0.89 108.314 169.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.5 -23.78 3.41 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.716 1.627 . . . . 0.96 111.891 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -79.35 82.81 5.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 121.517 -0.99 . . . . 2.24 110.226 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -146.64 61.2 1.21 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.424 0.63 . . . . 3.68 111.447 168.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 m -136.53 -96.66 0.22 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.753 0.821 . . . . 2.32 111.435 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.36 -62.23 0.03 OUTLIER 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.028 0.931 . . . . 2.01 109.276 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.95 -29.54 70.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.628 0.771 . . . . 0.92 111.214 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.8 t -72.36 -45.81 58.21 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.546 -0.909 . . . . 2.86 108.546 -175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -54.86 -45.55 74.58 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.448 -0.342 . . . . 0.61 110.606 176.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 29.6 mtt85 -63.37 -51.32 66.37 Favored 'General case' 0 N--CA 1.432 -1.368 0 C-N-CA 118.754 -1.178 . . . . 4.25 110.0 175.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.94 -46.27 10.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.735 1.152 . . . . 3.29 112.121 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.123 HG11 HD21 ' A' ' 44' ' ' LEU . 56.1 t -57.54 -63.39 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-O 119.294 -0.384 . . . . 0.58 110.414 174.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 12.3 pt-20 -60.33 -36.01 76.98 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 118.727 -1.189 . . . . 2.06 108.111 -170.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -63.12 -40.1 96.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.443 1.497 . . . . 0.74 110.591 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -19.85 27.88 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.899 0.88 . . . . 0.42 112.263 170.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.589 HG22 HG13 ' A' ' 56' ' ' VAL . 60.1 t -98.63 -46.64 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 125.056 1.343 . . . . 1.76 110.389 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -61.55 -30.91 70.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 120.406 -1.433 . . . . 2.64 109.674 -175.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -63.94 -15.35 58.95 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 117.722 -1.132 . . . . 0.49 113.57 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -102.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.457 1.026 . . . . 0.52 110.014 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 173.68 -50.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.439 1.496 . . . . 0.46 108.564 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.71 -24.76 73.75 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.34 -0.846 . . . . 0.67 112.741 -171.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.476 HG11 HG12 ' A' ' 26' ' ' VAL . 54.0 t -51.41 137.6 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.694 0.798 . . . . 0.36 109.889 174.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -99.92 -51.68 3.64 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.497 -1.297 . . . . 2.21 107.497 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -149.1 163.68 36.88 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.29 -1.004 . . . . 1.58 108.29 -170.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -155.44 134.18 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 107.805 -1.183 . . . . 1.57 107.805 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -125.82 102.28 7.23 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.268 1.427 . . . . 2.59 107.738 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 m -94.51 134.43 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 126.932 2.093 . . . . 1.62 105.726 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.7 tp -128.26 118.38 23.19 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.866 0.466 . . . . 0.52 109.965 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 17.7 m-85 -60.7 163.77 5.26 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 125.827 1.651 . . . . 2.5 112.701 171.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.29 -52.4 0.35 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.488 2.315 . . . . 1.4 112.393 -174.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 m -67.56 -27.49 66.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.468 1.107 . . . . 1.1 110.552 173.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.61 38.1 29.74 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.944 1.297 . . . . 4.22 110.264 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.03 129.32 36.36 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.159 -1.052 . . . . 1.39 108.159 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.123 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -102.45 120.09 39.93 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 105.754 -1.943 . . . . 1.64 105.754 167.357 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.8 t -125.93 110.91 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 109.167 -0.679 . . . . 0.79 109.167 168.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.0 t -103.21 135.03 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 C-N-CA 123.722 0.809 . . . . 0.41 109.102 173.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.36 111.69 18.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.822 1.249 . . . . 2.25 108.093 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.578 ' HB3' ' HE2' ' A' ' 6' ' ' TYR . . . -133.38 -179.58 5.6 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.328 1.451 . . . . 1.24 109.585 -175.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.06 51.56 2.03 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 124.155 0.982 . . . . 2.16 109.008 -176.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 10.7 p-10 -175.23 -34.25 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 114.273 1.212 . . . . 2.8 114.273 -167.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 73.43 115.1 0.06 Allowed 'General case' 0 C--N 1.34 0.154 0 C-N-CA 126.608 1.963 . . . . 3.68 111.627 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -147.02 33.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.147 -1.057 . . . . 0.58 108.147 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -61.13 -46.17 91.69 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 121.667 -0.646 . . . . 2.67 110.864 -172.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.01 -32.01 69.33 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 123.776 0.673 . . . . 0.3 110.649 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.74 -40.91 54.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.611 -0.68 . . . . 2.72 109.207 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.834 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.9 t -66.56 -50.24 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 N-CA-C 108.379 -0.971 . . . . 0.41 108.379 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.486 ' HA ' HD21 ' A' ' 67' ' ' LEU . 7.4 tm-20 -44.05 -63.17 0.92 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.127 -1.416 . . . . 3.27 110.868 168.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 t -48.38 -43.52 33.88 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.44 1.473 . . . . 0.59 110.813 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.84 63.44 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.724 0.638 . . . . 0.34 112.724 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.658 HD21 HG13 ' A' ' 22' ' ' VAL . 32.8 mt -62.27 -43.6 98.45 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.487 1.115 . . . . 1.04 109.939 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -56.84 9.29 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.628 1.171 . . . . 2.89 108.939 172.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -61.21 -45.62 93.8 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 121.286 -0.166 . . . . 3.98 111.122 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.61 -32.64 67.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.032 0.933 . . . . 0.46 110.728 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.69 38.69 0.57 Allowed Glycine 0 CA--C 1.522 0.491 0 C-N-CA 124.321 0.962 . . . . 0.68 111.594 164.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -128.18 120.67 27.75 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.739 0.769 . . . . 2.21 109.443 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -81.71 114.95 20.71 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.542 -1.281 . . . . 1.45 107.542 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.594 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.2 pp -112.73 -178.13 3.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.168 0.987 . . . . 0.85 110.455 176.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -134.43 119.02 18.05 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.109 -1.441 . . . . 2.94 107.109 166.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.42 109.62 0.72 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.697 1.599 . . . . 4.2 109.193 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.25 177.53 5.82 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 122.262 1.03 . . . . 2.92 111.329 -173.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 . . . . . 0 N--CA 1.448 -0.539 0 C-N-CA 125.134 1.374 . . . . 3.55 110.993 164.323 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.517 -0.321 0 N-CA-C 108.883 -0.784 . . . . 0.91 108.883 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -106.57 135.99 47.14 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 125.189 1.556 . . . . 3.34 108.514 172.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.607 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 30.3 m-85 -122.55 131.85 54.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.449 1.1 . . . . 2.5 112.174 172.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 m -108.03 147.38 31.22 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.212 0.945 . . . . 1.99 110.929 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.636 ' CZ2' HG11 ' A' ' 56' ' ' VAL . 1.2 m-90 -137.51 159.87 40.75 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.883 1.673 . . . . 1.1 108.881 168.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HD2' ' HG2' ' A' ' 70' ' ' GLU . 6.1 ptmt -122.44 123.27 40.93 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 126.633 1.973 . . . . 1.89 107.558 174.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.473 HG13 ' HB3' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -120.09 -176.65 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.723 1.609 . . . . 1.34 111.643 -177.04 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -150.5 123.58 8.81 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.151 1.78 . . . . 1.48 107.467 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.25 -20.21 4.24 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.685 1.612 . . . . 0.84 113.802 171.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.42 82.92 3.74 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 124.172 0.989 . . . . 5.11 111.35 -175.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -139.12 85.91 2.1 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.071 -0.714 . . . . 3.2 109.071 160.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -154.43 -93.92 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.693 -0.63 . . . . 2.6 110.484 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.51 -59.36 0.03 OUTLIER 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.85 0.86 . . . . 1.97 108.977 174.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.12 -33.52 67.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.089 0.956 . . . . 0.76 111.795 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 m -69.13 -34.06 74.44 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.503 -0.925 . . . . 1.68 108.503 -175.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.28 90.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.486 -0.485 . . . . 0.63 110.197 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -61.38 -50.98 70.68 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 118.893 -1.123 . . . . 3.83 110.17 174.371 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -44.61 -47.0 10.37 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.773 1.17 . . . . 3.12 112.021 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.39 -60.85 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 123.571 0.748 . . . . 0.48 110.907 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 15.2 pt-20 -63.43 -37.24 86.53 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 118.62 -1.232 . . . . 1.98 108.433 -172.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -64.48 -36.56 84.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.74 1.216 . . . . 0.64 110.503 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -21.38 24.25 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.878 0.471 . . . . 0.46 112.234 169.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.576 HG22 HG13 ' A' ' 56' ' ' VAL . 45.8 t -103.91 -41.33 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.931 1.292 . . . . 1.84 110.857 -178.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -63.54 -32.63 74.15 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 119.932 -1.73 . . . . 2.48 109.566 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -61.71 -13.07 19.69 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.357 1.243 . . . . 0.53 114.357 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.61 -110.36 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.544 1.066 . . . . 0.58 109.37 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 179.85 -48.97 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 124.457 1.103 . . . . 0.43 109.02 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.2 -9.99 85.36 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 115.504 -0.771 . . . . 0.53 113.355 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.444 HG21 HG12 ' A' ' 26' ' ' VAL . 49.0 t -64.33 150.65 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.019 0.928 . . . . 0.54 109.231 170.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -140.27 -6.24 1.22 Allowed 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 115.059 1.503 . . . . 2.58 115.059 166.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -158.24 145.45 17.93 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 105.222 -2.14 . . . . 1.52 105.222 -176.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -147.02 128.26 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 124.485 1.114 . . . . 2.76 108.907 -169.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -127.96 92.11 3.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.027 0.931 . . . . 1.81 110.153 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.411 HG22 HD21 ' A' ' 44' ' ' LEU . 12.7 t -92.9 101.5 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 126.372 1.869 . . . . 2.15 108.208 173.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.8 tp -104.01 110.63 22.87 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.6 -0.889 . . . . 0.49 108.6 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.26 165.79 2.5 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.596 0.758 . . . . 2.24 111.198 168.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.5 -50.15 0.66 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 126.345 1.858 . . . . 1.18 111.94 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -70.52 -24.89 62.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.256 -0.646 . . . . 1.01 109.256 167.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 56.3 37.97 29.33 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.946 1.298 . . . . 4.55 108.773 178.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.55 130.35 54.19 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 105.937 -1.875 . . . . 1.43 105.937 -166.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -99.83 136.01 40.39 Favored 'General case' 0 N--CA 1.414 -2.246 0 N-CA-C 108.02 -1.104 . . . . 1.16 108.02 -178.168 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -123.39 147.55 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 O-C-N 124.469 1.106 . . . . 0.71 110.385 154.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.04 125.44 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 105.816 -1.92 . . . . 0.38 105.816 172.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -104.54 120.72 41.92 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.471 -1.677 . . . . 2.33 106.471 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -152.6 122.41 6.94 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 123.04 0.536 . . . . 0.78 111.179 -163.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 57.71 2.65 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.271 -0.64 . . . . 2.33 109.271 -169.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -29.9 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.085 1.513 . . . . 3.07 115.085 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 91.08 106.75 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.827 2.051 . . . . 5.01 110.373 171.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pp -148.14 31.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 123.027 0.531 . . . . 0.52 111.29 -167.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.583 ' HD2' ' HZ3' ' A' ' 8' ' ' TRP . 2.2 mmt180 -54.28 -51.21 65.3 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.58 -0.7 . . . . 4.07 110.642 -175.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.74 71.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.668 0.787 . . . . 0.32 110.179 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -73.69 -42.1 61.71 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.222 -0.659 . . . . 2.99 109.222 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.636 HG11 ' CZ2' ' A' ' 8' ' ' TRP . 55.8 t -64.89 -50.74 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 108.871 -0.789 . . . . 0.47 108.871 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -47.06 -60.05 2.72 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 117.822 -1.085 . . . . 2.24 110.834 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.7 t -46.73 -48.49 20.38 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.446 1.021 . . . . 0.68 110.579 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.76 84.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.444 0.535 . . . . 0.36 112.444 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.474 HD12 HG12 ' A' ' 56' ' ' VAL . 66.8 mt -70.6 -40.07 73.42 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.915 0.886 . . . . 1.16 111.412 -176.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -49.87 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.184 -0.673 . . . . 2.6 109.184 169.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.32 -43.47 98.82 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.381 -0.199 . . . . 4.03 111.306 176.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.28 69.06 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.698 0.799 . . . . 0.44 110.609 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.47 47.35 0.42 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 123.931 0.777 . . . . 0.81 111.501 164.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -138.06 150.17 46.67 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 108.707 -0.849 . . . . 2.05 108.707 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 p -98.64 114.48 26.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.962 -1.125 . . . . 1.38 107.962 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' HB3' HG13 ' A' ' 10' ' ' VAL . 3.7 pp -106.94 176.55 5.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.091 0.556 . . . . 0.78 110.313 166.249 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -127.67 147.27 50.37 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 103.713 -2.699 . . . . 4.85 103.713 157.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -65.74 123.34 19.48 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 107.142 -1.429 . . . . 2.8 107.142 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG2' ' HD2' ' A' ' 9' ' ' LYS . 1.4 mm-40 -89.65 -179.82 5.86 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.673 -0.694 . . . . 2.53 110.635 176.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.54 0.591 0 C-N-CA 119.502 -0.879 . . . . 4.45 110.939 168.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.551 0.691 . . . . 1.86 110.166 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -96.86 140.2 31.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.957 1.303 . . . . 5.57 107.532 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.61 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 39.6 m-85 -134.04 123.33 24.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.873 1.269 . . . . 1.73 109.469 176.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.481 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 61.2 p -101.92 152.05 21.39 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 123.772 0.67 . . . . 2.07 110.943 176.05 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.81 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -133.86 170.02 16.22 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.654 -1.239 . . . . 1.06 107.654 166.133 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 4.5 mppt? -115.24 120.41 39.62 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 105.031 -2.211 . . . . 1.95 105.031 166.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.419 HG21 HD23 ' A' ' 44' ' ' LEU . 2.8 t -103.3 166.16 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 118.907 0.776 . . . . 1.15 109.0 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 t -145.05 115.04 7.41 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.997 -1.112 . . . . 1.15 107.997 164.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.42 -44.35 0.88 Allowed Glycine 0 CA--C 1.526 0.728 0 C-N-CA 123.448 0.547 . . . . 0.72 112.025 168.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.57 96.34 1.18 Allowed 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.283 -0.54 . . . . 1.88 111.162 -177.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -143.04 93.25 2.48 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.377 0.671 . . . . 3.12 109.469 166.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.26 -84.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.627 0.771 . . . . 2.38 109.936 169.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.93 -57.75 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.34 1.456 . . . . 2.18 108.6 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.23 63.77 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.998 -0.546 . . . . 0.85 111.615 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 m -72.84 -41.38 64.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.518 -0.919 . . . . 1.76 108.518 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.621 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.46 -40.53 91.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.606 -0.437 . . . . 0.55 110.454 174.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 83.8 mtm180 -61.8 -53.74 51.86 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 118.533 -1.267 . . . . 4.6 110.892 171.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -44.66 -46.75 10.38 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.853 1.206 . . . . 2.94 111.731 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.726 ' CG1' HD21 ' A' ' 44' ' ' LEU . 29.4 t -58.24 -63.07 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 124.757 1.223 . . . . 0.58 111.59 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 24' ' ' ASN . 10.7 pt-20 -56.98 -46.9 81.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 105.874 -1.899 . . . . 2.07 105.874 -172.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.478 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 24.3 m-80 -65.19 -37.33 86.99 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 123.316 0.646 . . . . 0.49 109.672 -172.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -21.98 41.49 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.475 0.71 . . . . 0.42 112.78 170.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 HG13 ' A' ' 56' ' ' VAL . 48.1 t -91.96 -50.32 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.017 1.327 . . . . 1.69 110.371 172.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -61.23 -26.75 67.96 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 120.147 -1.596 . . . . 2.75 111.202 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -62.37 -14.29 38.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.662 0.986 . . . . 0.78 113.662 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -119.71 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.177 0.899 . . . . 0.62 109.401 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.45 -48.84 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.204 0 O-C-N 121.323 -0.861 . . . . 0.48 109.247 -176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.02 -21.99 79.44 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.53 -0.759 . . . . 0.6 112.011 -177.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.413 HG11 HG12 ' A' ' 26' ' ' VAL . 72.0 t -53.47 128.63 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.998 -0.742 . . . . 0.39 108.998 168.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -133.43 -3.32 3.02 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.503 0.927 . . . . 2.57 113.503 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.96 160.26 40.98 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 105.615 -1.994 . . . . 1.5 105.615 162.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -157.17 136.36 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.999 -1.111 . . . . 1.45 107.999 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -124.35 111.12 15.42 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.713 -1.217 . . . . 2.5 107.713 170.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -95.4 119.74 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 105.538 -2.023 . . . . 2.15 105.538 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 tp -119.42 111.46 18.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.178 -1.045 . . . . 0.41 108.178 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 28.0 m-85 -61.53 159.17 13.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 124.178 0.924 . . . . 2.19 111.74 172.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 75.21 -42.26 0.48 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 128.546 2.739 . . . . 1.42 110.796 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.0 m -71.72 -22.41 61.64 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.042 0.937 . . . . 1.12 110.141 164.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.59 42.72 19.56 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.842 1.257 . . . . 3.97 111.472 -172.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.68 122.57 39.75 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.317 -1.364 . . . . 1.44 107.317 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.726 HD21 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -98.09 118.84 35.6 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 103.243 -2.873 . . . . 1.55 103.243 161.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -121.93 114.0 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.72 0 N-CA-C 108.635 -0.876 . . . . 0.7 108.635 161.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.2 t -102.37 133.9 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.026 -1.101 . . . . 0.46 108.026 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.71 104.84 13.21 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.601 -1.259 . . . . 3.03 107.601 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.26 134.57 42.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.097 0.959 . . . . 0.6 110.421 -170.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -85.66 57.33 4.41 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 108.482 -0.933 . . . . 1.85 108.482 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.24 150.63 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 128.235 2.614 . . . . 1.82 108.707 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -74.94 121.67 22.28 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.528 1.058 . . . . 3.25 109.375 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.424 HD13 HG23 ' A' ' 56' ' ' VAL . 1.8 pp -142.72 23.9 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 109.608 -0.516 . . . . 0.55 109.608 -179.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.9 mtm-85 -63.2 -44.04 96.45 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 121.223 -0.923 . . . . 2.72 111.524 -172.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.13 65.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.016 0.822 . . . . 0.33 109.882 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -78.46 -44.06 25.6 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.536 -0.542 . . . . 2.86 109.536 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.81 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 41.4 t -63.86 -46.87 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 119.509 -0.876 . . . . 0.37 108.663 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -47.81 -60.42 2.59 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.945 -1.026 . . . . 2.32 110.999 170.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.5 t -46.55 -48.65 19.42 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.346 0.975 . . . . 0.52 110.264 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.61 -51.12 71.18 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.373 0.508 . . . . 0.25 112.373 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.421 HD12 HG12 ' A' ' 56' ' ' VAL . 74.1 mt -65.93 -42.02 90.63 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.552 1.141 . . . . 1.02 111.508 -176.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -49.01 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.636 -0.876 . . . . 2.2 108.636 174.171 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -62.64 -42.68 99.73 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 121.477 -0.089 . . . . 4.56 110.994 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.1 77.05 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.963 0.905 . . . . 0.46 110.305 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.35 45.69 0.29 Allowed Glycine 0 CA--C 1.523 0.572 0 C-N-CA 124.171 0.891 . . . . 0.52 111.665 166.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -127.66 133.82 49.63 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 108.367 -0.975 . . . . 1.89 108.367 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.2 p -82.54 123.5 29.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.976 -1.861 . . . . 1.86 105.976 172.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.3 pp -125.98 176.87 6.69 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 123.879 0.737 . . . . 0.75 109.445 169.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mtp-105 -128.31 140.94 51.6 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.614 -2.365 . . . . 5.01 104.614 156.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.27 141.48 58.6 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 106.567 -1.642 . . . . 3.01 106.567 171.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.459 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.3 mm-40 -105.97 177.62 4.8 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 113.41 -1.723 . . . . 2.96 111.402 172.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 CA--C 1.538 0.486 0 CA-C-N 114.511 -1.222 . . . . 3.4 111.77 172.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 107.397 -1.334 . . . . 0.85 107.397 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -99.21 123.9 43.85 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.841 -1.072 . . . . 3.48 108.691 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.678 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.0 m-85 -108.83 133.35 52.99 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.62 1.568 . . . . 1.8 111.785 174.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.408 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 43.5 t -106.39 153.13 22.68 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.548 0.739 . . . . 2.02 110.105 172.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.882 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -139.03 159.09 42.97 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.888 1.275 . . . . 1.04 109.239 164.682 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.477 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 3.0 mppt? -105.91 123.97 48.83 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 105.441 -2.059 . . . . 1.86 105.441 168.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -105.03 166.83 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 124.419 1.087 . . . . 1.07 109.803 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -136.39 117.99 14.92 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.158 1.383 . . . . 1.07 107.701 164.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.42 -30.04 3.21 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 126.23 1.871 . . . . 0.98 111.639 176.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 22' ' ' VAL . 33.3 ttp -77.06 75.73 3.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 121.646 -0.914 . . . . 2.2 110.933 -173.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.62 59.96 1.33 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.951 0.882 . . . . 3.53 111.119 167.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.83 145.09 18.24 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.288 -0.634 . . . . 2.4 109.288 170.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 64.75 0.64 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 122.477 1.132 . . . . 2.86 113.509 -171.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.0 -48.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.661 1.985 . . . . 1.17 108.191 -171.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.2 m -68.91 -36.08 77.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.377 -0.971 . . . . 1.8 108.377 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -53.41 -50.51 65.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 119.495 -0.288 . . . . 0.52 110.886 175.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -58.87 -50.76 72.78 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.631 -0.828 . . . . 3.47 110.329 176.322 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -49.0 -46.16 43.47 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.645 -0.659 . . . . 3.13 111.832 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.501 HG21 ' SD ' ' A' ' 13' ' ' MET . 36.3 t -58.59 -59.01 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 123.407 0.683 . . . . 0.46 111.089 176.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 26' ' ' VAL . 16.4 pt-20 -62.8 -45.54 92.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.915 -1.142 . . . . 2.12 107.915 -170.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -59.9 -41.35 91.46 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 121.568 -0.708 . . . . 0.49 109.729 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -19.33 22.23 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 113.09 0.774 . . . . 0.38 113.09 174.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.66 HG12 HG13 ' A' ' 56' ' ' VAL . 8.2 m -100.9 -38.97 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 119.396 0.998 . . . . 1.85 112.738 172.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -59.71 -31.46 69.62 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.569 -0.707 . . . . 3.49 109.202 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -64.87 -14.92 61.11 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.468 0.914 . . . . 1.19 113.468 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.49 -112.57 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.653 0.66 . . . . 0.54 109.795 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.99 -49.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.917 0.887 . . . . 0.38 108.621 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.0 -9.04 87.49 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 115.297 -0.865 . . . . 0.49 113.31 -173.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.1 t -72.94 129.77 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 124.046 0.938 . . . . 0.71 109.422 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -98.9 -63.71 1.1 Allowed 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.678 -0.86 . . . . 2.12 108.678 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -137.65 104.46 5.33 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.976 0.911 . . . . 1.4 108.55 -161.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 p -93.12 137.36 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.858 0.863 . . . . 1.46 110.395 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -123.07 90.38 3.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.326 1.45 . . . . 1.74 109.725 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -89.3 117.65 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 105.453 -2.054 . . . . 1.67 105.453 166.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.0 tp -120.23 113.84 21.01 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 106.913 -1.514 . . . . 0.52 106.913 174.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 32.7 m-85 -61.14 167.04 3.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.624 0.77 . . . . 2.66 111.373 172.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.98 -47.02 0.57 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.67 2.388 . . . . 1.17 112.703 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m -69.15 -26.07 64.69 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.562 0.745 . . . . 1.08 108.991 170.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 55.52 35.02 24.28 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.177 1.391 . . . . 4.34 110.278 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.09 138.57 51.53 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.564 -1.273 . . . . 2.94 107.564 -176.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -100.64 139.02 36.92 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 107.115 -1.439 . . . . 1.34 107.115 177.613 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -124.79 147.51 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 O-C-N 123.711 0.632 . . . . 0.62 110.094 159.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.0 t -137.38 121.43 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 125.439 1.496 . . . . 0.42 107.537 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.68 123.97 39.49 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 106.702 -1.592 . . . . 4.03 106.702 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.65 135.29 18.5 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.105 0.562 . . . . 0.51 110.419 -173.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.68 57.91 4.62 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.24 -0.652 . . . . 2.11 109.24 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 169.91 161.7 0.06 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.763 2.025 . . . . 1.68 109.232 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -82.4 112.6 19.5 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.299 0.639 . . . . 3.99 110.154 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.423 HD13 HG23 ' A' ' 56' ' ' VAL . 1.4 pp -134.22 18.56 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 124.24 1.016 . . . . 0.63 111.354 177.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -61.47 -47.63 84.81 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.726 -1.234 . . . . 3.61 110.982 -169.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.43 -31.18 67.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 123.929 0.768 . . . . 0.28 110.356 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -76.05 -44.97 36.64 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.506 -0.553 . . . . 2.97 109.506 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.882 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 33.0 t -63.36 -49.63 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 108.506 -0.924 . . . . 0.37 108.506 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HA ' HD21 ' A' ' 67' ' ' LEU . 43.1 tt0 -49.92 -59.92 3.41 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.88 -1.057 . . . . 2.42 110.625 174.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 t -47.76 -45.79 29.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.437 1.017 . . . . 0.53 110.518 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.19 -50.8 70.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.559 0.743 . . . . 0.36 112.628 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.492 HD12 HG12 ' A' ' 56' ' ' VAL . 15.9 mt -68.1 -42.32 80.5 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.425 1.09 . . . . 0.97 110.516 -177.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -53.98 45.49 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.598 -0.728 . . . . 2.59 109.603 173.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -65.27 -36.14 83.18 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.622 -0.831 . . . . 4.99 111.663 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.03 72.18 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.032 -0.418 . . . . 0.55 110.655 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.62 44.17 0.56 Allowed Glycine 0 CA--C 1.523 0.549 0 C-N-CA 124.284 0.945 . . . . 0.69 111.61 167.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -131.77 130.2 41.55 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 108.775 -0.824 . . . . 2.07 108.775 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -86.24 110.35 19.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.296 -1.372 . . . . 1.97 107.296 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.623 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.8 pp -97.95 177.87 5.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.696 0.623 . . . . 0.94 111.031 170.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -130.01 139.63 51.0 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.924 -1.88 . . . . 3.47 105.924 159.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -74.66 112.32 10.74 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.903 -1.147 . . . . 3.12 107.903 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.477 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.5 mm-40 -77.71 -178.77 5.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.816 -0.753 . . . . 2.41 110.694 176.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 C--N 1.322 -0.592 0 C-N-CA 123.863 0.865 . . . . 3.41 110.232 173.418 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.515 -0.395 0 N-CA-C 107.669 -1.234 . . . . 1.09 107.669 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -98.59 138.31 35.96 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.703 -1.589 . . . . 5.3 108.759 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.656 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.1 m-85 -118.63 135.17 54.6 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.731 2.012 . . . . 2.07 110.678 172.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.441 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 17.2 t -110.21 153.0 25.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.174 0.99 . . . . 2.06 109.813 174.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.882 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 5.7 m-90 -138.25 156.54 47.57 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 124.418 1.087 . . . . 1.04 109.109 168.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -111.73 109.53 19.43 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 106.271 -1.751 . . . . 1.9 106.271 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 11' ' ' SER . 1.7 t -100.91 178.37 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.102 0.961 . . . . 1.46 110.268 -175.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.505 ' H ' HG12 ' A' ' 10' ' ' VAL . 13.2 m -153.43 106.93 2.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.016 1.326 . . . . 1.4 108.536 173.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.14 -34.65 1.82 Allowed Glycine 0 CA--C 1.529 0.924 0 C-N-CA 125.081 1.324 . . . . 0.98 112.34 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -73.78 99.49 3.19 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.977 -0.719 . . . . 2.1 110.668 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -151.87 77.37 1.22 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.257 0.623 . . . . 3.27 110.07 170.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -155.55 -93.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.042 0.937 . . . . 2.39 110.385 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.11 -56.95 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.083 1.353 . . . . 2.23 108.738 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.31 -34.78 58.81 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.561 -0.745 . . . . 0.84 111.108 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.1 m -72.61 -43.56 63.14 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.258 -1.015 . . . . 1.66 108.258 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.652 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -56.13 -47.67 77.69 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.869 -0.419 . . . . 0.61 109.869 176.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.48 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 33.7 mtt-85 -63.57 -53.51 50.67 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.183 -1.007 . . . . 3.11 109.84 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -48.62 -40.58 28.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.2 -0.938 . . . . 4.25 111.948 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.443 HG11 HD21 ' A' ' 44' ' ' LEU . 47.8 t -61.5 -62.06 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 123.376 0.67 . . . . 0.7 110.553 171.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.48 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 11.8 pt-20 -59.38 -43.54 92.88 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 107.83 -1.174 . . . . 1.85 107.83 -169.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -59.88 -41.22 91.07 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.802 1.241 . . . . 0.59 109.754 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -58.92 -22.47 59.76 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.046 0.758 . . . . 0.71 113.046 171.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.567 HG12 HG11 ' A' ' 32' ' ' VAL . 46.9 t -91.14 -39.38 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.889 1.276 . . . . 1.72 110.924 172.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -66.24 -34.77 78.76 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 119.704 -1.872 . . . . 2.56 109.676 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.85 -14.78 24.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.563 1.32 . . . . 0.69 114.563 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.86 -104.06 0.0 OUTLIER 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.65 1.114 . . . . 0.6 110.925 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 174.88 -52.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.631 1.172 . . . . 0.41 108.824 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.63 -18.49 78.65 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 115.172 -0.922 . . . . 0.38 112.813 -173.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.567 HG11 HG12 ' A' ' 26' ' ' VAL . 53.0 t -62.47 132.2 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 124.675 1.19 . . . . 0.37 109.693 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -99.0 -62.75 1.19 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.173 -1.047 . . . . 2.09 108.173 173.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -140.51 105.57 4.99 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.197 0.999 . . . . 1.38 108.553 -163.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -101.15 134.11 42.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 123.977 0.911 . . . . 1.46 109.213 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -134.92 104.09 5.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 122.668 1.223 . . . . 1.68 109.078 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.443 HG12 ' CD2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -95.17 127.63 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 127.828 2.451 . . . . 1.57 105.985 177.362 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.2 tp -125.88 123.04 37.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.161 -1.052 . . . . 0.46 108.161 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 29.8 m-85 -71.51 170.03 14.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.553 0.741 . . . . 2.17 112.526 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 69.72 -48.25 0.61 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.457 2.303 . . . . 1.35 112.635 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -67.94 -25.68 65.58 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.843 0.857 . . . . 1.03 109.458 169.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 55.1 33.7 20.98 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.616 1.566 . . . . 4.25 111.063 179.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.14 137.2 47.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.935 -1.135 . . . . 1.32 107.935 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.443 ' CD2' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.42 142.28 33.04 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.088 -1.449 . . . . 1.12 107.088 177.061 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.23 139.77 49.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 118.75 0.704 . . . . 0.8 111.858 165.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -133.9 123.92 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 C-N-CA 125.202 1.401 . . . . 0.4 108.187 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -96.52 124.11 40.4 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.228 -1.397 . . . . 4.2 107.228 167.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.2 134.99 18.8 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.448 0.467 . . . . 0.57 111.065 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.9 56.94 3.26 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.427 0.691 . . . . 2.33 109.689 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 172.2 170.21 0.11 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.855 1.662 . . . . 1.71 109.193 175.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -80.86 110.77 16.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.58 1.952 . . . . 4.66 109.695 171.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.419 HD13 HG23 ' A' ' 56' ' ' VAL . 1.6 pp -138.84 19.31 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 O-C-N 121.687 -0.633 . . . . 0.59 111.229 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -64.71 -47.11 79.54 Favored 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 120.701 -1.249 . . . . 2.57 110.924 -169.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.0 -31.03 69.54 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.34 109.823 173.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -44.38 71.56 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.118 -0.697 . . . . 2.68 109.118 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.882 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 44.9 t -66.55 -55.54 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 107.769 -1.197 . . . . 0.36 107.769 -179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -43.75 -58.57 2.64 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 117.43 -1.272 . . . . 2.41 109.79 175.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.5 t -45.26 -41.9 9.02 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.728 1.149 . . . . 0.62 111.358 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -68.29 -45.63 72.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.194 0.598 . . . . 0.29 110.791 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mp -68.4 -39.76 81.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.634 -0.666 . . . . 1.86 111.615 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.98 -54.52 46.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.358 -1.349 . . . . 3.07 107.358 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -32.57 70.94 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 111.849 0.314 . . . . 4.55 111.849 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.55 83.55 Favored 'General case' 0 C--N 1.34 0.186 0 O-C-N 121.671 -0.643 . . . . 0.79 111.161 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.75 47.03 0.54 Allowed Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.744 1.164 . . . . 0.56 111.836 173.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -131.03 122.64 27.13 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 108.28 -1.008 . . . . 1.9 108.28 173.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -83.74 121.8 27.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.238 -1.023 . . . . 1.71 108.238 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 pp -123.77 177.06 5.9 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.767 0.827 . . . . 0.83 111.56 173.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -129.21 122.09 28.99 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 105.497 -2.038 . . . . 4.07 105.497 169.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.39 124.17 19.85 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.555 -1.276 . . . . 4.11 107.555 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -177.52 3.54 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 122.981 1.372 . . . . 2.77 109.483 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 113.723 -1.58 . . . . 3.3 109.827 177.394 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.515 -0.38 0 N-CA-C 107.596 -1.261 . . . . 1.13 107.596 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -99.76 144.57 28.68 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 107.781 -1.192 . . . . 3.29 107.781 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.606 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 15.1 m-85 -130.88 132.89 45.43 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.192 1.797 . . . . 1.75 109.749 170.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.438 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 94.1 p -108.99 154.64 21.89 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 118.822 0.737 . . . . 1.87 110.892 173.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.776 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -141.11 159.9 41.24 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.603 0.761 . . . . 1.06 109.841 169.377 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -111.51 96.2 5.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.846 1.659 . . . . 2.16 107.754 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.48 142.45 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 124.483 1.113 . . . . 1.43 109.763 -173.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 t -135.63 70.12 1.43 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.068 0.947 . . . . 1.23 108.839 -162.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.57 -38.96 0.03 OUTLIER Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.952 -0.642 . . . . 0.67 112.007 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.56 111.98 4.46 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 118.655 -1.218 . . . . 2.36 110.959 175.25 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -145.37 72.86 1.33 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.132 0.973 . . . . 3.46 111.547 172.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.9 t -165.72 -63.03 0.03 OUTLIER 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.8 -0.562 . . . . 2.89 111.624 169.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 150.08 -53.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 127.972 2.509 . . . . 2.41 108.992 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.04 -38.73 65.5 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.276 0.56 . . . . 1.36 110.889 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -67.16 -33.6 75.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.284 1.033 . . . . 3.06 109.763 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.16 90.07 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.36 -0.608 . . . . 0.77 109.36 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 92.3 mtt180 -62.22 -46.82 87.18 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 119.716 -0.794 . . . . 2.54 110.147 176.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -49.71 -41.43 43.42 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.132 -0.98 . . . . 3.74 111.788 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.558 HG13 HD21 ' A' ' 60' ' ' LEU . 91.1 t -57.6 -60.49 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.939 0.896 . . . . 0.63 109.694 174.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 15.0 pt-20 -60.88 -45.93 92.62 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.956 -1.127 . . . . 1.99 107.956 -172.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -58.16 -40.61 81.86 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.25 1.02 . . . . 0.59 109.434 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 -21.96 62.35 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.012 0.745 . . . . 0.48 113.012 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 56' ' ' VAL . 40.2 t -92.47 -41.47 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.677 1.191 . . . . 1.75 110.662 173.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -62.13 -34.88 77.19 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 120.321 -1.487 . . . . 2.61 110.056 -174.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -58.81 -13.94 7.49 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.753 1.39 . . . . 0.51 114.753 176.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.41 -112.31 0.0 OUTLIER 'General case' 0 C--N 1.343 0.317 0 CA-C-N 119.987 1.267 . . . . 0.92 111.243 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.67 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.743 0.817 . . . . 0.36 109.462 -173.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.27 -12.43 84.59 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-N 115.705 -0.68 . . . . 0.46 113.034 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.51 HG21 HG12 ' A' ' 26' ' ' VAL . 52.8 t -64.05 139.09 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 C-N-CA 124.511 1.124 . . . . 0.44 108.929 173.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -108.93 -45.23 3.83 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.581 -0.896 . . . . 2.37 108.581 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -161.19 154.58 21.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.467 -1.309 . . . . 1.28 107.467 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.62 157.14 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 124.627 1.171 . . . . 2.13 110.536 -174.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.85 101.63 4.97 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.075 1.35 . . . . 4.13 110.867 170.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 m -95.54 76.36 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 127.909 2.484 . . . . 1.92 109.823 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.3 tp -93.66 90.58 6.67 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 105.479 -2.045 . . . . 1.29 105.479 -174.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -61.44 166.37 4.06 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 113.664 -1.607 . . . . 2.92 109.693 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.59 -49.76 0.7 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.132 1.373 . . . . 2.6 111.421 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 m -70.0 -3.52 16.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.825 0.85 . . . . 2.01 111.521 170.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 64.9 29.08 12.58 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.044 0.937 . . . . 6.18 110.795 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.56 121.57 17.8 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 121.24 -0.912 . . . . 1.67 112.425 -169.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.06 141.27 32.03 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 106.999 -1.482 . . . . 2.06 106.999 171.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -127.52 145.99 34.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 123.544 0.528 . . . . 0.71 111.368 156.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.3 t -132.52 129.17 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 125.794 1.638 . . . . 0.51 107.806 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.88 119.37 38.32 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.773 1.629 . . . . 2.23 108.764 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.68 144.13 24.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.029 1.332 . . . . 0.69 111.927 -163.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.95 56.74 1.73 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.039 0.936 . . . . 2.55 109.546 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 171.67 172.3 0.09 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.62 1.968 . . . . 1.69 107.45 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -86.12 123.68 31.69 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 118.948 0.794 . . . . 3.2 109.03 165.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -133.93 23.22 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.343 1.057 . . . . 0.73 110.057 166.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.425 HH22 ' CB ' ' A' ' 69' ' ' ASP . 6.0 mtp-105 -65.49 -50.13 66.47 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 120.108 -1.62 . . . . 3.1 111.662 -168.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.14 -24.29 62.89 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.437 -0.801 . . . . 0.34 109.531 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -48.22 33.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.215 -1.031 . . . . 2.65 108.215 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.776 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 43.1 t -64.11 -47.68 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 115.359 -0.837 . . . . 0.39 108.863 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.519 ' HA ' HD21 ' A' ' 67' ' ' LEU . 11.4 tm-20 -48.72 -61.33 2.09 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 117.508 -1.234 . . . . 2.93 111.474 171.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 t -50.48 -44.67 55.86 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.742 1.156 . . . . 0.58 110.232 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.75 72.65 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.719 0.637 . . . . 0.35 112.719 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.558 HD21 HG13 ' A' ' 22' ' ' VAL . 35.1 mt -66.03 -44.95 83.18 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.559 0.744 . . . . 1.05 109.995 -176.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.45 -52.15 55.58 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.34 -0.845 . . . . 3.53 109.347 173.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -62.39 -40.21 95.73 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.139 -0.35 . . . . 4.97 111.524 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.17 73.82 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.484 0.714 . . . . 0.56 110.333 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.62 54.93 0.22 Allowed Glycine 0 C--N 1.334 0.435 0 N-CA-C 110.254 -1.139 . . . . 0.56 110.254 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -132.44 175.36 9.36 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.92 -1.511 . . . . 1.83 106.92 171.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 p -121.55 121.12 36.73 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.285 -2.487 . . . . 1.91 104.285 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.599 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.4 pp -113.72 176.4 5.05 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.834 0.349 . . . . 0.94 110.858 170.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -132.39 128.99 38.76 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.404 -2.073 . . . . 3.58 105.404 165.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.425 ' CB ' HH22 ' A' ' 53' ' ' ARG . 0.9 OUTLIER -59.78 104.92 0.32 Allowed 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.95 1.3 . . . . 3.37 109.004 176.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.45 168.2 15.72 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.598 0.713 . . . . 3.0 111.669 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.3 pm0 . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 125.832 1.653 . . . . 3.84 112.049 167.967 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 122.1 0.953 . . . . 1.28 111.425 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -98.41 138.16 36.05 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.786 -2.006 . . . . 5.68 108.102 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.642 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 21.8 m-85 -117.75 132.3 56.48 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 128.129 2.571 . . . . 1.98 110.487 166.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.2 t -113.52 150.37 33.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.101 1.36 . . . . 1.87 109.358 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.743 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -141.43 155.89 45.83 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 123.996 0.919 . . . . 1.14 111.447 169.178 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -111.18 101.1 9.64 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.914 1.685 . . . . 2.24 106.993 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -106.28 167.24 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 119.545 1.066 . . . . 1.29 110.619 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -139.66 102.72 4.51 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 107.814 -1.18 . . . . 1.05 107.814 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.93 -21.75 1.27 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 122.986 0.327 . . . . 0.92 113.215 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.55 ' SD ' HG21 ' A' ' 22' ' ' VAL . 8.2 mtm -64.81 108.89 1.88 Allowed 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.936 -0.743 . . . . 3.45 112.328 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.1 p-10 -142.16 -9.77 0.87 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.447 1.277 . . . . 4.85 114.447 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 m -122.77 141.65 51.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.663 1.12 . . . . 2.94 112.178 -161.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.26 -51.72 10.48 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.308 0.855 . . . . 2.11 113.308 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.35 75.18 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.384 0.674 . . . . 1.2 111.721 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -70.42 -40.63 73.72 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.628 -0.878 . . . . 1.73 108.628 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.747 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -55.66 -48.78 74.44 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.874 -0.417 . . . . 0.86 109.874 175.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 6.1 mtt85 -63.3 -52.27 62.64 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 118.599 -1.24 . . . . 3.6 110.874 176.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -48.63 -41.56 31.51 Favored 'General case' 0 C--O 1.223 -0.312 0 O-C-N 121.197 -0.939 . . . . 5.14 111.649 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.55 HG21 ' SD ' ' A' ' 13' ' ' MET . 42.5 t -62.09 -59.48 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.339 1.056 . . . . 0.67 112.33 175.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 26' ' ' VAL . 12.3 pt-20 -60.6 -44.78 95.88 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 106.835 -1.542 . . . . 1.88 106.835 -173.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -66.87 -32.09 73.13 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.075 -1.016 . . . . 0.72 111.065 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.76 -26.25 44.9 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-O 118.613 -0.708 . . . . 0.39 111.655 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.518 HG12 HG13 ' A' ' 56' ' ' VAL . 2.7 m -98.06 -43.98 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 118.931 0.787 . . . . 2.01 112.507 175.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -61.37 -25.7 67.34 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.47 -0.769 . . . . 2.53 110.894 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -67.72 -13.85 62.46 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 112.787 0.662 . . . . 0.52 112.787 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -112.41 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.883 0.873 . . . . 0.64 109.081 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.22 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.966 1.306 . . . . 0.33 108.514 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.51 -19.44 79.86 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 115.491 -0.777 . . . . 0.4 113.249 -173.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.79 131.35 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.457 0.703 . . . . 0.55 109.648 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -99.38 -51.03 3.91 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.383 -1.34 . . . . 2.07 107.383 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -147.21 155.25 41.93 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.197 -1.409 . . . . 1.44 107.197 -171.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.64 141.1 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.759 1.224 . . . . 1.44 109.285 -171.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 43.0 mt-30 -124.19 91.86 3.54 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.077 1.351 . . . . 1.83 108.932 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.4 101.33 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.824 1.25 . . . . 2.09 107.875 172.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -104.16 108.46 19.84 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.682 -0.858 . . . . 0.68 108.682 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 19.0 m-85 -63.09 168.27 4.26 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-O 121.361 0.601 . . . . 2.33 111.243 168.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.85 -47.67 0.65 Allowed 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 126.33 1.852 . . . . 1.13 111.803 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.36 4.14 21.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.247 1.019 . . . . 0.94 112.276 172.223 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 35.67 33.64 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.177 2.591 . . . . 4.63 115.142 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.67 130.03 56.1 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.903 -0.777 . . . . 1.34 108.903 -171.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -98.49 139.2 34.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.175 -1.787 . . . . 1.13 106.175 179.563 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 18.9 t -126.29 144.08 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 O-C-N 123.669 0.605 . . . . 0.69 109.845 160.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 67.0 t -132.9 125.03 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 106.133 -1.803 . . . . 0.37 106.133 176.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -110.78 99.43 8.36 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 106.554 -1.647 . . . . 2.74 106.554 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.02 143.07 49.8 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.028 1.331 . . . . 0.52 110.024 -168.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.71 58.91 0.85 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.595 -0.52 . . . . 2.02 109.595 -174.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.15 -32.31 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.704 1.372 . . . . 2.75 114.704 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.5 t0 78.64 127.05 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 127.628 2.371 . . . . 3.12 110.111 -166.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -149.19 32.06 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 C-N-CA 125.666 1.586 . . . . 0.5 108.12 178.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 mtm-85 -60.49 -49.12 78.81 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 121.194 -0.941 . . . . 2.75 111.949 -166.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.05 -31.78 63.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 123.896 0.748 . . . . 0.36 110.702 174.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -77.57 -45.0 26.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.445 -0.784 . . . . 2.64 109.53 -173.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.743 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 24.6 t -65.33 -46.75 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 109.159 -0.682 . . . . 0.63 109.159 175.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.573 ' HA ' HD21 ' A' ' 67' ' ' LEU . 2.0 tm-20 -50.55 -55.05 17.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.184 -0.912 . . . . 3.24 110.354 175.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.1 t -49.86 -48.14 51.42 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.579 0.627 . . . . 0.57 110.392 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.23 -49.17 78.88 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.471 0.545 . . . . 0.29 112.471 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.448 HD12 HG12 ' A' ' 56' ' ' VAL . 19.5 mt -65.03 -42.51 94.29 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.593 -0.692 . . . . 1.03 110.121 -177.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -52.25 66.1 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.99 -0.744 . . . . 2.16 108.99 175.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -56.19 -41.99 76.4 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.667 0.27 . . . . 3.84 111.077 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.53 -17.52 62.88 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 125.117 1.367 . . . . 0.94 112.941 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.79 46.79 1.01 Allowed Glycine 0 C--N 1.339 0.715 0 C-N-CA 125.056 1.313 . . . . 0.51 112.342 166.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -134.05 155.91 49.17 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.021 0.91 . . . . 1.95 110.137 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.1 m -104.05 118.81 37.56 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.574 -1.639 . . . . 1.63 106.574 168.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.573 HD21 ' HA ' ' A' ' 57' ' ' GLU . 3.9 pp -113.83 174.23 6.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.246 1.018 . . . . 0.88 109.367 171.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -133.65 137.47 45.39 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 105.282 -2.118 . . . . 3.36 105.282 166.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -68.84 120.69 15.16 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 107.908 -1.145 . . . . 3.26 107.908 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.01 178.67 5.68 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.015 -1.448 . . . . 2.81 109.649 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.613 0.72 . . . . 3.75 110.423 164.346 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 CA--C 1.512 -0.501 0 N-CA-C 108.971 -0.751 . . . . 0.95 108.971 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.436 ' HG3' HG13 ' A' ' 45' ' ' VAL . 13.8 ttm180 -96.64 113.62 25.2 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 125.041 1.463 . . . . 3.56 107.916 -174.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.707 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 18.2 m-85 -100.23 124.04 45.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 118.594 -0.717 . . . . 1.86 112.544 171.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.401 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 0.8 OUTLIER -99.43 145.52 27.32 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 124.227 0.955 . . . . 1.9 109.392 177.363 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.894 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.2 m-90 -131.25 157.33 43.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.656 0.662 . . . . 1.11 110.213 163.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -103.49 101.03 10.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.273 -1.751 . . . . 3.35 106.273 171.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.495 HG12 ' HB3' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -96.02 -179.64 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 119.335 0.97 . . . . 1.3 109.072 -174.321 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 p -157.2 118.84 3.73 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.94 -0.475 . . . . 2.91 110.303 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.89 -22.91 5.08 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.344 1.449 . . . . 0.72 112.05 168.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.37 87.37 7.21 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 117.491 0.645 . . . . 1.88 109.479 -177.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -140.66 80.58 1.76 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.9 0.381 . . . . 2.94 110.033 168.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.97 -88.34 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.577 0.751 . . . . 2.34 109.95 174.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.96 -60.2 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.43 1.092 . . . . 2.1 109.556 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.85 -32.78 61.02 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.917 -0.489 . . . . 0.86 111.252 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.7 m -74.38 -33.82 63.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.317 -0.623 . . . . 1.87 109.317 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.749 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -59.34 -45.74 90.54 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.685 -0.857 . . . . 0.56 108.685 173.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -59.95 -52.05 67.08 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 118.884 -1.127 . . . . 2.57 111.106 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -42.95 61.12 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.444 -0.902 . . . . 2.96 111.392 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.794 ' CG1' HD21 ' A' ' 44' ' ' LEU . 37.4 t -56.04 -62.85 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.31 0.644 . . . . 0.58 111.789 173.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.521 ' O ' HG22 ' A' ' 26' ' ' VAL . 23.5 pt-20 -59.3 -44.45 92.51 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 107.567 -1.271 . . . . 1.97 107.567 -170.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -64.88 -34.25 77.94 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.941 0.896 . . . . 0.48 110.682 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.33 -21.71 50.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.264 -0.874 . . . . 0.37 112.041 171.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.566 HG12 HG13 ' A' ' 56' ' ' VAL . 5.0 m -102.48 -39.97 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 119.297 0.953 . . . . 1.93 112.932 176.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.35 -25.35 65.78 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.365 -0.834 . . . . 2.66 110.926 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -69.82 -12.98 62.04 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.243 0.831 . . . . 0.5 113.243 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -119.08 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.538 1.135 . . . . 0.71 108.778 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.51 -46.32 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.177 0 O-C-N 121.244 -0.91 . . . . 0.32 108.879 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.42 -20.44 71.93 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 115.758 -0.656 . . . . 0.45 112.846 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.91 139.14 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.644 0.778 . . . . 0.49 109.156 173.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -130.5 -47.86 1.07 Allowed 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.84 -0.6 . . . . 2.8 112.005 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.87 104.81 8.03 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.03 0.832 . . . . 1.42 109.444 -173.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.45 138.22 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 121.408 -0.807 . . . . 1.54 110.931 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -122.46 93.87 4.11 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.824 2.449 . . . . 1.87 107.243 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.3 m -91.86 110.87 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.558 -1.645 . . . . 1.72 106.558 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 tp -120.16 112.57 19.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.467 -0.938 . . . . 0.64 108.467 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.749 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 24.6 m-85 -63.2 165.7 7.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.757 0.823 . . . . 2.31 111.388 168.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.17 -50.33 0.7 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.961 2.104 . . . . 1.28 111.832 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -64.63 -22.7 67.04 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.889 -0.782 . . . . 1.35 108.889 161.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 58.63 41.11 22.67 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.122 1.369 . . . . 4.6 108.779 174.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.23 135.82 51.16 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.571 0.7 . . . . 2.98 112.332 -167.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.794 HD21 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -101.56 119.56 38.95 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 126.984 2.113 . . . . 1.52 106.145 -176.146 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.436 HG13 ' HG3' ' A' ' 5' ' ' ARG . 18.9 t -122.1 102.39 11.73 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.562 0 O-C-N 124.055 0.847 . . . . 0.94 110.182 173.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.4 t -104.38 113.6 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.408 -0.96 . . . . 0.51 108.408 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -97.16 113.54 25.13 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 105.804 -1.925 . . . . 2.49 105.804 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -138.0 142.53 40.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.453 1.101 . . . . 0.5 110.01 -168.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.48 58.83 2.84 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.534 -0.543 . . . . 1.97 109.534 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 166.49 158.76 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 128.07 2.548 . . . . 1.75 107.528 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -76.32 126.17 30.5 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 108.347 -0.983 . . . . 3.14 108.347 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.416 HD13 HG23 ' A' ' 56' ' ' VAL . 1.4 pp -139.54 21.98 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 123.276 0.631 . . . . 0.62 109.965 173.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -63.62 -48.43 77.35 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 120.767 -1.208 . . . . 3.06 111.933 -165.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.87 -34.18 62.7 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.749 0.656 . . . . 0.29 110.008 172.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -75.66 -39.52 57.5 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.36 -0.607 . . . . 2.75 109.36 -173.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.894 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 47.1 t -66.51 -54.62 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.075 0 N-CA-C 107.719 -1.215 . . . . 0.46 107.719 174.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -42.9 -56.55 3.22 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.605 0.762 . . . . 2.44 111.761 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.0 t -47.45 -43.6 24.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.072 0.463 . . . . 0.53 111.099 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.05 -48.93 72.05 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 122.849 0.46 . . . . 0.39 110.129 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -68.17 -39.67 82.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.913 0.485 . . . . 1.97 111.425 -175.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -50.13 68.56 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.423 -0.954 . . . . 2.35 108.423 173.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -67.57 -36.93 81.88 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.173 0.434 . . . . 4.51 112.173 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.08 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.956 0.902 . . . . 0.61 110.134 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.22 41.45 0.4 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 124.724 1.154 . . . . 0.76 111.781 168.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.495 ' HB3' HG12 ' A' ' 10' ' ' VAL . 9.2 m-85 -128.96 126.52 39.78 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 118.02 0.91 . . . . 2.2 109.558 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 m -83.65 117.75 23.39 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.713 -1.217 . . . . 1.47 107.713 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.41 ' HB3' HG13 ' A' ' 10' ' ' VAL . 4.0 pp -127.1 171.25 11.55 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.39 1.076 . . . . 0.79 109.862 173.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -139.09 125.84 20.81 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.82 -2.659 . . . . 4.31 103.82 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -41.89 109.65 0.14 Allowed 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.56 1.544 . . . . 3.53 110.465 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -102.36 158.59 16.09 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.857 0.837 . . . . 3.4 109.576 -174.583 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 122.22 1.01 . . . . 4.05 112.659 -179.222 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.448 -0.567 0 N-CA-C 106.989 -1.486 . . . . 1.85 106.989 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -101.2 114.29 28.12 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 113.676 -1.602 . . . . 3.57 108.126 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.77 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 9.9 m-85 -95.69 121.15 37.09 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 124.518 1.127 . . . . 2.18 110.58 176.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.3 m -98.5 152.45 19.53 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 123.79 0.681 . . . . 1.82 110.002 174.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.828 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -144.19 169.03 18.66 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.14 0.576 . . . . 1.22 111.175 159.877 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 126.05 51.74 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.243 1.817 . . . . 2.03 106.177 170.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.745 HG21 HD23 ' A' ' 44' ' ' LEU . 4.9 t -119.51 88.48 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 119.235 0.925 . . . . 2.29 110.599 -169.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 t -82.1 81.56 7.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.326 -0.99 . . . . 0.98 108.326 -163.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.85 -23.44 0.91 Allowed Glycine 0 CA--C 1.528 0.852 0 CA-C-N 115.159 -0.928 . . . . 0.87 111.665 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.9 ttp -73.25 76.73 1.32 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.386 1.093 . . . . 2.1 111.384 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -141.19 58.05 1.53 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.723 0.773 . . . . 3.04 111.422 171.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -146.0 141.32 27.58 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.595 -0.691 . . . . 2.63 109.464 168.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.45 69.28 0.15 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.949 1.7 . . . . 2.88 111.303 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 171.95 -43.96 0.01 OUTLIER 'General case' 0 C--O 1.236 0.363 0 C-N-CA 127.024 2.13 . . . . 1.01 108.959 -168.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.19 -48.53 56.77 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.681 -1.229 . . . . 1.77 107.681 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -50.53 -47.72 57.48 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.282 0.364 . . . . 0.74 111.032 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 52.3 mtt-85 -59.99 -48.06 83.27 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 120.366 -0.534 . . . . 3.31 110.245 175.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -46.11 63.68 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.184 -0.948 . . . . 4.05 110.1 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.044 HG11 HD21 ' A' ' 44' ' ' LEU . 90.2 t -58.96 -61.87 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 122.586 0.354 . . . . 0.94 111.011 174.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.0 pt-20 -59.35 -44.75 92.63 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 106.516 -1.661 . . . . 2.2 106.516 -166.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -65.8 -39.24 90.74 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 121.239 -0.913 . . . . 1.17 110.204 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.6 -19.37 48.46 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.962 0.727 . . . . 0.84 112.962 169.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 22' ' ' VAL . 63.2 t -88.25 -47.57 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 124.095 0.958 . . . . 1.56 109.439 171.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.6 mtm105 -64.17 -29.98 71.07 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 120.067 -1.646 . . . . 3.31 111.276 -173.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.411 ' HG3' HD23 ' A' ' 29' ' ' LEU . 11.9 pt20 -60.23 -16.83 37.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 117.989 -1.005 . . . . 0.7 113.477 178.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.411 HD23 ' HG3' ' A' ' 28' ' ' GLN . 2.0 mt -63.88 -104.97 0.0 OUTLIER 'General case' 0 C--N 1.344 0.344 0 CA-C-N 119.086 0.857 . . . . 0.51 110.769 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 175.49 -50.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.554 1.141 . . . . 0.34 109.146 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.15 -13.32 81.13 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 115.532 -0.758 . . . . 0.49 112.606 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.8 t -58.52 144.24 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 123.62 0.768 . . . . 0.61 109.087 168.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -120.2 -47.84 2.35 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 119.169 -0.444 . . . . 2.84 109.961 164.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -130.63 159.3 37.6 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.567 0.699 . . . . 1.42 109.451 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -156.33 137.74 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 107.303 -1.369 . . . . 1.37 107.303 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -136.54 98.54 3.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.564 -1.273 . . . . 1.75 107.564 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.4 m -93.92 131.52 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 C-N-CA 126.709 2.004 . . . . 1.68 105.664 175.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -132.51 116.14 16.37 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.928 -0.767 . . . . 0.41 108.928 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 56.7 m-85 -63.57 161.18 15.13 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 124.436 1.094 . . . . 2.9 111.838 172.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.08 -38.43 0.42 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 129.326 3.05 . . . . 1.3 111.095 175.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.1 m -75.82 -17.88 59.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.989 1.316 . . . . 1.1 109.901 164.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 45.92 43.56 10.39 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.228 1.411 . . . . 3.81 110.76 -171.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.02 129.65 45.31 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.411 -0.959 . . . . 1.25 108.411 -175.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.044 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -98.33 128.5 44.78 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 105.074 -2.195 . . . . 1.5 105.074 160.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 t -127.76 126.8 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 O-C-N 124.24 0.963 . . . . 0.64 109.402 155.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.8 t -115.55 133.2 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 124.855 1.262 . . . . 0.44 110.045 171.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -114.29 106.75 14.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.096 1.758 . . . . 2.94 106.374 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -138.96 121.48 16.18 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.494 1.118 . . . . 1.01 110.703 -170.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.51 59.94 5.75 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 124.918 1.287 . . . . 2.01 110.125 -174.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -174.3 -35.74 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.269 1.428 . . . . 2.76 111.468 175.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.7 t0 80.0 136.59 0.06 Allowed 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 128.964 2.906 . . . . 3.73 111.618 -171.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.471 HD13 HG23 ' A' ' 56' ' ' VAL . 1.2 pp -156.73 26.3 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 128.333 2.653 . . . . 0.66 110.145 -169.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -54.83 -49.55 70.76 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 121.266 1.848 . . . . 3.12 112.631 -173.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.36 -31.12 68.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 123.406 0.441 . . . . 0.31 110.523 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -51.3 37.29 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.673 -0.492 . . . . 3.0 109.673 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.828 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 45.3 t -65.45 -48.28 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 108.158 -1.053 . . . . 0.47 108.158 -177.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -50.78 -60.83 2.65 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 117.177 -1.392 . . . . 2.79 110.814 174.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -48.54 -47.2 39.43 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 120.501 1.5 . . . . 0.56 110.855 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.52 -51.75 68.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.709 0.404 . . . . 0.41 111.744 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.896 HD21 HG13 ' A' ' 22' ' ' VAL . 77.7 mt -62.89 -46.58 87.17 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.218 1.007 . . . . 1.1 110.565 -177.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.45 -52.78 34.94 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.11 0.964 . . . . 3.45 108.689 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -63.8 -42.45 97.72 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 121.108 -0.237 . . . . 4.3 111.527 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -40.04 81.21 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 123.826 0.85 . . . . 0.52 110.685 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.98 57.7 0.15 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.677 -0.969 . . . . 0.92 110.677 172.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -128.88 177.6 6.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.0 0.92 . . . . 2.09 108.565 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 p -136.07 125.97 25.84 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.469 -1.308 . . . . 2.13 107.469 172.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.06 168.32 20.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.411 1.084 . . . . 1.64 110.133 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.27 121.27 16.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.254 -3.239 . . . . 5.17 102.254 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -61.52 100.45 0.14 Allowed 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 122.955 1.36 . . . . 2.73 111.965 -167.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -81.05 163.18 23.4 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 113.961 -1.472 . . . . 3.39 110.379 -166.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 . . . . . 0 N--CA 1.447 -0.618 0 CA-C-N 115.214 -0.903 . . . . 5.44 110.615 177.011 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.402 ' HB ' ' CE1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.167 0 N-CA-C 108.829 -0.804 . . . . 0.98 108.829 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.8 138.33 47.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.027 1.331 . . . . 3.68 109.017 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.484 ' HB2' ' CH2' ' A' ' 8' ' ' TRP . 9.9 m-85 -139.33 148.39 42.85 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 117.59 -1.195 . . . . 1.77 112.464 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -122.81 154.91 37.59 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.896 1.225 . . . . 2.65 113.506 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.821 ' CE3' HG11 ' A' ' 56' ' ' VAL . 10.2 m-90 -134.7 152.01 51.44 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 127.034 2.134 . . . . 3.01 108.389 170.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -103.95 82.92 2.04 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.092 1.357 . . . . 2.55 108.326 -171.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.39 90.65 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-O 121.835 0.826 . . . . 2.3 110.29 -155.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.54 95.44 9.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 106.712 -1.588 . . . . 0.92 106.712 -174.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.3 -27.22 0.88 Allowed Glycine 0 CA--C 1.526 0.739 0 CA-C-N 114.409 -1.269 . . . . 1.08 110.031 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 22' ' ' VAL . 27.4 ttp -69.88 85.82 0.51 Allowed 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 122.124 -0.633 . . . . 1.99 110.016 173.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.45 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 60.7 t0 -130.56 77.73 1.8 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.975 0.51 . . . . 3.4 110.432 167.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.64 140.6 0.1 Allowed 'General case' 0 C--N 1.34 0.155 0 C-N-CA 125.123 1.369 . . . . 2.75 108.382 171.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.74 94.45 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.409 1.004 . . . . 2.06 112.028 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.92 -32.2 71.7 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.746 -0.596 . . . . 0.98 111.28 174.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.3 m -83.12 -32.42 26.71 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.392 1.077 . . . . 2.31 109.094 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.66 -43.43 72.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.877 -0.515 . . . . 0.57 109.847 168.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.452 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 16.1 mtt85 -55.74 -45.49 78.02 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 121.061 -1.024 . . . . 3.51 111.818 172.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -35.4 22.22 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.571 -1.331 . . . . 3.69 112.369 175.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 13' ' ' MET . 94.4 t -67.01 -55.41 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 119.592 1.087 . . . . 0.64 112.101 175.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.6 pt-20 -61.09 -41.81 97.34 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 106.977 -1.49 . . . . 1.99 106.977 -176.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 12.4 m-80 -67.62 -35.54 79.12 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.601 -1.312 . . . . 0.52 109.515 -175.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.96 -30.11 58.27 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-O 118.312 -0.851 . . . . 0.66 112.42 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.533 HG12 ' CG2' ' A' ' 56' ' ' VAL . 16.1 m -93.2 -38.89 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 119.648 1.113 . . . . 2.08 112.457 174.475 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -61.21 -31.07 70.84 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.201 -0.937 . . . . 2.64 109.764 -174.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -67.68 -14.03 62.6 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.998 1.11 . . . . 0.61 113.998 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.15 -113.66 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.284 0.947 . . . . 0.47 109.435 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.99 -48.46 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 124.701 1.201 . . . . 0.39 108.55 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.78 -5.33 86.54 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 115.859 -0.609 . . . . 0.46 113.588 -172.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.446 HG21 ' HB ' ' A' ' 26' ' ' VAL . 44.4 t -67.21 132.19 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.858 0.863 . . . . 0.56 108.697 173.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -99.14 -53.71 3.17 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.237 -1.023 . . . . 1.95 108.237 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -154.05 141.65 19.87 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.088 -1.449 . . . . 1.51 107.088 -168.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -131.99 135.16 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.364 1.466 . . . . 1.67 108.025 -172.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 6.4 mt-30 -114.99 86.79 2.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.898 1.279 . . . . 1.95 107.799 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.4 93.19 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 125.133 1.373 . . . . 1.94 107.634 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.19 74.41 3.4 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 105.744 -1.947 . . . . 0.61 105.744 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 3.8 t80 -63.56 85.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 114.297 -1.32 . . . . 3.36 108.294 169.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.14 -41.6 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 129.294 3.038 . . . . 2.32 107.65 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -110.28 23.31 14.45 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.659 0.784 . . . . 1.16 112.081 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 40.02 45.67 1.66 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.783 1.633 . . . . 4.56 110.731 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.91 133.08 37.3 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 103.138 -2.912 . . . . 1.68 103.138 -169.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 44' ' ' LEU . 1.2 mt -96.28 144.44 26.46 Favored 'General case' 0 N--CA 1.414 -2.236 0 O-C-N 125.103 1.502 . . . . 1.42 108.392 156.515 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.428 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 2.2 t -122.84 146.77 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 108.37 -0.974 . . . . 0.83 108.37 148.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -135.47 107.0 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 127.59 2.356 . . . . 1.06 105.425 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.8 108.14 20.36 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.026 -1.101 . . . . 2.27 108.026 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.73 150.64 43.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.212 1.005 . . . . 0.59 111.036 -167.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.38 59.26 1.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.008 1.323 . . . . 2.01 108.814 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 p30 159.41 166.85 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.309 2.243 . . . . 1.78 109.859 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -91.8 81.87 5.21 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.563 2.345 . . . . 4.57 110.913 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -106.77 16.8 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.185 0.994 . . . . 0.66 112.437 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HD2' ' CD1' ' A' ' 6' ' ' TYR . 5.4 mtp-105 -70.34 -44.4 68.25 Favored 'General case' 0 CA--C 1.507 -0.675 0 O-C-N 120.629 -1.294 . . . . 3.13 111.037 -160.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.32 67.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.745 -0.465 . . . . 0.37 109.745 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -41.08 73.79 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 120.95 -1.094 . . . . 2.52 108.231 174.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.821 HG11 ' CE3' ' A' ' 8' ' ' TRP . 1.2 t -57.5 -56.2 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 108.786 -0.82 . . . . 1.65 108.786 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -48.85 80.04 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.803 -1.184 . . . . 3.26 107.803 -167.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.7 t -51.32 -49.23 61.76 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.464 0.478 . . . . 0.74 110.248 176.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.74 -52.92 63.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.155 0.582 . . . . 0.38 112.144 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.566 HD12 HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -60.86 -44.35 97.15 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.502 0.667 . . . . 1.12 110.191 -178.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.06 -49.41 77.45 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.049 -0.723 . . . . 2.27 109.049 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.62 -43.75 97.14 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 123.244 0.34 . . . . 6.61 111.187 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.52 -40.44 65.45 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.786 0.834 . . . . 0.6 110.716 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.91 55.68 0.11 Allowed Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.718 -0.953 . . . . 0.49 110.718 167.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -131.12 168.65 17.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.325 0.65 . . . . 1.92 110.285 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.2 p -117.64 135.79 53.75 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 105.926 -1.879 . . . . 2.35 105.926 168.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.472 HD13 ' HD1' ' A' ' 8' ' ' TRP . 3.5 pp -141.15 165.42 27.57 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.441 -1.689 . . . . 1.28 106.441 176.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -135.63 126.78 28.07 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 104.413 -2.439 . . . . 4.43 104.413 165.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.79 107.7 0.08 Allowed 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.225 1.41 . . . . 3.18 111.964 177.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.9 171.78 8.56 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 107.203 -1.406 . . . . 2.3 107.203 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 122.217 1.008 . . . . 4.41 110.536 -167.401 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.9 m . . . . . 0 CA--C 1.511 -0.537 0 CA-C-O 121.961 0.886 . . . . 1.28 111.766 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.413 ' CG ' HG13 ' A' ' 45' ' ' VAL . 17.4 ttm180 -96.08 127.02 41.71 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 112.866 -1.97 . . . . 3.24 107.377 177.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.652 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 7.5 m-85 -105.41 123.55 48.06 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 127.422 2.289 . . . . 2.34 111.963 170.126 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 m -100.53 150.36 22.76 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 118.62 0.645 . . . . 1.93 109.57 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.881 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -136.56 161.34 36.16 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.497 1.519 . . . . 1.13 109.051 165.476 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -111.4 110.03 20.29 Favored 'General case' 0 C--N 1.338 0.078 0 N-CA-C 106.132 -1.803 . . . . 2.04 106.132 174.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.408 HG21 HD23 ' A' ' 44' ' ' LEU . 1.5 t -98.8 174.41 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.417 -0.957 . . . . 1.27 108.417 -177.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.8 111.04 4.88 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.251 -0.905 . . . . 0.89 108.894 169.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.94 -24.17 4.31 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.901 0.762 . . . . 1.02 112.599 172.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.2 tmm? -69.12 85.79 0.37 Allowed 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.82 -0.812 . . . . 2.12 109.718 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -147.52 65.35 1.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.05 0.453 . . . . 3.27 111.713 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 m -141.59 -91.71 0.14 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.015 0.526 . . . . 2.31 111.845 172.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.33 -66.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.865 0.866 . . . . 2.2 109.026 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.51 62.56 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.841 0.456 . . . . 0.96 110.893 176.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -69.17 -40.2 78.27 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.902 -0.777 . . . . 2.96 108.902 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -61.03 -41.49 96.66 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 118.073 0.397 . . . . 0.61 110.17 176.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -61.41 -53.38 57.37 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 118.443 -1.303 . . . . 2.59 110.817 172.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -48.86 -39.48 25.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 121.07 -1.018 . . . . 3.88 111.777 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.962 HG11 HD21 ' A' ' 44' ' ' LEU . 55.0 t -58.61 -63.11 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 118.597 0.635 . . . . 0.49 112.51 170.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.586 ' O ' HG22 ' A' ' 26' ' ' VAL . 12.1 pt-20 -59.02 -41.15 87.04 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 107.376 -1.342 . . . . 1.77 107.376 -170.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -66.07 -32.91 74.66 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.403 1.081 . . . . 0.61 110.944 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.61 -21.4 26.65 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 118.42 -0.8 . . . . 0.47 111.865 168.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.611 HG12 HG13 ' A' ' 56' ' ' VAL . 3.9 m -103.82 -42.26 7.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.259 0 CA-C-N 118.983 0.81 . . . . 1.93 113.021 177.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -60.83 -24.98 66.29 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.261 -0.899 . . . . 2.63 110.94 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -69.34 -14.21 62.8 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 118.663 -0.684 . . . . 0.5 112.687 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -112.49 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.094 0.958 . . . . 0.7 109.481 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.09 -47.76 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 125.007 1.323 . . . . 0.43 108.647 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.84 -20.37 65.72 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.739 -0.664 . . . . 0.49 113.399 -172.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.86 134.15 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 123.532 0.733 . . . . 0.46 109.259 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -103.16 -57.71 2.0 Allowed 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 107.492 -1.299 . . . . 2.16 107.492 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -132.61 161.59 33.48 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 106.732 -1.581 . . . . 1.35 106.732 -172.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -156.85 141.6 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 107.625 -1.25 . . . . 1.45 107.625 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -135.78 104.03 5.61 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 107.759 -1.2 . . . . 1.71 107.759 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.37 123.2 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 127.193 2.197 . . . . 1.59 105.611 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.9 tp -118.73 116.91 27.54 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.025 -0.732 . . . . 0.58 109.025 -175.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 22.4 m-85 -64.81 165.27 10.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.029 0.932 . . . . 2.76 112.09 171.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.23 -49.22 0.64 Allowed 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 126.548 1.939 . . . . 1.3 111.755 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -84.89 9.15 15.13 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.3 1.44 . . . . 0.96 112.047 177.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 32.72 42.28 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.382 2.273 . . . . 4.52 114.159 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.66 132.7 50.59 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.384 -0.598 . . . . 1.31 109.384 -169.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.962 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -103.83 122.78 45.85 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 106.132 -1.803 . . . . 1.59 106.132 168.664 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.413 HG13 ' CG ' ' A' ' 5' ' ' ARG . 14.4 t -125.95 119.69 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 124.153 0.908 . . . . 0.71 109.228 163.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.9 t -116.61 131.31 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 124.556 1.142 . . . . 0.49 109.413 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.14 99.59 7.34 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 125.456 1.503 . . . . 3.14 107.832 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.525 ' HB3' ' HE2' ' A' ' 6' ' ' TYR . . . -123.34 175.92 6.43 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.039 0.936 . . . . 1.03 110.401 -175.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.97 53.38 1.71 Allowed 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.272 1.029 . . . . 1.76 109.713 -175.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.469 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 13.4 p-10 -177.29 -41.92 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.501 -0.749 . . . . 2.86 112.926 -169.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.254 9.3 t0 81.59 121.46 0.05 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 127.856 2.462 . . . . 3.36 110.795 -172.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.464 HD13 HG23 ' A' ' 56' ' ' VAL . 1.5 pp -149.27 31.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 C-N-CA 125.58 1.552 . . . . 0.58 107.247 -175.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.0 mtm-85 -61.96 -47.75 83.44 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 121.36 -0.837 . . . . 2.61 111.288 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.99 59.49 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.543 0.527 . . . . 0.29 110.868 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -76.27 -44.14 38.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.083 -0.71 . . . . 2.63 109.083 -175.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.881 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 52.4 t -65.15 -48.19 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 107.993 -1.114 . . . . 0.39 107.993 178.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -47.1 -60.22 2.61 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.102 -0.952 . . . . 2.3 111.02 171.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 t -47.94 -45.76 31.42 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.276 0.944 . . . . 0.56 110.355 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 -54.49 44.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.279 0.474 . . . . 0.41 112.279 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.646 HD12 HG12 ' A' ' 56' ' ' VAL . 7.3 mt -60.03 -45.2 93.59 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.786 0.835 . . . . 1.03 111.154 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.24 -51.41 68.22 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.848 -0.797 . . . . 2.32 108.848 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -66.82 -37.38 84.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.996 -0.282 . . . . 3.98 111.512 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.03 79.6 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 124.06 0.944 . . . . 0.68 110.37 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.4 43.39 0.29 Allowed Glycine 0 C--N 1.336 0.534 0 C-N-CA 124.08 0.848 . . . . 0.54 111.547 167.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -130.93 125.67 34.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.732 -0.84 . . . . 1.91 108.732 175.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -80.56 119.47 23.26 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 106.349 -1.722 . . . . 1.5 106.349 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.476 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.8 pp -119.38 -179.16 3.78 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.447 0.699 . . . . 0.79 109.456 170.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -134.79 140.45 45.9 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 104.129 -2.545 . . . . 5.33 104.129 165.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.96 128.68 38.1 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.204 -1.776 . . . . 3.42 106.204 168.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.56 176.5 5.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 124.435 1.084 . . . . 2.71 109.787 168.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 121.523 0.678 . . . . 3.43 109.969 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 110.613 -0.143 . . . . 0.89 110.613 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -96.34 119.23 34.45 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 124.744 1.277 . . . . 3.17 108.967 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.817 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 22.0 m-85 -107.31 132.02 53.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 117.614 -1.184 . . . . 2.22 113.298 170.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.0 t -109.18 151.37 26.56 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 124.556 1.142 . . . . 2.05 110.697 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.896 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.3 m-90 -143.93 169.57 17.55 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.292 1.437 . . . . 1.11 112.093 169.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -117.61 96.94 5.61 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.999 1.719 . . . . 1.87 108.26 -173.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.08 114.96 38.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 123.314 0.646 . . . . 1.45 109.698 -166.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -114.37 77.53 1.07 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.304 -0.628 . . . . 1.09 109.304 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.3 -35.74 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.377 -0.689 . . . . 1.0 111.377 -176.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -67.04 95.1 0.37 Allowed 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 122.144 -0.621 . . . . 2.28 110.411 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.513 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 31.8 t0 -140.93 85.35 1.98 Allowed 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 123.448 0.467 . . . . 3.75 110.037 170.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.64 140.78 0.06 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.16 1.384 . . . . 2.47 108.918 167.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 61.61 0.66 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.855 1.262 . . . . 2.73 110.946 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.57 -51.33 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 127.263 2.225 . . . . 1.13 107.495 -172.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 m -68.6 -30.37 69.09 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.692 -0.855 . . . . 2.41 108.692 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.09 -56.46 7.74 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.817 0.447 . . . . 0.75 110.927 166.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 17.5 mtt-85 -56.26 -42.86 78.08 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 121.706 -0.622 . . . . 3.86 110.734 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.53 -37.3 3.44 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.139 0.427 . . . . 2.86 111.458 178.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.152 HG11 HD21 ' A' ' 44' ' ' LEU . 39.8 t -66.51 -57.87 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 118.589 0.631 . . . . 0.83 112.158 175.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 8.8 pt-20 -56.63 -40.53 75.55 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 106.888 -1.523 . . . . 2.01 106.888 -174.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -69.44 -36.63 76.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.388 -0.82 . . . . 0.53 110.658 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.31 -21.46 35.13 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.398 1.079 . . . . 0.47 112.238 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.7 m -107.14 -36.54 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 119.07 0.85 . . . . 1.92 113.05 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -57.25 -27.46 62.09 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.046 0.938 . . . . 2.39 109.972 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -72.56 -14.74 61.7 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.615 0.969 . . . . 0.59 113.615 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -111.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.928 0.891 . . . . 0.62 110.251 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.15 -52.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.752 1.221 . . . . 0.37 108.207 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.69 -24.13 70.82 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-N 115.339 -0.846 . . . . 0.62 112.591 -173.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -55.41 121.78 3.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 124.537 1.135 . . . . 0.71 110.051 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -98.05 -52.78 3.58 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.694 -0.854 . . . . 2.08 108.694 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -152.31 117.52 5.23 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.549 -0.908 . . . . 1.67 108.549 -167.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -112.65 135.93 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.327 1.451 . . . . 1.48 108.257 -177.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -118.7 109.01 15.6 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.713 -1.218 . . . . 2.68 107.713 170.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 m -94.57 103.97 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 106.696 -1.594 . . . . 1.55 106.696 171.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.6 tp -98.12 80.9 2.74 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 105.419 -2.067 . . . . 0.49 105.419 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.513 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.6 t80 -62.99 82.78 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 113.949 -1.478 . . . . 3.36 108.276 172.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.0 -42.37 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 127.37 2.268 . . . . 1.85 109.448 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -106.87 31.79 5.05 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.919 0.888 . . . . 1.25 110.154 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 37.71 28.68 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.068 2.547 . . . . 5.37 114.195 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.5 129.39 55.56 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.165 -1.42 . . . . 1.33 107.165 -164.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 1.152 HD21 HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -106.3 125.16 50.66 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 116.574 -1.679 . . . . 1.3 106.865 165.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.6 t -127.13 136.48 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 O-C-N 124.299 0.999 . . . . 0.67 111.267 165.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.2 t -133.61 113.67 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 106.6 -1.63 . . . . 0.53 106.6 -176.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.69 112.67 24.46 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.821 -1.548 . . . . 2.58 106.821 174.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.07 143.26 44.54 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.692 1.197 . . . . 0.59 111.54 -168.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -83.92 58.96 4.97 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.322 1.049 . . . . 2.51 109.71 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.02 158.49 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.063 2.145 . . . . 1.76 108.639 173.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.18 122.1 23.84 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.333 -0.547 . . . . 3.21 109.754 169.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.495 HD13 HG23 ' A' ' 56' ' ' VAL . 2.2 pp -143.42 31.77 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.622 -0.881 . . . . 0.53 108.622 177.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 38.9 mtm-85 -64.74 -49.11 72.08 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 121.479 -0.763 . . . . 2.87 110.256 -171.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.07 -30.59 62.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 123.698 0.623 . . . . 0.29 110.41 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -50.76 26.66 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.63 -0.508 . . . . 3.2 109.63 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.896 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 65.4 t -61.8 -49.09 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 107.797 -1.186 . . . . 0.43 107.797 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -50.16 -57.26 8.12 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 117.618 -1.182 . . . . 2.74 110.935 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -52.75 -44.24 66.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.531 1.514 . . . . 0.69 110.706 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.12 -50.08 74.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.642 0.377 . . . . 0.26 111.395 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.742 HD21 HG13 ' A' ' 22' ' ' VAL . 80.0 mt -65.37 -41.61 93.6 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.687 0.795 . . . . 1.06 110.844 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -51.04 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.621 0.768 . . . . 2.43 109.191 174.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -60.79 -47.32 86.87 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.494 0.183 . . . . 6.37 111.494 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.2 67.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.819 0.847 . . . . 0.51 111.058 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.46 50.81 0.17 Allowed Glycine 0 CA--C 1.523 0.576 0 C-N-CA 124.468 1.033 . . . . 0.72 111.274 169.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -131.11 148.17 52.7 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 117.514 0.657 . . . . 2.1 110.848 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 p -104.21 132.09 50.82 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.239 1.415 . . . . 2.32 107.742 173.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -155.96 165.34 36.75 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.25 2.22 . . . . 1.48 107.255 179.814 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -142.07 72.03 1.37 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 118.138 -0.934 . . . . 3.88 109.663 -169.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t0 9.91 74.21 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.253 2.221 . . . . 3.19 114.399 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -77.25 156.72 31.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.97 0.891 . . . . 3.05 109.178 -170.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 . . . . . 0 N--CA 1.448 -0.553 0 CA-C-N 115.379 -0.828 . . . . 5.73 111.042 179.23 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.491 0.186 . . . . 0.89 110.936 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -99.24 118.28 35.59 Favored 'General case' 0 N--CA 1.439 -1.008 0 O-C-N 124.783 1.302 . . . . 3.28 108.969 177.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.642 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 16.5 m-85 -97.75 148.7 23.1 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 124.47 1.108 . . . . 2.01 112.728 166.801 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.473 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 20.0 m -125.64 150.46 47.56 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.098 0.959 . . . . 2.04 110.232 174.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.802 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -136.91 169.89 17.01 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.468 1.507 . . . . 1.06 108.128 170.727 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.28 126.83 53.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 104.35 -2.463 . . . . 1.94 104.35 170.145 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.1 t -120.75 147.74 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 120.271 1.396 . . . . 1.05 107.366 -176.529 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.74 102.56 5.72 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.745 -1.576 . . . . 1.06 106.745 175.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.32 -25.64 0.88 Allowed Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.656 -0.525 . . . . 1.0 113.187 173.226 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.85 69.85 0.71 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.341 1.07 . . . . 1.96 112.731 179.366 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 5.6 m-20 -108.82 58.47 0.61 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.765 0.426 . . . . 4.66 111.591 -176.432 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -170.57 149.38 3.22 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.937 -0.477 . . . . 2.35 111.463 168.804 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 60.62 1.29 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.389 1.076 . . . . 2.69 111.548 178.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.36 -54.77 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 126.725 2.01 . . . . 1.3 107.056 -175.664 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.4 m -63.54 -34.5 77.93 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.335 -0.987 . . . . 2.35 108.335 170.579 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.34 -41.35 19.22 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.537 0.735 . . . . 1.02 111.922 167.711 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.62 -47.0 34.61 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 118.902 0.774 . . . . 2.68 109.13 175.712 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -49.38 -35.77 19.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.103 0.865 . . . . 3.46 112.325 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.9 t -54.07 -61.01 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 123.887 0.875 . . . . 0.57 110.744 170.023 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.76 -37.94 87.73 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 119.603 -0.839 . . . . 2.18 108.892 -175.331 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -65.74 -34.48 78.27 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 120.709 -1.244 . . . . 0.59 110.175 -177.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.5 -20.92 49.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.059 0.544 . . . . 0.38 112.462 170.104 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 56' ' ' VAL . 48.3 t -100.72 -44.89 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 125.832 1.653 . . . . 1.72 109.668 -177.66 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -61.94 -32.96 73.43 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 120.693 -1.254 . . . . 2.7 109.92 -175.126 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.05 -13.59 17.74 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.733 1.383 . . . . 0.68 114.733 175.468 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.81 -115.66 0.0 OUTLIER 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.659 1.118 . . . . 0.84 110.404 177.886 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.53 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.157 0.503 . . . . 0.34 109.831 -176.244 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -19.67 79.76 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 115.61 -0.723 . . . . 0.38 112.309 -176.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.92 142.67 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.694 1.198 . . . . 0.48 109.557 172.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -127.58 -43.54 1.57 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 119.069 -0.491 . . . . 2.89 111.063 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -134.12 150.13 51.12 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.432 -0.951 . . . . 1.32 108.432 -177.004 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.4 t -142.72 143.0 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 124.051 0.94 . . . . 2.48 108.507 -175.593 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.408 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 21.9 mt-30 -134.69 89.9 2.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.787 1.635 . . . . 1.69 108.961 -175.732 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.404 HG22 HD21 ' A' ' 44' ' ' LEU . 6.1 t -91.69 100.45 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 125.903 1.681 . . . . 2.23 108.948 173.695 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -98.26 71.41 2.08 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 106.243 -1.762 . . . . 0.58 106.243 172.132 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -52.77 117.62 3.06 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 106.257 -1.757 . . . . 3.46 106.257 160.64 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 127.04 -33.27 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 128.974 2.91 . . . . 1.59 110.106 -171.272 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m -117.49 5.06 12.44 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.445 0.698 . . . . 1.01 110.372 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 49.49 37.82 13.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.66 1.584 . . . . 3.68 113.515 169.597 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.01 125.93 36.52 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 105.284 -2.117 . . . . 1.37 105.284 -178.756 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -98.79 140.55 32.82 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 105.714 -1.958 . . . . 1.45 105.714 178.027 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.408 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 36.8 t -125.4 144.54 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 118.492 0.587 . . . . 0.7 110.686 163.661 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.6 t -139.97 117.89 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 107.313 -1.366 . . . . 0.38 107.313 -178.282 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -98.56 109.54 22.28 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.41 -1.7 . . . . 2.08 106.41 174.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.23 125.49 13.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.276 1.03 . . . . 0.92 109.347 -169.548 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -88.22 58.07 4.58 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.705 -0.479 . . . . 2.38 109.705 -168.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 175.23 175.71 0.21 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 127.071 2.148 . . . . 1.63 108.44 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -88.08 107.67 18.87 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.894 1.678 . . . . 4.89 110.336 175.763 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.85 19.25 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 O-C-N 121.491 -0.756 . . . . 0.61 112.655 175.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -63.22 -48.58 77.7 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.678 -1.264 . . . . 3.48 110.65 -170.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.95 -32.98 64.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 123.972 0.795 . . . . 0.28 110.76 172.495 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -75.59 -45.85 35.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.184 -0.673 . . . . 2.79 109.184 -175.024 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.802 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 42.4 t -65.82 -46.54 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 N-CA-C 109.142 -0.688 . . . . 0.43 109.142 178.416 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -48.97 -60.59 2.64 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 117.643 -1.17 . . . . 2.45 110.66 170.411 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -46.73 -47.84 20.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.768 1.167 . . . . 0.55 110.72 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.12 81.97 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.604 0.762 . . . . 0.3 112.498 178.454 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.455 HD12 HG12 ' A' ' 56' ' ' VAL . 22.2 mt -69.49 -44.84 70.28 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.8 0.84 . . . . 1.01 110.048 -177.609 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -55.55 26.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.94 -0.763 . . . . 2.27 108.94 175.579 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -19.7 62.22 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.987 -0.445 . . . . 5.31 112.039 -178.376 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.73 -19.7 65.81 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.228 -0.92 . . . . 0.47 111.768 167.723 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.03 51.29 1.01 Allowed Glycine 0 C--N 1.338 0.64 0 N-CA-C 110.735 -0.946 . . . . 0.57 110.735 175.152 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -132.7 176.68 8.25 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.829 0.852 . . . . 1.95 108.884 171.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.7 m -126.32 137.81 53.52 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.174 -1.417 . . . . 1.68 107.174 166.362 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.511 HD12 ' C ' ' A' ' 67' ' ' LEU . 2.9 pp -144.34 176.17 9.56 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.505 1.122 . . . . 0.77 108.492 173.051 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.73 151.82 51.89 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.129 -1.804 . . . . 4.41 106.129 162.426 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -81.64 90.77 6.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.147 0.979 . . . . 2.53 111.134 -168.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.61 157.82 33.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 120.917 -1.115 . . . . 2.6 113.565 -173.678 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 C--N 1.323 -0.544 0 C-N-CA 125.128 1.371 . . . . 5.79 112.581 169.266 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.081 -0.711 . . . . 1.03 109.081 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 ttm105 -114.19 135.54 53.93 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.8 1.24 . . . . 3.53 108.24 170.567 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.686 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.0 m-85 -118.27 142.9 47.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.33 1.452 . . . . 1.99 111.668 171.634 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.416 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 6.7 m -122.14 146.4 47.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.12 1.368 . . . . 2.13 110.064 -177.27 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.88 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.1 m-90 -137.47 158.67 43.9 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.96 0.904 . . . . 1.06 110.49 172.269 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 121.34 43.72 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 104.914 -2.254 . . . . 2.13 104.914 167.638 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -107.22 163.47 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 N-CA-C 107.525 -1.287 . . . . 1.07 107.525 175.789 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.18 101.16 3.58 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.665 -1.235 . . . . 0.92 107.665 173.543 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.96 -40.45 0.8 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.617 -0.593 . . . . 0.84 111.617 177.166 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 22' ' ' VAL . 15.1 ptt? -72.1 104.82 3.72 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 119.145 -0.455 . . . . 1.93 109.892 -177.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -155.51 66.09 0.62 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.654 0.661 . . . . 2.83 110.892 168.482 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 m -145.0 -94.81 0.1 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.076 0.551 . . . . 2.28 110.657 175.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.89 -59.01 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.445 1.098 . . . . 1.99 109.079 -175.749 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.13 -40.54 61.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.371 0.605 . . . . 0.94 110.872 173.009 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.5 m -70.1 -34.01 72.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.863 -0.792 . . . . 1.81 108.863 -178.924 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.747 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -58.7 -46.02 88.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.075 -0.713 . . . . 0.68 109.075 176.906 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 33.0 mtt180 -63.0 -52.6 62.34 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.36 -0.936 . . . . 3.31 109.73 176.649 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -47.49 -40.46 18.53 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.328 -0.858 . . . . 4.67 112.59 179.034 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' SD ' ' A' ' 13' ' ' MET . 68.3 t -62.18 -60.39 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 124.683 1.193 . . . . 0.62 110.918 174.058 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.5 pt-20 -58.85 -44.49 91.03 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.818 -1.179 . . . . 2.02 107.818 -173.745 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.437 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 8.7 m-80 -60.18 -40.4 89.84 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.421 1.089 . . . . 1.02 109.268 -177.598 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -22.35 30.47 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.044 0.757 . . . . 0.57 113.044 172.223 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -92.52 -45.93 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.484 1.114 . . . . 1.57 110.174 171.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -61.68 -29.39 70.05 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 120.265 -1.522 . . . . 3.43 110.679 -172.235 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -60.87 -13.36 15.13 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.756 1.021 . . . . 1.26 113.756 176.669 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.81 -123.07 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.482 1.037 . . . . 0.71 109.284 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.66 -49.03 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 123.738 0.815 . . . . 0.29 109.253 -177.05 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.49 -13.17 83.81 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 115.905 -0.589 . . . . 0.44 112.718 -177.863 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.0 t -53.54 137.56 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.513 0.725 . . . . 0.6 110.084 167.924 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.55 -48.99 3.65 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.24 -1.022 . . . . 2.14 108.24 173.791 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -160.72 154.41 22.36 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.903 -1.517 . . . . 1.25 106.903 -168.379 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.06 145.13 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 124.426 1.09 . . . . 2.08 108.95 -169.322 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.43 99.08 5.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.7 0.8 . . . . 3.72 110.6 173.297 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.416 HG22 HD21 ' A' ' 44' ' ' LEU . 9.9 t -93.43 116.98 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 126.46 1.904 . . . . 2.08 106.819 167.544 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.7 tp -128.44 115.69 18.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.768 -1.568 . . . . 0.69 106.768 174.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 40.8 m-85 -66.67 169.57 7.62 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.446 0.698 . . . . 2.35 111.371 174.438 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 78.32 -46.5 0.43 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 127.477 2.311 . . . . 1.19 109.637 174.394 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m -74.48 -16.22 60.86 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.783 -0.451 . . . . 0.98 109.783 166.141 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.84 42.95 16.79 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.921 1.289 . . . . 3.89 110.839 -178.753 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 130.74 53.05 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 106.843 -1.54 . . . . 1.29 106.843 -171.046 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.513 ' HA ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -101.24 138.92 37.62 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.132 -1.062 . . . . 1.17 108.132 178.366 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.1 t -126.37 147.13 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 O-C-N 124.264 0.977 . . . . 0.68 110.492 160.258 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.5 t -136.9 120.31 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 C-N-CA 125.159 1.384 . . . . 0.43 107.592 176.298 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.74 116.66 33.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.755 1.222 . . . . 2.36 107.843 176.21 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -146.66 151.15 36.78 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.304 1.442 . . . . 0.68 109.931 -167.438 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.94 52.46 0.82 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.128 0.966 . . . . 2.25 111.272 -174.492 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 167.87 165.34 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 104.942 -2.244 . . . . 2.53 104.942 -169.286 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -93.41 130.12 39.32 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 120.44 1.473 . . . . 3.3 109.708 170.262 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.402 HD13 HG23 ' A' ' 56' ' ' VAL . 1.7 pp -143.25 32.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 124.04 0.838 . . . . 0.48 109.581 173.552 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 mtm-85 -66.07 -48.26 71.56 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.975 -1.078 . . . . 2.78 110.366 -172.652 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.48 -35.14 52.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.841 0.713 . . . . 0.32 110.409 171.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -42.45 43.54 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.564 -0.532 . . . . 2.63 109.564 -174.699 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.88 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 54.7 t -63.98 -51.64 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 N-CA-C 107.863 -1.162 . . . . 0.41 107.863 176.576 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -44.72 -60.13 2.17 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 118.042 -0.98 . . . . 2.41 110.613 174.404 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.8 t -46.34 -47.89 18.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.853 0.751 . . . . 0.57 110.451 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.82 53.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 112.589 0.589 . . . . 0.33 112.589 178.024 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.577 HD12 HG12 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -57.24 -47.17 82.05 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 119.607 1.094 . . . . 1.18 111.837 177.553 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -49.92 71.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.128 -0.942 . . . . 2.23 108.943 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -63.86 -42.6 97.51 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.537 -0.301 . . . . 3.96 111.145 177.875 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.47 -36.74 74.19 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.23 1.012 . . . . 0.5 111.121 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.66 54.56 0.16 Allowed Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.279 0.942 . . . . 0.7 110.994 170.391 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.523 ' CD2' HD23 ' A' ' 60' ' ' LEU . 48.1 m-85 -138.19 146.02 42.18 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.508 0.723 . . . . 2.11 109.633 177.535 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 p -94.99 124.71 39.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.297 -1.372 . . . . 2.14 107.297 168.924 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 67' ' ' LEU . 3.6 pp -138.23 174.78 10.19 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 108.766 -0.827 . . . . 0.82 108.766 168.109 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.95 105.07 4.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 104.682 -2.34 . . . . 4.43 104.682 -177.872 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -28.62 98.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.205 1.802 . . . . 3.44 112.679 179.093 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -85.28 155.4 21.38 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.623 0.725 . . . . 2.41 109.161 -174.506 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.409 0 C-N-CA 125.334 1.454 . . . . 3.75 110.429 168.65 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 109.026 -0.731 . . . . 1.08 109.026 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -97.29 127.88 43.64 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.201 -1.363 . . . . 3.61 109.38 -176.794 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.82 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 18.4 m-85 -117.18 125.48 51.26 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.712 1.205 . . . . 1.95 113.423 176.235 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -97.27 143.01 28.46 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.915 1.686 . . . . 2.13 111.048 176.026 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.82 ' HZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -141.15 169.05 18.35 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.635 0.774 . . . . 1.14 111.239 159.462 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.66 105.67 13.89 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.423 2.289 . . . . 2.03 105.771 -177.088 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.445 HG21 HD23 ' A' ' 44' ' ' LEU . 5.4 t -100.84 129.13 52.21 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 120.243 1.383 . . . . 1.28 108.843 -170.335 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.16 96.24 5.24 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.808 -1.182 . . . . 0.94 107.808 -177.366 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.88 -35.74 0.62 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.841 -0.904 . . . . 0.76 110.841 175.275 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -71.6 128.15 34.89 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 118.941 -0.552 . . . . 1.91 110.583 177.842 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -175.59 83.61 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.373 1.869 . . . . 3.03 108.699 162.014 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.64 -88.27 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.693 -0.629 . . . . 2.22 110.764 172.584 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.36 -57.72 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.179 0.992 . . . . 2.2 109.262 -177.409 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.46 -33.72 45.71 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.247 0.619 . . . . 1.26 110.943 173.74 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.8 m -72.92 -40.13 65.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.587 -0.894 . . . . 1.72 108.587 -177.435 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.9 -44.11 97.58 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.608 -0.516 . . . . 0.63 109.608 176.148 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 28.1 mtt85 -59.37 -52.01 67.47 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 118.572 -1.251 . . . . 3.04 110.811 172.766 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -45.83 -47.2 15.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.334 0.97 . . . . 2.79 111.678 176.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.706 ' CG1' HD21 ' A' ' 44' ' ' LEU . 47.6 t -57.96 -61.77 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 118.372 0.533 . . . . 0.8 111.594 175.361 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 26' ' ' VAL . 10.9 pt-20 -60.8 -41.75 96.27 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 106.445 -1.687 . . . . 2.07 106.445 -167.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -66.03 -36.83 84.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.507 1.123 . . . . 0.83 110.292 -179.131 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.1 47.06 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.109 -0.948 . . . . 0.44 112.492 170.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 23' ' ' GLU . 22.2 m -102.45 -38.14 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 119.694 1.133 . . . . 2.1 112.449 174.588 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -59.29 -27.92 66.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.368 1.067 . . . . 2.91 110.086 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.89 -13.82 62.16 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.358 0.873 . . . . 0.49 113.358 178.104 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -119.76 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.708 0.685 . . . . 0.56 109.748 178.848 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.57 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.769 0.828 . . . . 0.39 108.993 -175.587 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.68 -26.37 65.31 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 112.009 -0.436 . . . . 0.81 112.009 -176.495 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.4 t -56.49 138.29 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 124.664 1.186 . . . . 0.53 109.84 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -140.64 -46.48 0.41 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 119.048 -0.501 . . . . 2.71 111.843 177.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -125.02 80.46 1.88 Allowed 'General case' 0 C--O 1.227 -0.108 0 CA-C-O 122.316 1.055 . . . . 1.84 109.278 -174.441 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.53 140.35 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.67 -0.695 . . . . 1.41 109.837 173.572 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -129.8 105.56 8.1 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.098 -1.075 . . . . 2.17 108.098 166.703 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.7 t -93.47 118.46 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 105.832 -1.914 . . . . 2.02 105.832 174.498 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.4 tp -127.33 111.3 13.74 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.264 -0.643 . . . . 0.62 109.264 -178.384 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 39.9 m-85 -62.63 165.25 6.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.112 -0.949 . . . . 2.32 111.562 172.322 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.02 -45.51 0.53 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 127.917 2.487 . . . . 1.14 110.717 172.59 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.8 p -73.93 -17.49 61.01 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.88 -0.513 . . . . 2.18 110.654 162.257 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 52.32 44.01 30.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.298 1.039 . . . . 4.15 111.172 -178.705 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.86 129.41 51.35 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.134 -1.061 . . . . 1.3 108.134 -175.694 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.706 HD21 ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -97.26 120.99 38.64 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 104.928 -2.249 . . . . 1.41 104.928 164.108 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 t -123.38 128.31 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 O-C-N 123.995 0.809 . . . . 0.66 110.874 157.166 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.411 HG21 HG11 ' A' ' 26' ' ' VAL . 76.7 t -120.25 118.94 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 124.76 1.224 . . . . 0.48 108.035 173.844 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -97.66 119.8 36.89 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.263 -1.014 . . . . 3.43 108.263 168.058 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.46 140.58 37.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.481 1.112 . . . . 0.6 110.043 -170.608 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.51 58.8 4.86 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 121.06 0.457 . . . . 2.07 109.924 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.0 p30 172.18 177.38 0.08 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 127.355 2.262 . . . . 1.71 108.072 176.177 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -87.23 127.03 35.17 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 108.29 -1.004 . . . . 3.15 108.29 162.138 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.404 HD13 ' CG2' ' A' ' 56' ' ' VAL . 1.5 pp -138.39 21.97 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.272 1.029 . . . . 0.78 110.449 168.272 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.92 -45.91 90.27 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.813 1.642 . . . . 3.21 111.381 -167.594 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.87 70.99 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 124.046 0.842 . . . . 0.27 109.921 175.227 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -72.27 -47.6 48.89 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 121.63 -0.668 . . . . 2.36 110.191 -178.472 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.765 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 53.7 t -65.41 -45.29 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 N-CA-C 107.578 -1.267 . . . . 0.41 107.578 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' CG ' HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -48.47 -58.17 5.05 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 118.798 -0.62 . . . . 3.08 110.834 174.566 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -53.69 -47.52 70.38 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.03 0.443 . . . . 0.64 110.049 -178.157 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.0 63.2 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.505 0.722 . . . . 0.43 112.24 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.94 -52.15 65.15 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.142 1.777 . . . . 2.11 109.447 177.802 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.32 -52.92 61.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.502 -0.925 . . . . 2.21 108.502 -178.424 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -58.5 -43.47 89.08 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.511 0.507 . . . . 3.69 111.165 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.77 -36.98 62.98 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.48 1.112 . . . . 0.71 110.599 -179.432 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.44 50.39 0.07 OUTLIER Glycine 0 C--N 1.335 0.525 0 N-CA-C 110.383 -1.087 . . . . 0.76 110.383 166.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -130.91 -173.91 3.22 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 122.434 1.111 . . . . 2.22 110.239 179.229 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.3 m -144.68 141.64 29.48 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 105.056 -2.202 . . . . 1.85 105.056 164.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.582 HD13 ' CD1' ' A' ' 8' ' ' TRP . 3.2 pp -146.85 165.41 29.82 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 126.811 2.045 . . . . 0.99 105.629 -177.616 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -133.1 122.9 24.77 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 102.132 -3.284 . . . . 3.78 102.132 177.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -49.48 109.76 0.31 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.285 1.434 . . . . 3.84 109.011 -178.528 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.76 -178.82 5.86 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.155 -1.795 . . . . 2.39 106.155 -178.795 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.712 0.768 . . . . 3.8 110.741 168.147 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 CA--C 1.511 -0.552 0 CA-C-O 121.516 0.674 . . . . 1.07 109.666 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -107.48 120.93 43.54 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-N 112.701 -2.045 . . . . 3.73 107.934 -171.479 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.674 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 31.6 m-85 -113.68 123.29 49.55 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 125.686 1.594 . . . . 1.86 112.512 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.0 t -100.68 149.87 23.33 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.481 1.512 . . . . 2.14 111.461 177.328 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.904 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.4 m-90 -141.19 157.18 45.61 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.683 1.593 . . . . 1.05 109.511 167.252 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.54 107.73 18.36 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.818 1.647 . . . . 1.95 107.648 175.552 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.59 121.41 51.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 119.164 0.893 . . . . 1.43 109.304 -169.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -107.28 99.66 9.18 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 106.599 -1.63 . . . . 0.92 106.599 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.3 -38.93 0.88 Allowed Glycine 0 C--N 1.335 0.52 0 N-CA-C 111.371 -0.692 . . . . 0.73 111.371 176.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.3 ptt? -69.88 110.59 5.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 120.272 -0.571 . . . . 1.94 110.676 -178.822 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -159.26 90.19 0.95 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.357 1.063 . . . . 2.83 108.456 166.776 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.36 -89.17 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.639 0.776 . . . . 2.28 110.09 169.012 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.35 -59.81 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 125.894 1.678 . . . . 2.26 107.232 -178.055 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.31 41.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.439 -0.801 . . . . 0.88 111.115 172.403 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 m -71.24 -41.15 70.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.018 -0.734 . . . . 1.73 109.018 -177.142 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.1 -45.45 92.9 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.363 -0.606 . . . . 0.64 109.363 176.316 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 92.9 mtt180 -59.69 -53.71 54.79 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.589 -0.844 . . . . 2.84 110.215 175.677 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -47.42 -44.2 24.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 121.311 -0.868 . . . . 3.67 111.217 178.406 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.07 -60.69 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 118.858 0.754 . . . . 0.63 111.71 173.071 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.2 pt-20 -62.75 -36.01 81.67 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.383 -0.969 . . . . 1.73 108.383 -170.305 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -70.03 -34.16 72.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.639 1.175 . . . . 0.49 110.339 178.608 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.617 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -59.98 -26.21 65.85 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.858 0.863 . . . . 0.44 111.813 166.935 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.547 HG22 HG13 ' A' ' 56' ' ' VAL . 78.6 t -89.87 -40.9 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 C-N-CA 124.718 1.207 . . . . 1.67 111.236 175.556 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -67.6 -34.41 76.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 119.698 -1.877 . . . . 2.54 109.28 -173.538 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.71 -13.01 19.23 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.818 1.414 . . . . 0.59 114.818 177.678 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.03 -107.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.807 1.185 . . . . 0.63 110.133 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.62 -50.55 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.598 1.159 . . . . 0.47 109.02 179.223 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.0 -5.0 90.45 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-N 115.467 -0.788 . . . . 0.52 113.282 -171.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.37 144.19 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.598 0.759 . . . . 0.46 109.162 173.313 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -116.72 -46.08 2.76 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.722 -0.474 . . . . 2.72 109.722 173.758 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.66 162.42 39.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.072 -1.084 . . . . 1.44 108.072 -179.012 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.13 135.82 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.402 -1.333 . . . . 1.43 107.402 -170.819 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' CG ' ' HB ' ' A' ' 45' ' ' VAL . 6.8 pt20 -123.14 104.64 9.31 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 122.562 1.173 . . . . 2.65 108.085 174.54 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.462 HG12 HD21 ' A' ' 44' ' ' LEU . 1.5 m -94.11 121.94 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 105.589 -2.004 . . . . 1.65 105.589 169.219 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.3 tp -128.95 113.14 14.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.917 -1.142 . . . . 0.5 107.917 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 45.6 m-85 -65.91 164.13 15.63 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 123.889 0.743 . . . . 2.28 111.215 173.382 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.66 -40.95 0.48 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 128.432 2.693 . . . . 1.22 111.178 176.068 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 m -73.89 -23.92 59.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 123.452 0.701 . . . . 1.08 109.336 162.021 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 50.98 41.09 26.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.426 1.091 . . . . 4.11 110.027 -175.017 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 126.9 51.47 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 103.693 -2.706 . . . . 1.45 103.693 -176.734 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD21 HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -97.94 135.55 39.5 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 124.714 1.259 . . . . 1.1 107.672 158.792 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.413 ' HB ' ' CG ' ' A' ' 36' ' ' GLN . 2.4 t -129.75 142.86 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 O-C-N 124.425 1.078 . . . . 0.83 110.277 154.058 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.05 131.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 C-N-CA 125.105 1.362 . . . . 0.44 107.665 171.368 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -110.45 108.51 18.55 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 125.998 1.719 . . . . 2.48 106.986 177.532 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.48 138.46 41.44 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.452 -0.944 . . . . 0.5 108.452 -171.616 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.45 57.38 1.4 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 108.479 -0.934 . . . . 2.02 108.479 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.05 -40.56 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.673 0.99 . . . . 2.91 113.673 173.752 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t0 96.61 125.1 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 129.712 3.205 . . . . 3.06 111.062 -173.805 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.523 HD13 HG23 ' A' ' 56' ' ' VAL . 1.7 pp -149.93 30.46 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 125.754 1.622 . . . . 0.61 109.664 -179.024 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -58.81 -55.46 34.76 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.359 -1.463 . . . . 3.37 112.831 -171.449 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.22 -28.61 42.3 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.475 -0.784 . . . . 0.28 109.557 175.341 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -79.19 -38.86 34.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.836 -0.802 . . . . 3.05 108.836 -174.564 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.904 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 66.4 t -68.06 -50.17 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 N-CA-C 108.026 -1.101 . . . . 0.42 108.026 177.47 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -47.69 -57.54 5.41 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 118.019 -0.991 . . . . 2.32 109.571 174.98 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 t -45.85 -42.87 12.95 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.761 0.709 . . . . 0.75 110.684 177.748 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.617 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -64.46 -46.17 84.26 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.964 0.906 . . . . 0.51 111.542 -178.795 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.47 HD13 HG12 ' A' ' 56' ' ' VAL . 4.1 mp -70.65 -38.08 73.79 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.049 0.539 . . . . 1.68 110.57 -179.363 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -50.4 73.82 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.928 0.891 . . . . 3.57 108.8 176.309 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -64.65 -37.81 88.85 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.947 0.794 . . . . 5.17 111.61 175.069 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.51 91.89 Favored 'General case' 0 C--N 1.34 0.157 0 O-C-N 121.977 -0.452 . . . . 0.48 111.174 -178.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.0 57.85 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 124.318 0.961 . . . . 0.65 110.943 173.861 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -129.41 176.18 8.17 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.728 0.811 . . . . 2.13 108.946 170.373 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.4 p -126.06 133.06 51.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.123 -1.436 . . . . 2.1 107.123 166.82 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 pp -143.51 171.08 14.64 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.853 1.661 . . . . 0.83 108.681 176.214 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -134.49 116.19 14.82 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 104.724 -2.324 . . . . 3.71 104.724 169.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -46.6 92.52 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 126.276 1.83 . . . . 2.77 113.928 -173.842 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.46 166.81 16.06 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.456 -1.402 . . . . 2.96 111.968 -170.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 113.908 -1.496 . . . . 3.99 111.859 161.893 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.112 -1.07 . . . . 1.25 108.112 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -110.68 155.99 21.64 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 124.182 0.926 . . . . 6.05 110.019 170.236 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.631 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 28.4 m-85 -137.84 122.81 19.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 126.542 1.937 . . . . 2.11 106.909 -178.83 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -100.28 149.48 23.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.563 1.145 . . . . 1.86 108.051 175.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.806 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 2.7 m-90 -134.34 175.03 9.88 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.413 0.685 . . . . 1.08 109.424 166.615 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.75 113.98 15.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 105.962 -1.866 . . . . 6.14 105.962 167.202 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 t -97.32 165.5 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 108.371 -0.974 . . . . 1.03 108.371 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -128.89 117.64 21.35 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.246 -1.02 . . . . 1.11 108.246 167.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.73 -21.76 4.42 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.087 0.851 . . . . 0.86 112.486 172.212 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.4 ptm -67.43 100.6 0.86 Allowed 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.978 -0.719 . . . . 2.49 111.457 -178.743 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -160.5 68.04 0.35 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.274 0.629 . . . . 2.99 110.449 165.629 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.4 t -168.33 150.92 5.36 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.302 -0.874 . . . . 2.44 111.779 172.547 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 65.09 1.33 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.365 1.066 . . . . 3.15 112.268 -176.313 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.83 -48.91 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 127.05 2.14 . . . . 1.01 107.983 -176.622 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.94 -41.23 97.68 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.027 -1.101 . . . . 3.27 108.027 175.753 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -46.97 -54.48 10.05 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 123.595 0.559 . . . . 0.88 110.492 176.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -50.0 70.68 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 120.249 -0.581 . . . . 3.16 109.87 178.259 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -41.85 12.35 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.794 0.725 . . . . 2.82 111.807 179.115 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.73 -60.79 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 118.402 0.547 . . . . 0.62 111.732 174.412 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 26' ' ' VAL . 8.8 pt-20 -59.33 -43.18 92.76 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 107.434 -1.321 . . . . 2.2 107.434 -173.323 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.07 -36.82 85.26 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.1 0.96 . . . . 0.66 109.549 -176.112 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.31 -25.97 37.64 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 118.833 -0.603 . . . . 0.56 112.045 171.551 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 23' ' ' GLU . 2.4 m -97.56 -43.87 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 118.775 0.716 . . . . 2.18 112.875 176.772 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -61.53 -27.4 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.302 -0.874 . . . . 2.61 110.383 -175.225 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -66.45 -13.55 60.94 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.21 0.819 . . . . 0.56 113.21 176.76 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.503 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -69.95 -114.24 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.014 0.926 . . . . 0.58 109.342 -178.569 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.36 -46.89 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.365 1.066 . . . . 0.4 108.348 177.655 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.62 -19.28 79.69 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.404 -0.817 . . . . 0.44 113.265 -174.844 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.9 t -57.93 139.44 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.006 0.522 . . . . 0.51 111.142 176.035 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -104.83 -56.05 2.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.306 1.842 . . . . 2.08 106.848 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -150.76 177.44 10.09 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.888 0.875 . . . . 2.37 108.664 178.533 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.26 143.62 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 124.437 1.095 . . . . 1.52 109.335 -172.515 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -127.45 94.11 3.9 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.423 1.489 . . . . 2.22 109.48 171.893 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 t -88.74 105.86 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 106.401 -1.703 . . . . 2.1 106.401 168.556 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.2 tp -110.44 112.49 24.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.531 -0.914 . . . . 0.44 108.531 179.406 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 20.1 m-85 -64.1 167.03 6.92 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 123.604 0.762 . . . . 2.23 111.783 170.225 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.71 -33.11 0.26 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.614 1.966 . . . . 1.19 112.979 177.262 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -99.07 3.5 46.78 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.062 1.745 . . . . 0.96 110.833 169.714 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 35.64 37.77 0.04 OUTLIER 'General case' 0 C--O 1.237 0.446 0 C-N-CA 128.096 2.558 . . . . 4.5 113.982 -176.78 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.13 135.24 44.06 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 106.857 -1.534 . . . . 1.61 106.857 -172.31 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.5 141.12 36.54 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.236 -1.394 . . . . 2.04 107.236 161.203 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.88 143.46 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 O-C-N 123.952 0.783 . . . . 0.71 109.286 152.239 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.5 t -125.41 133.73 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 105.336 -2.098 . . . . 0.43 105.336 173.332 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -107.35 115.18 29.72 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 105.407 -2.071 . . . . 3.66 105.407 175.671 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.18 135.83 17.14 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.819 1.19 . . . . 0.64 111.893 -174.393 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.75 58.08 4.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.514 0.673 . . . . 1.99 109.687 -178.687 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.88 152.58 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 C-N-CA 127.321 2.248 . . . . 1.71 107.7 176.777 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -78.48 115.54 18.26 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 107.874 -1.158 . . . . 3.15 107.874 174.162 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -135.04 26.62 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.365 0.603 . . . . 0.56 109.477 179.66 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 -63.47 -48.24 78.49 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 121.628 -0.67 . . . . 2.83 111.473 -170.856 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.94 -28.88 58.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.801 0.688 . . . . 0.33 110.553 174.065 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -75.51 -44.88 41.39 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.525 -0.734 . . . . 2.79 109.213 -177.318 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.806 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.9 t -67.19 -48.37 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 120.631 -0.428 . . . . 0.45 110.167 178.052 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -51.01 -60.35 3.18 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 117.765 -1.112 . . . . 3.06 110.589 173.713 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.3 t -48.76 -48.46 40.9 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.71 1.141 . . . . 0.55 110.969 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.04 -53.37 58.87 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.851 0.46 . . . . 0.41 111.958 177.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.418 HD12 HG12 ' A' ' 56' ' ' VAL . 18.0 mt -61.98 -45.18 94.75 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.39 0.676 . . . . 1.19 110.84 -178.291 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -52.62 -54.22 36.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.721 -0.672 . . . . 2.36 109.263 175.142 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.41 -42.13 91.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.639 -0.255 . . . . 4.27 111.438 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.49 -28.71 46.73 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.255 1.022 . . . . 0.53 111.764 176.542 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.8 49.3 0.38 Allowed Glycine 0 C--N 1.336 0.547 0 N-CA-C 111.211 -0.756 . . . . 0.86 111.211 166.384 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -134.24 -179.23 5.44 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.882 -1.155 . . . . 2.42 107.882 171.155 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.3 m -128.93 140.79 51.51 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 104.115 -2.55 . . . . 2.23 104.115 164.275 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.1 pp -127.37 167.53 16.07 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.888 -0.782 . . . . 0.83 108.888 171.284 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.32 125.54 51.3 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 103.47 -2.789 . . . . 3.48 103.47 158.365 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -70.13 150.3 46.68 Favored 'General case' 0 N--CA 1.424 -1.764 0 N-CA-C 107.423 -1.325 . . . . 3.05 107.423 166.196 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.66 -176.76 3.78 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 112.544 -2.116 . . . . 2.68 110.793 -169.001 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.823 0.82 . . . . 3.69 109.963 174.814 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.516 -0.358 0 N-CA-C 108.232 -1.025 . . . . 0.92 108.232 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -97.01 144.24 27.09 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.835 -1.53 . . . . 3.19 107.308 173.081 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.642 ' HE2' ' HB3' ' A' ' 48' ' ' ALA . 14.2 m-85 -125.43 134.9 51.94 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 127.058 2.143 . . . . 2.34 108.494 171.01 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.458 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 8.0 p -116.53 155.2 29.07 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 123.93 0.769 . . . . 2.03 111.068 173.923 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.815 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -141.08 163.37 33.15 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.211 1.004 . . . . 1.1 109.98 169.169 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -113.84 118.32 33.9 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 106.461 -1.681 . . . . 2.06 106.461 168.465 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.97 162.85 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.621 -0.881 . . . . 1.1 108.621 179.152 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.34 108.31 6.72 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.053 -1.091 . . . . 0.93 108.053 171.503 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.36 -36.96 1.6 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.838 -0.505 . . . . 1.02 111.838 170.809 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -69.9 112.49 6.35 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.466 -0.432 . . . . 1.99 110.439 -177.045 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.94 58.27 0.31 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.734 0.778 . . . . 3.64 110.13 166.49 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.61 131.17 9.71 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.643 1.177 . . . . 2.46 110.535 179.412 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.18 72.32 0.11 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.835 1.254 . . . . 2.8 113.003 -176.837 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 179.94 -50.5 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 127.529 2.332 . . . . 0.9 107.975 -173.313 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.0 p -72.55 -33.24 66.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.147 -0.686 . . . . 2.56 109.147 179.35 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -52.35 -49.64 63.92 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.775 -0.454 . . . . 0.52 109.775 170.904 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 61.0 mtp180 -61.7 -50.35 72.83 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 119.838 -0.745 . . . . 5.35 109.649 178.593 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -51.14 -44.59 61.42 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.488 1.04 . . . . 4.0 112.162 178.872 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -56.24 -60.17 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.873 0.869 . . . . 0.85 111.061 173.645 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.1 pt-20 -64.56 -38.09 89.8 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 119.385 -0.926 . . . . 2.39 108.589 -172.233 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.54 -35.32 80.1 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.258 1.023 . . . . 0.55 109.865 178.225 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -59.56 -23.68 63.09 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.4 0.68 . . . . 0.5 112.46 170.03 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.619 HG22 HG13 ' A' ' 56' ' ' VAL . 57.7 t -92.98 -46.14 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.315 1.446 . . . . 1.69 110.813 176.478 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -63.72 -32.97 74.63 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 120.723 -1.236 . . . . 2.91 109.343 -171.557 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -63.84 -15.78 59.71 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.547 1.314 . . . . 0.85 114.547 177.709 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.37 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.002 1.274 . . . . 0.67 111.555 -174.834 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 168.0 -51.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 126.006 1.722 . . . . 0.33 108.694 177.573 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.32 -20.12 79.82 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 115.077 -0.965 . . . . 0.55 113.156 -170.213 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.49 140.99 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.461 1.104 . . . . 0.58 109.681 177.154 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -99.29 -51.86 3.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 107.064 -1.458 . . . . 2.17 107.064 169.819 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -148.72 161.49 41.66 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 124.331 1.052 . . . . 1.5 108.597 -170.967 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 p -152.99 139.88 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 125.195 1.398 . . . . 1.43 108.203 -173.612 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -135.38 109.21 8.09 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 122.479 1.133 . . . . 2.09 108.989 175.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.437 HG12 ' CD2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -97.06 125.21 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 C-N-CA 127.725 2.41 . . . . 1.55 106.214 171.655 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.6 tp -126.48 115.27 19.31 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.234 -1.025 . . . . 0.79 108.234 177.925 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 14.2 m-85 -62.7 169.36 3.16 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 124.047 0.939 . . . . 2.39 112.453 174.19 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.57 -38.99 0.4 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.168 1.387 . . . . 1.23 113.649 -177.409 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -88.19 -4.01 58.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.976 0.91 . . . . 2.07 112.158 171.104 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 41.32 37.97 0.72 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.754 2.022 . . . . 4.66 113.362 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.55 127.25 53.45 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 106.978 -1.49 . . . . 1.41 106.978 -168.269 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -100.12 136.97 39.21 Favored 'General case' 0 N--CA 1.425 -1.688 0 N-CA-C 108.066 -1.087 . . . . 1.08 108.066 177.656 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.2 t -132.77 136.38 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 O-C-N 124.724 1.265 . . . . 0.76 110.214 167.39 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.5 t -129.05 135.28 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 106.829 -1.545 . . . . 0.45 106.829 176.803 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.79 107.63 13.87 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.939 1.295 . . . . 2.22 107.916 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.642 ' HB3' ' HE2' ' A' ' 6' ' ' TYR . . . -131.08 161.62 31.65 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.282 1.433 . . . . 0.88 109.663 -172.844 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.85 56.39 0.77 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.155 -1.054 . . . . 1.99 108.155 177.818 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -10.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 117.708 2.484 . . . . 2.95 117.708 178.697 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 70.35 107.14 0.06 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 121.414 1.915 . . . . 4.29 112.792 -178.778 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 pp -147.75 28.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.351 0 O-C-N 121.653 -0.654 . . . . 0.49 111.344 -172.723 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -58.94 -47.24 85.78 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 121.118 -0.989 . . . . 2.39 111.612 -173.565 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.23 -33.09 68.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 123.684 0.615 . . . . 0.32 110.051 176.486 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -76.87 -37.13 56.1 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.896 -0.409 . . . . 3.04 109.896 -177.199 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.815 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 79.1 t -64.71 -58.12 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 108.166 -1.05 . . . . 0.52 108.166 172.634 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -43.82 -58.24 2.84 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 117.809 -1.091 . . . . 2.34 111.443 178.452 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -43.96 -41.75 5.51 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.208 0.913 . . . . 0.69 111.289 178.505 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -72.62 -47.05 50.91 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 121.824 -0.547 . . . . 0.3 110.156 -175.658 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.52 -42.24 98.46 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.354 0.597 . . . . 1.88 111.686 176.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.62 -50.73 71.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.841 -0.8 . . . . 2.48 108.841 174.934 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -60.79 -43.17 98.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.225 0.21 . . . . 4.02 110.993 177.933 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.2 -40.28 85.24 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.877 0.871 . . . . 0.8 110.578 178.712 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.94 50.82 0.18 Allowed Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.343 0.973 . . . . 0.74 111.83 169.171 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -136.72 131.1 33.03 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 117.859 0.83 . . . . 2.93 109.955 174.013 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 m -87.47 105.96 17.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.75 -1.204 . . . . 2.14 107.75 173.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 pp -101.7 178.75 4.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.203 0.601 . . . . 0.75 110.521 172.474 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -131.27 131.84 44.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 104.011 -2.588 . . . . 5.9 104.011 166.363 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -71.99 124.9 25.92 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 106.627 -1.62 . . . . 2.56 106.627 178.325 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -87.69 178.19 6.82 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 114.572 -1.195 . . . . 2.6 110.439 175.592 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 . . . . . 0 N--CA 1.444 -0.757 0 CA-C-N 114.598 -1.183 . . . . 5.36 109.722 173.963 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.8 m . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 107.849 -1.167 . . . . 0.86 107.849 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -96.85 118.89 34.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 O-C-N 124.676 1.235 . . . . 3.4 108.776 -176.346 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.71 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 8.6 m-85 -99.1 134.24 42.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.657 -1.611 . . . . 1.92 113.018 170.101 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -106.67 148.09 28.78 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.179 1.392 . . . . 2.02 109.232 171.054 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.828 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -136.31 164.9 27.02 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.184 0.994 . . . . 1.09 109.826 166.294 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -122.65 102.43 8.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 126.426 1.89 . . . . 3.18 107.883 -178.105 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 11' ' ' SER . 1.8 t -96.64 177.07 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.621 0.724 . . . . 1.28 110.198 -174.755 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.462 ' H ' HG12 ' A' ' 10' ' ' VAL . 4.0 m -156.67 102.11 2.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.623 1.569 . . . . 1.39 107.11 173.507 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.62 -32.85 1.1 Allowed Glycine 0 CA--C 1.533 1.198 0 CA-C-N 118.054 0.388 . . . . 0.75 112.826 179.681 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.67 75.45 0.18 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.405 0.682 . . . . 2.44 112.234 179.545 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 9.4 m-20 -120.64 61.47 0.88 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 121.524 0.678 . . . . 4.38 111.848 177.753 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.75 155.06 2.57 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 122.035 -0.415 . . . . 2.27 110.724 166.042 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.43 38.58 0.15 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.566 1.546 . . . . 2.39 112.889 -175.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.97 -51.98 0.13 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 127.473 2.309 . . . . 1.22 108.616 -172.674 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 m -60.12 -36.57 77.77 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 107.793 -1.188 . . . . 1.98 107.793 171.324 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.43 -35.38 52.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.571 -0.74 . . . . 0.86 111.944 172.859 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -74.29 -47.82 32.44 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 121.075 -1.015 . . . . 3.7 108.914 175.787 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -49.56 -37.03 25.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.645 -0.66 . . . . 2.79 111.331 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.3 t -55.71 -55.88 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 124.483 1.113 . . . . 0.68 111.984 170.893 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 26' ' ' VAL . 7.0 pt-20 -66.18 -43.54 86.58 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.226 0.921 . . . . 1.85 108.6 -176.647 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -65.77 -30.83 71.54 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.176 -0.953 . . . . 0.63 110.384 -176.6 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.83 -22.25 35.09 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 118.334 -0.841 . . . . 0.48 112.058 170.323 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.638 HG12 HG13 ' A' ' 56' ' ' VAL . 5.9 m -106.95 -38.49 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 119.071 0.851 . . . . 1.83 113.187 177.548 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -59.31 -24.5 63.36 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 120.92 -1.113 . . . . 2.67 111.11 178.712 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -68.41 -13.07 62.03 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.505 0.928 . . . . 0.53 113.505 176.485 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -114.89 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.731 1.212 . . . . 0.73 109.337 -178.49 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.78 -49.22 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 125.286 1.435 . . . . 0.3 108.454 -179.674 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.56 -18.09 79.95 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 115.659 -0.701 . . . . 0.38 113.115 -174.692 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.61 130.64 22.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.812 0.845 . . . . 0.45 110.814 176.297 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.58 -62.67 1.21 Allowed 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.151 1.38 . . . . 2.12 108.574 178.384 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -143.83 109.12 5.05 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.878 -1.156 . . . . 1.33 107.878 -165.282 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -102.53 138.83 25.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 123.628 0.771 . . . . 1.35 109.32 178.723 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.53 111.36 8.79 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.238 1.018 . . . . 1.65 109.338 168.942 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.04 123.25 44.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 127.818 2.447 . . . . 1.83 104.511 170.573 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 tp -106.43 87.45 2.55 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 105.088 -2.19 . . . . 0.56 105.088 172.868 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 1.6 t80 -69.61 80.52 0.42 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.138 -1.06 . . . . 3.34 108.138 170.787 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -167.13 -56.09 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.022 2.129 . . . . 1.77 106.7 166.662 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -97.0 38.39 1.24 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.832 1.253 . . . . 1.49 110.885 -177.743 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 36.16 27.35 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 128.742 2.817 . . . . 5.12 116.651 175.641 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -114.28 139.62 49.27 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.61 -1.256 . . . . 2.21 107.61 -166.179 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.75 143.59 33.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.378 -0.971 . . . . 1.82 108.378 167.396 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -126.51 139.55 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 O-C-N 123.929 0.768 . . . . 0.71 111.258 156.214 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.52 119.54 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 125.688 1.595 . . . . 0.4 107.676 174.816 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -96.01 125.42 40.54 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.472 -1.677 . . . . 4.07 106.472 169.296 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.14 146.2 32.61 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.129 0.571 . . . . 0.54 110.628 -177.828 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -86.28 58.35 5.0 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.958 -0.756 . . . . 2.38 108.958 177.394 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.68 160.17 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.219 1.808 . . . . 1.68 110.852 175.629 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.94 105.4 4.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.484 1.514 . . . . 4.13 110.57 172.933 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.05 25.02 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 123.284 0.634 . . . . 0.6 111.799 175.321 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -62.4 -43.46 98.78 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.924 -1.11 . . . . 3.75 111.179 -174.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.33 -32.91 72.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 123.65 0.594 . . . . 0.27 109.7 174.569 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -46.06 69.7 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.856 -0.794 . . . . 2.79 108.856 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.828 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.6 t -65.55 -52.02 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 N-CA-C 108.865 -0.791 . . . . 0.41 108.865 -178.887 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -44.12 -61.98 1.3 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 117.103 -1.427 . . . . 3.18 110.683 171.605 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -46.88 -46.44 21.12 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 120.05 1.295 . . . . 0.59 111.063 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.75 -51.92 67.71 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.496 0.554 . . . . 0.34 112.496 177.468 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.623 HD12 HG12 ' A' ' 56' ' ' VAL . 3.5 mt -65.22 -41.76 94.1 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.698 0.799 . . . . 1.08 111.411 -178.563 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -54.68 18.45 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.205 1.002 . . . . 2.89 108.674 171.484 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -61.76 -47.53 84.79 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.414 0.149 . . . . 3.94 110.817 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.15 -33.44 67.42 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.041 0.937 . . . . 0.44 110.973 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.71 45.39 0.38 Allowed Glycine 0 CA--C 1.524 0.597 0 C-N-CA 124.318 0.961 . . . . 0.53 111.581 165.631 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -137.17 129.26 29.35 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 117.876 0.838 . . . . 1.98 109.247 177.249 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 p -84.39 120.08 25.86 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.786 -1.19 . . . . 1.62 107.786 177.138 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.441 HD13 ' HD1' ' A' ' 8' ' ' TRP . 3.4 pp -121.16 175.15 6.25 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.93 0.892 . . . . 0.86 109.93 171.472 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -130.5 155.93 45.64 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.288 -1.745 . . . . 3.38 106.288 161.341 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -84.39 92.26 7.99 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.95 1.3 . . . . 2.68 110.944 -174.88 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.77 167.34 7.6 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 121.756 -0.59 . . . . 2.28 111.874 -173.141 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 C-N-CA 124.073 0.949 . . . . 4.23 109.405 160.087 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.7 m . . . . . 0 CA--C 1.515 -0.382 0 CA-C-O 121.363 0.602 . . . . 0.88 111.953 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.419 ' HG3' HG13 ' A' ' 45' ' ' VAL . 25.3 ttm180 -99.03 120.41 39.42 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 126.442 1.897 . . . . 3.44 109.468 -177.507 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' HD2' ' A' ' 53' ' ' ARG . 22.5 m-85 -118.61 123.83 45.96 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.106 1.15 . . . . 2.42 114.106 173.656 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.8 m -99.12 157.29 16.46 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.551 0.574 . . . . 1.82 112.551 -178.603 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.684 ' CD1' HD23 ' A' ' 67' ' ' LEU . 19.8 m-90 -138.69 157.04 46.85 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.249 1.42 . . . . 2.6 110.165 167.055 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -113.85 94.83 5.01 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.669 -2.345 . . . . 2.53 104.669 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.606 HG21 HD23 ' A' ' 44' ' ' LEU . 12.1 t -95.93 155.28 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.44 -0.948 . . . . 0.97 108.44 -166.812 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 t -140.67 99.98 3.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.157 -1.423 . . . . 1.08 107.157 179.053 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.64 -12.26 1.52 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.825 1.679 . . . . 1.15 114.389 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -102.61 102.52 12.75 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 120.088 1.944 . . . . 2.01 110.656 -179.28 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -138.92 3.52 2.23 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.042 -1.036 . . . . 4.43 113.609 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.7 t -109.85 -90.87 0.46 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.247 1.019 . . . . 2.22 112.466 -165.765 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.78 -62.8 0.01 OUTLIER 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.559 1.143 . . . . 2.13 109.439 -177.415 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.11 -34.45 60.3 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.896 -0.503 . . . . 0.89 111.279 177.012 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -69.51 -36.51 76.51 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.45 1.5 . . . . 2.88 109.587 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.596 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -65.13 -43.13 92.95 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.549 -0.908 . . . . 0.5 108.549 177.201 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 67.7 mtt180 -60.21 -50.31 74.17 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 119.515 -0.874 . . . . 3.16 109.636 173.613 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -51.22 -42.15 60.76 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.216 -0.927 . . . . 3.5 112.127 177.397 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.45 -62.29 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 120.142 1.337 . . . . 0.61 109.952 172.718 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 17.1 pt-20 -62.01 -45.04 95.35 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 107.134 -1.432 . . . . 1.95 107.134 -165.891 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -61.63 -43.35 99.03 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.887 0.875 . . . . 0.63 110.359 178.684 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.97 -25.26 66.72 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.672 0.669 . . . . 0.74 112.325 173.677 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.612 HG12 HG11 ' A' ' 32' ' ' VAL . 84.2 t -83.49 -37.94 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.936 0.894 . . . . 1.75 110.111 172.644 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -70.34 -37.11 74.59 Favored 'General case' 0 C--O 1.227 -0.085 0 O-C-N 120.257 -1.527 . . . . 2.69 110.321 -174.115 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -58.77 -18.73 34.44 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.328 0.862 . . . . 0.68 113.328 -175.759 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.12 -89.22 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.869 0.868 . . . . 1.09 111.779 -174.795 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 159.98 -54.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 128.576 2.75 . . . . 0.52 108.332 -178.048 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.07 -3.43 89.51 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.584 -0.734 . . . . 0.82 114.227 -168.291 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.612 HG11 HG12 ' A' ' 26' ' ' VAL . 77.7 t -79.24 143.45 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.917 -1.142 . . . . 0.4 107.917 176.3 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -110.39 -48.4 3.17 Favored 'General case' 0 C--N 1.338 0.101 0 N-CA-C 109.271 -0.64 . . . . 3.34 109.271 168.788 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -139.47 158.32 44.33 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.838 0.855 . . . . 1.87 108.694 -176.823 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.9 p -143.38 136.43 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 124.779 1.231 . . . . 1.76 108.616 -179.832 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -112.64 91.54 3.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 127.202 2.201 . . . . 1.93 108.778 171.638 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.53 114.93 28.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 105.563 -2.014 . . . . 1.71 105.563 169.287 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.1 tp -125.63 112.18 15.85 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.563 -0.71 . . . . 0.45 109.243 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 22.9 m-85 -60.0 167.71 2.17 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.029 0.932 . . . . 2.17 112.238 170.435 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.85 -55.28 0.67 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.917 2.087 . . . . 1.22 111.374 175.433 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -62.53 -34.13 76.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.539 -0.912 . . . . 1.15 108.539 160.65 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 59.2 45.27 14.54 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.466 1.506 . . . . 4.81 109.193 -176.81 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.25 139.38 34.99 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.231 -1.804 . . . . 1.37 108.505 -177.182 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.606 HD23 HG21 ' A' ' 10' ' ' VAL 0.258 0.4 OUTLIER -96.98 143.87 27.43 Favored 'General case' 0 CA--C 1.491 -1.301 0 N-CA-C 106.251 -1.759 . . . . 1.69 106.251 160.688 . . . . . . . . 4 4 . 1 . 028 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.419 HG13 ' HG3' ' A' ' 5' ' ' ARG . 1.1 t -138.39 133.62 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 106.642 -1.614 . . . . 0.78 106.642 149.073 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.53 HG23 HD12 ' A' ' 44' ' ' LEU . 22.7 t -118.51 110.42 30.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 126.504 1.922 . . . . 1.03 108.071 179.198 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -98.61 104.63 16.68 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 106.115 -1.809 . . . . 2.47 106.115 178.904 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.32 138.03 39.56 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.741 1.216 . . . . 0.52 110.57 -166.459 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -87.97 55.63 3.54 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.91 -0.494 . . . . 3.04 111.048 -170.65 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 154.75 152.28 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 126.144 1.777 . . . . 1.77 107.564 -166.233 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -74.24 121.2 20.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.295 -1.002 . . . . 3.19 108.295 163.857 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 pp -134.06 19.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 124.544 1.138 . . . . 0.81 108.641 167.578 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.62 ' HB3' ' CH2' ' A' ' 8' ' ' TRP . 28.0 mtp180 -65.65 -46.39 79.36 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 120.393 -1.442 . . . . 3.93 111.535 -161.02 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.61 -29.04 1.64 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.214 1.005 . . . . 0.53 110.14 174.562 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -74.99 -48.28 24.99 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.476 -0.935 . . . . 3.09 108.476 -178.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.5 t -58.01 -55.6 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.187 0.595 . . . . 0.57 109.956 174.182 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -50.07 -53.95 23.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.736 1.214 . . . . 3.23 110.405 177.881 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -55.85 -48.74 74.98 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.653 1.115 . . . . 0.83 109.801 176.645 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.98 -47.14 68.43 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 123.036 0.534 . . . . 0.26 112.004 179.25 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.37 -46.78 75.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.884 1.273 . . . . 1.14 108.743 -178.135 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -48.72 -51.92 26.27 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.944 -1.025 . . . . 2.44 111.281 172.418 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -67.76 -41.96 82.53 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.979 -0.451 . . . . 8.01 111.333 179.374 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.73 79.69 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 123.942 0.897 . . . . 0.61 110.643 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.98 50.89 0.09 OUTLIER Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.252 -0.739 . . . . 0.83 111.252 169.777 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -132.55 -179.25 5.33 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.681 -0.859 . . . . 2.32 108.681 171.449 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.9 p -142.43 135.24 28.29 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 105.001 -2.222 . . . . 1.63 105.001 172.101 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.684 HD23 ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -151.08 169.24 22.32 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.283 1.433 . . . . 2.88 107.217 179.231 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -141.55 116.87 10.11 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 102.811 -3.033 . . . . 3.38 102.811 -174.135 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -28.01 102.37 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.843 1.657 . . . . 3.33 113.332 174.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.18 179.02 7.86 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.971 -1.122 . . . . 3.73 107.971 176.014 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 121.62 0.724 . . . . 4.19 110.349 167.995 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 107.326 -1.361 . . . . 1.71 107.326 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -108.78 139.64 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.632 0.773 . . . . 4.08 110.335 -177.404 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.696 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 14.9 m-85 -129.29 130.11 45.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.612 1.165 . . . . 1.81 111.158 176.545 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -100.28 145.83 27.64 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.98 1.712 . . . . 2.17 110.197 175.155 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.898 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -139.85 162.11 35.96 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.003 0.921 . . . . 1.06 110.688 163.076 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -113.03 94.66 5.0 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.164 1.786 . . . . 2.07 107.923 -173.509 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.524 HG21 HD23 ' A' ' 44' ' ' LEU . 3.1 t -96.93 124.58 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 118.777 0.717 . . . . 1.34 110.019 -167.933 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -117.17 108.81 16.13 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.648 -1.612 . . . . 1.48 106.648 170.345 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.42 -29.25 1.77 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.902 -0.879 . . . . 1.14 110.902 172.482 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.21 81.09 0.72 Allowed 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.045 -0.724 . . . . 5.57 109.045 174.626 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.431 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 10.4 m-20 -141.32 69.06 1.33 Allowed 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 123.475 0.484 . . . . 5.19 110.144 -176.25 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.5 t -150.06 -95.83 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.438 0.295 . . . . 2.54 110.315 172.331 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.68 -66.96 0.03 OUTLIER 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 124.236 1.014 . . . . 2.03 108.856 178.251 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.08 -19.21 61.16 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.543 -0.723 . . . . 1.16 112.103 174.717 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 m -68.74 -25.89 64.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.539 1.136 . . . . 2.06 109.186 175.883 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.67 -49.46 73.12 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.599 -0.519 . . . . 0.61 109.599 171.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 75.5 mtt180 -58.46 -42.46 87.52 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 120.124 -0.631 . . . . 2.59 110.458 176.667 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -45.32 -44.06 11.29 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.447 1.021 . . . . 3.14 112.093 173.259 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.459 ' CG1' HD21 ' A' ' 44' ' ' LEU . 81.0 t -61.75 -60.65 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 119.585 1.084 . . . . 0.87 110.81 177.104 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 11.6 pt-20 -61.11 -38.46 86.4 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 106.871 -1.529 . . . . 2.06 106.871 -168.392 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -70.17 -38.88 75.52 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.212 -0.93 . . . . 0.59 110.616 -179.03 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 -25.6 27.46 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.996 0.918 . . . . 0.41 112.058 172.288 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.503 HG12 HG13 ' A' ' 56' ' ' VAL . 6.3 m -103.91 -37.4 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 113.296 0.85 . . . . 1.88 113.296 177.886 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.06 -28.95 63.02 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 120.942 -1.099 . . . . 2.39 109.998 178.674 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.22 -13.07 61.97 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.758 1.022 . . . . 0.53 113.758 177.661 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -115.5 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.051 0.941 . . . . 0.68 109.279 -178.712 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.38 -48.09 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 124.627 1.171 . . . . 0.42 108.394 -179.281 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.62 -22.57 77.02 Favored Glycine 0 CA--C 1.529 0.906 0 CA-C-N 115.799 -0.637 . . . . 0.54 113.021 -174.652 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.1 t -50.23 139.43 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 124.584 1.154 . . . . 0.72 111.949 174.607 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -123.57 -60.8 1.44 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.849 0.859 . . . . 3.51 112.152 172.803 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -138.24 76.96 1.6 Allowed 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.147 1.339 . . . . 2.44 111.924 -162.822 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.442 HG21 ' CG2' ' A' ' 26' ' ' VAL . 77.6 t -82.37 145.67 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 124.621 1.168 . . . . 2.76 109.38 -171.803 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.65 103.19 4.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 122.245 1.021 . . . . 2.0 109.676 175.373 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 t -92.6 106.03 17.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 126.336 1.854 . . . . 1.98 107.733 178.198 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.9 tp -99.86 75.87 1.92 Allowed 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.755 1.264 . . . . 0.55 107.606 178.098 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.4 t80 -60.23 103.71 0.25 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.084 -1.416 . . . . 3.31 107.383 163.535 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 142.8 -29.49 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 129.19 2.996 . . . . 1.74 110.019 -177.751 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -124.19 38.25 4.23 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.368 -0.604 . . . . 1.44 109.368 177.276 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 35.75 27.94 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 128.556 2.742 . . . . 5.77 115.003 179.248 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.44 124.31 51.52 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.547 -0.909 . . . . 1.41 108.547 -163.741 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.524 HD23 HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -97.3 123.65 41.18 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 104.532 -2.396 . . . . 1.49 104.532 165.854 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 t -126.71 133.24 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 118.837 0.744 . . . . 0.66 111.012 159.625 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.0 t -125.83 117.96 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 N-CA-C 106.832 -1.544 . . . . 0.37 106.832 177.482 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.93 118.83 36.58 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 106.648 -1.612 . . . . 2.3 106.648 171.076 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.53 144.26 31.24 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.528 1.931 . . . . 0.51 111.568 -170.099 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.32 56.76 3.48 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.17 0.988 . . . . 2.11 109.882 178.734 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.5 p30 170.0 168.4 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 127.486 2.314 . . . . 1.73 106.896 175.824 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.45 130.54 34.76 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 119.87 1.214 . . . . 3.38 108.921 164.17 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 56' ' ' VAL . 1.3 pp -139.89 29.97 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 O-C-N 123.578 0.549 . . . . 0.61 109.591 171.294 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mtm-85 -64.98 -49.48 70.1 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.679 -1.263 . . . . 2.84 111.342 -167.804 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.54 -32.77 69.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 123.817 0.698 . . . . 0.5 110.188 173.161 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.9 -46.45 68.3 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 119.871 -0.732 . . . . 3.54 109.643 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.898 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 42.5 t -66.49 -52.35 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 N-CA-C 107.884 -1.154 . . . . 0.36 107.884 -178.467 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.545 ' CG ' HD11 ' A' ' 67' ' ' LEU . 5.1 tm-20 -46.98 -56.47 6.35 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 118.264 -0.874 . . . . 2.84 111.704 176.899 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -47.9 -42.63 27.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.816 0.735 . . . . 0.66 111.138 177.457 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.34 -45.15 66.72 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.42 -0.8 . . . . 0.46 110.558 -176.698 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.426 HD13 HG12 ' A' ' 56' ' ' VAL . 6.3 mp -64.25 -42.77 96.36 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.368 0.604 . . . . 1.69 110.417 179.046 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -49.73 75.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.816 -0.629 . . . . 2.19 109.686 175.732 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.09 -37.85 88.83 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.45 -0.157 . . . . 4.88 111.418 178.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.07 85.65 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.842 0.857 . . . . 0.53 110.183 176.44 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.41 41.97 0.28 Allowed Glycine 0 CA--C 1.523 0.567 0 C-N-CA 124.363 0.983 . . . . 0.6 111.624 168.711 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -116.63 166.56 11.97 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 117.585 0.692 . . . . 2.19 110.054 174.767 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -118.81 131.41 56.09 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 105.438 -2.06 . . . . 1.34 105.438 171.132 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' A' ' 57' ' ' GLU . 3.0 pp -142.27 170.99 14.68 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 124.232 0.958 . . . . 0.81 108.623 175.337 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -134.91 126.55 28.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 104.02 -2.585 . . . . 3.7 104.02 175.934 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -52.83 114.39 1.4 Allowed 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.124 0.97 . . . . 3.02 108.429 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -95.24 167.11 11.56 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 114.773 -1.103 . . . . 2.41 108.692 -179.106 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 CA--C 1.539 0.552 0 CA-C-N 114.854 -1.066 . . . . 3.84 110.901 169.248 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 107.696 -1.224 . . . . 1.01 107.696 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -99.24 141.49 31.94 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.883 -1.053 . . . . 3.93 109.332 178.45 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.66 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 13.0 m-85 -124.16 123.8 41.08 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 125.966 1.706 . . . . 1.96 108.94 171.841 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.475 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 11.2 t -99.57 158.48 15.72 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.913 0.758 . . . . 2.04 109.144 169.652 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.777 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -134.76 167.4 20.93 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 126.65 1.98 . . . . 1.06 107.158 163.33 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -112.01 127.82 56.0 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 105.488 -2.042 . . . . 1.93 105.488 161.456 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.58 164.45 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 124.732 1.213 . . . . 1.09 109.834 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -145.45 115.73 7.52 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.187 -1.042 . . . . 1.39 108.187 164.507 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.96 -37.98 1.07 Allowed Glycine 0 CA--C 1.528 0.865 0 O-C-N 123.524 0.515 . . . . 0.8 112.429 169.266 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -68.52 -25.05 64.75 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 116.707 2.114 . . . . 3.31 116.707 -162.051 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -51.34 77.66 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.418 1.887 . . . . 2.9 115.406 -165.318 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.7 m -143.51 -96.99 0.11 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.954 1.701 . . . . 2.29 110.531 176.358 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.86 -68.13 0.03 OUTLIER 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.701 1.2 . . . . 2.04 109.185 -178.935 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.23 -31.63 44.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.591 0.757 . . . . 0.87 112.086 177.153 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.3 m -68.73 -33.87 74.65 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.914 -0.773 . . . . 1.79 108.914 -178.682 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.71 84.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.752 -0.833 . . . . 0.72 108.752 175.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.452 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 2.3 mpt_? -58.75 -53.13 61.86 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 109.702 -0.481 . . . . 4.28 109.702 175.479 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -46.17 -47.07 17.69 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 120.345 -0.542 . . . . 3.38 111.666 177.231 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.559 HG11 HD21 ' A' ' 44' ' ' LEU . 99.5 t -62.55 -58.22 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 118.656 0.662 . . . . 0.59 112.571 176.464 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.479 ' O ' HG22 ' A' ' 26' ' ' VAL . 16.2 pt-20 -59.56 -41.46 90.23 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 107.757 -1.201 . . . . 2.25 107.757 -171.734 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -63.88 -38.83 92.55 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.081 -1.012 . . . . 0.77 110.813 176.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.2 -28.74 19.5 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.705 0.802 . . . . 0.55 111.976 173.039 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 23' ' ' GLU . 8.6 m -98.55 -41.12 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 112.432 0.53 . . . . 2.05 112.432 178.5 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -59.73 -29.95 68.49 Favored 'General case' 0 N--CA 1.462 0.136 0 O-C-N 121.692 -0.63 . . . . 3.68 110.131 -177.909 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.53 -14.09 62.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.891 1.071 . . . . 0.58 113.891 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.62 -116.07 0.0 OUTLIER 'General case' 0 C--N 1.343 0.306 0 CA-C-N 118.999 0.818 . . . . 0.84 110.441 178.391 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.1 -49.32 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.177 0 N-CA-C 109.109 -0.7 . . . . 0.36 109.109 -177.149 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.35 -14.66 75.97 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 115.652 -0.704 . . . . 0.44 113.017 -175.368 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.31 132.74 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.952 0.901 . . . . 0.42 109.074 169.224 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -111.19 -61.2 1.73 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.908 -1.145 . . . . 2.28 107.908 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -119.3 159.8 23.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.983 1.713 . . . . 3.03 107.499 -176.868 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.33 138.87 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.402 1.081 . . . . 1.6 108.651 -178.578 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -126.27 95.12 4.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.337 1.455 . . . . 1.88 108.796 174.433 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.433 HG22 HD21 ' A' ' 44' ' ' LEU . 18.3 t -92.92 103.47 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 107.006 -1.479 . . . . 2.04 107.006 169.141 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.4 tp -113.52 103.9 11.72 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.66 -1.237 . . . . 0.51 107.66 178.861 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.53 163.6 5.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.712 0.405 . . . . 2.93 111.595 175.482 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.45 -43.15 0.45 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.556 2.342 . . . . 1.27 110.875 173.361 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.1 m -67.8 -30.05 69.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.209 0.603 . . . . 1.17 109.434 162.743 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 50.72 33.99 9.25 Favored 'General case' 0 C--N 1.344 0.338 0 C-N-CA 124.963 1.305 . . . . 4.17 111.703 -173.361 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -88.35 137.54 32.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.384 -2.08 . . . . 1.51 105.384 169.522 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.559 HD21 HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -116.45 116.53 27.84 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 117.601 -1.19 . . . . 1.13 108.555 168.172 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.91 138.55 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 O-C-N 123.985 0.803 . . . . 0.68 110.517 170.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 81.1 t -128.67 126.37 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 C-N-CA 125.789 1.636 . . . . 0.47 106.886 172.245 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.68 108.49 18.4 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.076 -1.824 . . . . 2.25 106.076 -177.547 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.99 140.42 34.35 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.737 1.215 . . . . 0.52 112.545 -161.07 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.59 63.53 4.76 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.873 0.869 . . . . 2.21 109.529 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 161.03 160.08 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 129.595 3.158 . . . . 1.79 106.98 173.596 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -82.93 124.28 30.21 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.731 1.213 . . . . 4.03 109.659 175.31 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 pp -145.2 25.04 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 118.806 0.73 . . . . 0.52 111.606 -178.806 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -59.4 -46.41 88.77 Favored 'General case' 0 CA--C 1.511 -0.557 0 O-C-N 121.264 -0.897 . . . . 2.36 111.281 -174.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.59 -32.57 70.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 123.974 0.796 . . . . 0.33 109.848 177.064 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -49.2 61.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.815 -0.809 . . . . 3.0 108.815 179.569 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.777 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 86.3 t -66.31 -48.2 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 N-CA-C 108.711 -0.848 . . . . 0.43 108.711 -175.697 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -48.38 -54.8 12.66 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 117.844 -1.074 . . . . 2.53 112.178 170.593 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -53.32 -49.3 67.35 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.734 1.152 . . . . 0.57 109.351 -179.84 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.58 89.13 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.139 0.422 . . . . 0.29 112.139 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.558 HD21 HG13 ' A' ' 22' ' ' VAL . 32.8 mt -68.66 -40.29 80.24 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.798 0.839 . . . . 1.04 109.632 -177.197 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -54.27 34.0 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.377 -0.828 . . . . 2.95 110.059 170.246 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -64.13 -39.69 94.58 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.033 -0.417 . . . . 7.13 111.585 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.47 70.56 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.356 0.662 . . . . 0.47 110.715 176.345 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.83 44.25 0.9 Allowed Glycine 0 C--N 1.336 0.536 0 C-N-CA 124.124 0.869 . . . . 0.59 111.322 168.273 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -124.8 141.88 51.81 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.061 -1.089 . . . . 2.06 108.061 169.416 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.1 m -83.92 138.89 32.94 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 106.853 -1.536 . . . . 1.57 106.853 166.933 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.54 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.4 pp -135.45 175.85 9.21 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.466 -0.568 . . . . 0.86 109.466 168.412 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -126.98 132.45 50.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 105.042 -2.207 . . . . 3.22 105.042 155.504 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.37 142.94 55.31 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.329 -1.73 . . . . 2.8 106.329 175.39 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -106.43 172.58 6.74 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 113.435 -1.711 . . . . 2.61 111.774 177.073 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 C--O 1.238 0.479 0 CA-C-N 113.847 -1.524 . . . . 3.31 111.036 175.873 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 113.677 0.992 . . . . 5.46 113.677 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.34 113.81 1.66 Allowed Glycine 0 C--N 1.336 0.574 0 C-N-CA 124.113 0.863 . . . . 1.45 111.616 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.0 m -122.71 144.74 48.96 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.665 -0.865 . . . . 0.92 108.665 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -99.14 113.51 25.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.362 -1.29 . . . . 5.62 109.587 -174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.622 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.6 m-85 -98.1 141.63 30.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.784 1.234 . . . . 2.05 112.076 172.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 4.7 m -123.38 151.57 42.43 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 123.607 0.763 . . . . 2.08 110.506 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.792 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -140.31 159.22 42.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 1.1 109.506 171.414 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 21.7 mtpt -110.66 120.19 41.6 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.379 -2.082 . . . . 1.87 105.379 172.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.38 160.06 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.311 1.044 . . . . 1.09 109.357 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.74 113.81 15.19 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.636 -1.246 . . . . 0.88 107.636 166.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -26.19 2.97 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.543 2.021 . . . . 0.89 112.628 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.36 77.23 8.26 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.184 -1.186 . . . . 2.05 112.288 -168.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -142.56 69.13 1.31 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.786 0.803 . . . . 3.44 110.669 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -162.96 149.57 12.6 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.804 -0.56 . . . . 2.29 111.104 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 63.71 3.0 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.565 0.95 . . . . 2.92 113.565 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.6 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 127.172 2.189 . . . . 0.85 109.383 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -68.22 -31.71 71.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.879 -0.786 . . . . 2.68 108.879 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -56.48 -47.02 80.12 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.502 -0.479 . . . . 0.49 111.249 172.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 41.2 mtt85 -63.58 -53.24 54.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.45 -0.945 . . . . 3.41 108.45 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.04 -37.75 54.64 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.446 -0.784 . . . . 4.15 111.991 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.51 -61.87 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.286 0.634 . . . . 0.59 110.873 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.4 pt-20 -61.67 -41.44 97.55 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 119.461 1.028 . . . . 1.77 108.444 -171.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -62.85 -34.86 78.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.405 1.082 . . . . 0.54 110.745 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -56.8 -24.76 53.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.442 0.565 . . . . 0.46 112.225 168.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.578 HG12 HG21 ' A' ' 32' ' ' VAL . 4.0 t -95.07 -44.78 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.642 1.177 . . . . 1.67 111.141 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -61.36 -29.87 70.17 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.376 -1.452 . . . . 2.89 110.18 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.62 -12.21 21.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.978 1.103 . . . . 0.52 113.978 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -71.87 -119.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.165 0.893 . . . . 0.45 109.276 176.29 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.21 -48.91 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.498 -0.751 . . . . 0.3 109.36 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.88 -20.62 79.74 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 115.662 -0.699 . . . . 0.46 112.407 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 HG12 ' A' ' 26' ' ' VAL . 69.5 t -62.85 134.21 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.083 -0.71 . . . . 0.44 109.083 174.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.84 21.37 1.97 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.557 0.577 . . . . 2.34 112.557 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -178.99 143.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.821 2.048 . . . . 1.39 106.008 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.38 138.46 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.056 1.342 . . . . 2.72 108.398 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 5.1 mt-30 -131.82 87.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.577 1.151 . . . . 1.83 108.663 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.19 109.71 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.068 1.347 . . . . 1.71 107.524 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.8 tp -112.33 116.17 29.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.933 0.893 . . . . 0.5 109.141 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 26.6 m-85 -62.37 167.61 4.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.198 0.599 . . . . 2.66 111.669 170.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.33 -50.43 0.55 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 127.04 2.136 . . . . 1.19 112.643 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -71.7 -26.11 62.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.45 -0.781 . . . . 0.98 109.429 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 57.54 38.62 28.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 122.678 1.227 . . . . 4.23 108.993 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.77 128.08 54.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 106.409 -1.7 . . . . 1.37 106.409 -171.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -99.98 139.07 36.18 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 107.971 -1.122 . . . . 1.11 107.971 -178.228 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 9.4 t -130.13 147.86 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 O-C-N 124.412 1.07 . . . . 0.68 110.237 160.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.1 t -138.56 120.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.945 1.698 . . . . 0.37 106.635 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.35 113.36 26.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.45 -1.685 . . . . 2.26 106.45 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.26 140.09 35.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.238 0.615 . . . . 0.49 109.422 -173.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 58.01 4.81 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.385 -0.598 . . . . 1.9 109.385 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.21 151.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.313 2.245 . . . . 1.77 109.009 178.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.425 ' OD2' ' NH1' ' A' ' 53' ' ' ARG . 14.3 t0 -70.67 125.08 25.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.562 -0.903 . . . . 3.3 108.562 169.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.8 27.19 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.547 -0.909 . . . . 0.53 108.547 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 49.6 mtm-85 -63.59 -43.76 96.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 121.149 -0.97 . . . . 2.49 111.2 -169.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -32.43 68.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.694 0.621 . . . . 0.3 109.672 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -45.16 57.97 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.816 -0.809 . . . . 2.95 108.816 -177.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.792 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 99.2 t -65.51 -47.43 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.737 -0.838 . . . . 0.51 108.737 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -46.84 -59.54 3.0 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.793 -1.099 . . . . 2.38 111.45 170.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -48.6 -43.81 36.45 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.704 1.138 . . . . 0.55 110.318 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -59.28 -48.81 80.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.377 0.671 . . . . 0.35 112.467 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD12 HG12 ' A' ' 56' ' ' VAL . 52.2 mt -71.31 -38.66 71.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.166 0.986 . . . . 1.01 110.286 -175.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -58.07 7.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.405 -0.816 . . . . 2.66 110.522 166.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -60.89 -35.3 76.29 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.998 1.272 . . . . 5.13 111.609 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -20.51 66.38 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.926 0.49 . . . . 0.65 111.801 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.68 37.71 3.89 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.413 1.006 . . . . 0.6 111.541 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -127.6 122.96 34.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.626 0.713 . . . . 2.12 109.177 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m -81.39 114.31 20.07 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.976 -1.49 . . . . 2.0 106.976 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.559 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.1 pp -110.52 -179.61 3.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.311 0.644 . . . . 0.81 110.979 173.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.61 128.63 37.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.003 -2.221 . . . . 3.23 105.003 163.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 115.65 5.27 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 125.486 1.515 . . . . 3.67 107.372 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.418 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 6.5 mm-40 -90.88 165.21 13.72 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 123.11 1.433 . . . . 2.78 112.373 174.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -63.75 169.71 3.88 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 113.25 -1.795 . . . . 5.79 110.889 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.86 56.35 3.39 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.871 0.868 . . . . 2.42 110.281 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 61.55 55.96 2.65 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.67 1.188 . . . . 2.14 109.531 -164.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--O 1.256 1.413 0 CA-C-O 115.681 -2.105 . . . . 5.32 108.395 -165.909 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 113.677 0.992 . . . . 5.46 113.677 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.34 113.81 1.66 Allowed Glycine 0 C--N 1.336 0.574 0 C-N-CA 124.113 0.863 . . . . 1.45 111.616 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.0 m -122.71 144.74 48.96 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.665 -0.865 . . . . 0.92 108.665 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -99.14 113.51 25.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.362 -1.29 . . . . 5.62 109.587 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.622 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.6 m-85 -98.1 141.63 30.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.784 1.234 . . . . 2.05 112.076 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 4.7 m -123.38 151.57 42.43 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 123.607 0.763 . . . . 2.08 110.506 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.792 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -140.31 159.22 42.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 1.1 109.506 171.414 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 21.7 mtpt -110.66 120.19 41.6 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.379 -2.082 . . . . 1.87 105.379 172.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.38 160.06 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.311 1.044 . . . . 1.09 109.357 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.74 113.81 15.19 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.636 -1.246 . . . . 0.88 107.636 166.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -26.19 2.97 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.543 2.021 . . . . 0.89 112.628 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.36 77.23 8.26 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.184 -1.186 . . . . 2.05 112.288 -168.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -142.56 69.13 1.31 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.786 0.803 . . . . 3.44 110.669 166.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -162.96 149.57 12.6 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.804 -0.56 . . . . 2.29 111.104 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 63.71 3.0 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.565 0.95 . . . . 2.92 113.565 -169.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.6 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 127.172 2.189 . . . . 0.85 109.383 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -68.22 -31.71 71.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.879 -0.786 . . . . 2.68 108.879 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -56.48 -47.02 80.12 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.502 -0.479 . . . . 0.49 111.249 172.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 41.2 mtt85 -63.58 -53.24 54.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.45 -0.945 . . . . 3.41 108.45 178.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.04 -37.75 54.64 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.446 -0.784 . . . . 4.15 111.991 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.51 -61.87 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.286 0.634 . . . . 0.59 110.873 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.4 pt-20 -61.67 -41.44 97.55 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 119.461 1.028 . . . . 1.77 108.444 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -62.85 -34.86 78.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.405 1.082 . . . . 0.54 110.745 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -56.8 -24.76 53.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.442 0.565 . . . . 0.46 112.225 168.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.578 HG12 HG21 ' A' ' 32' ' ' VAL . 4.0 t -95.07 -44.78 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.642 1.177 . . . . 1.67 111.141 177.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -61.36 -29.87 70.17 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.376 -1.452 . . . . 2.89 110.18 -173.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.62 -12.21 21.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.978 1.103 . . . . 0.52 113.978 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -71.87 -119.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.165 0.893 . . . . 0.45 109.276 176.29 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.21 -48.91 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.498 -0.751 . . . . 0.3 109.36 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.88 -20.62 79.74 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 115.662 -0.699 . . . . 0.46 112.407 -176.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 HG12 ' A' ' 26' ' ' VAL . 69.5 t -62.85 134.21 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.083 -0.71 . . . . 0.44 109.083 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.84 21.37 1.97 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.557 0.577 . . . . 2.34 112.557 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -178.99 143.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.821 2.048 . . . . 1.39 106.008 174.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.38 138.46 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.056 1.342 . . . . 2.72 108.398 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 5.1 mt-30 -131.82 87.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.577 1.151 . . . . 1.83 108.663 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.19 109.71 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.068 1.347 . . . . 1.71 107.524 173.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.8 tp -112.33 116.17 29.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.933 0.893 . . . . 0.5 109.141 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 26.6 m-85 -62.37 167.61 4.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.198 0.599 . . . . 2.66 111.669 170.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.33 -50.43 0.55 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 127.04 2.136 . . . . 1.19 112.643 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -71.7 -26.11 62.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.45 -0.781 . . . . 0.98 109.429 171.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 57.54 38.62 28.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 122.678 1.227 . . . . 4.23 108.993 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.77 128.08 54.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 106.409 -1.7 . . . . 1.37 106.409 -171.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -99.98 139.07 36.18 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 107.971 -1.122 . . . . 1.11 107.971 -178.228 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 9.4 t -130.13 147.86 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 O-C-N 124.412 1.07 . . . . 0.68 110.237 160.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.1 t -138.56 120.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.945 1.698 . . . . 0.37 106.635 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.35 113.36 26.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.45 -1.685 . . . . 2.26 106.45 175.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.26 140.09 35.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.238 0.615 . . . . 0.49 109.422 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 58.01 4.81 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.385 -0.598 . . . . 1.9 109.385 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.21 151.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.313 2.245 . . . . 1.77 109.009 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.425 ' OD2' ' NH1' ' A' ' 53' ' ' ARG . 14.3 t0 -70.67 125.08 25.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.562 -0.903 . . . . 3.3 108.562 169.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.8 27.19 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.547 -0.909 . . . . 0.53 108.547 169.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 49.6 mtm-85 -63.59 -43.76 96.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 121.149 -0.97 . . . . 2.49 111.2 -169.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -32.43 68.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.694 0.621 . . . . 0.3 109.672 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -45.16 57.97 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.816 -0.809 . . . . 2.95 108.816 -177.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.792 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 99.2 t -65.51 -47.43 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.737 -0.838 . . . . 0.51 108.737 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -46.84 -59.54 3.0 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.793 -1.099 . . . . 2.38 111.45 170.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -48.6 -43.81 36.45 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.704 1.138 . . . . 0.55 110.318 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -59.28 -48.81 80.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.377 0.671 . . . . 0.35 112.467 177.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD12 HG12 ' A' ' 56' ' ' VAL . 52.2 mt -71.31 -38.66 71.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.166 0.986 . . . . 1.01 110.286 -175.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -58.07 7.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.405 -0.816 . . . . 2.66 110.522 166.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -60.89 -35.3 76.29 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.998 1.272 . . . . 5.13 111.609 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -20.51 66.38 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.926 0.49 . . . . 0.65 111.801 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.68 37.71 3.89 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.413 1.006 . . . . 0.6 111.541 172.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -127.6 122.96 34.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.626 0.713 . . . . 2.12 109.177 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m -81.39 114.31 20.07 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.976 -1.49 . . . . 2.0 106.976 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.559 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.1 pp -110.52 -179.61 3.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.311 0.644 . . . . 0.81 110.979 173.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.61 128.63 37.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.003 -2.221 . . . . 3.23 105.003 163.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 115.65 5.27 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 125.486 1.515 . . . . 3.67 107.372 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.418 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 6.5 mm-40 -90.88 165.21 13.72 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 123.11 1.433 . . . . 2.78 112.373 174.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -63.75 169.71 3.88 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 113.25 -1.795 . . . . 5.79 110.889 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.86 56.35 3.39 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.871 0.868 . . . . 2.42 110.281 -173.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 61.55 55.96 2.65 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.67 1.188 . . . . 2.14 109.531 -164.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--O 1.256 1.413 0 CA-C-O 115.681 -2.105 . . . . 5.32 108.395 -165.909 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 108.738 -0.838 . . . . 4.96 108.738 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.49 133.32 4.76 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.508 -1.437 . . . . 1.2 109.508 -176.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 m -141.12 133.9 28.84 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 118.515 1.158 . . . . 0.91 109.573 163.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.24 112.25 24.3 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.383 -1.28 . . . . 4.73 107.871 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.726 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 34.0 m-85 -103.78 128.64 51.17 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.627 0.603 . . . . 1.83 112.627 169.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.454 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 5.6 m -108.79 149.15 29.47 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.114 0.884 . . . . 2.12 110.213 175.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.867 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -135.3 167.24 21.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.164 0.586 . . . . 1.09 111.338 166.821 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -117.88 105.92 12.43 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 126.6 1.96 . . . . 2.89 106.227 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.6 HG21 HD23 ' A' ' 44' ' ' LEU . 11.8 t -108.2 144.49 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 119.704 1.138 . . . . 0.98 108.534 -170.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.9 99.25 5.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.177 -1.046 . . . . 0.9 108.177 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.5 -34.9 0.82 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 123.483 0.563 . . . . 0.76 111.698 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.6 ptm -69.79 95.71 0.92 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 122.326 -0.514 . . . . 2.07 111.518 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -148.91 82.68 1.45 Allowed 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.908 -0.495 . . . . 2.74 109.798 163.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -155.16 -95.57 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.092 0.557 . . . . 2.16 110.577 174.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.82 -58.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.206 1.403 . . . . 2.15 108.345 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.75 -33.99 50.87 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.787 -0.642 . . . . 0.93 110.831 171.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 m -72.26 -41.44 66.73 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.423 -0.954 . . . . 1.78 108.423 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -59.7 -44.02 93.85 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.216 -0.291 . . . . 0.5 110.216 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -60.51 -55.08 37.71 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 118.589 -1.244 . . . . 3.05 109.719 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -49.11 -39.59 28.95 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.544 -0.722 . . . . 3.54 112.409 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.492 HG13 HD21 ' A' ' 60' ' ' LEU . 54.1 t -56.53 -62.7 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 118.862 0.755 . . . . 0.48 109.944 170.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.54 -46.45 88.85 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.237 -1.394 . . . . 1.96 107.237 -168.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -61.55 -36.96 82.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.677 1.191 . . . . 0.56 110.342 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -22.13 42.54 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.676 0.621 . . . . 0.4 112.676 170.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.639 HG12 HG21 ' A' ' 32' ' ' VAL . 11.8 t -95.75 -44.9 13.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.624 1.17 . . . . 1.65 110.81 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -61.32 -30.77 70.71 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 119.906 -1.746 . . . . 2.36 110.69 -173.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -61.92 -14.61 36.09 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 114.126 1.158 . . . . 0.48 114.126 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 26' ' ' VAL . 1.2 mt -66.33 -109.22 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.279 0.945 . . . . 0.49 110.303 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 176.67 -49.85 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.29 1.436 . . . . 0.43 108.642 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.74 -6.65 78.33 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.457 -0.792 . . . . 0.68 113.378 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.639 HG21 HG12 ' A' ' 26' ' ' VAL . 43.1 t -75.45 143.97 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 124.72 1.208 . . . . 0.52 109.16 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -114.32 -43.81 3.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 O-C-N 123.166 0.291 . . . . 2.71 110.348 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -161.93 145.22 12.04 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.114 -1.439 . . . . 1.33 107.114 -172.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.8 m -139.13 149.06 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.755 -1.202 . . . . 2.19 107.755 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -139.16 99.03 3.65 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.016 1.389 . . . . 1.81 109.631 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 m -90.18 122.53 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 127.37 2.268 . . . . 1.46 106.717 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 tp -128.04 113.79 16.25 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.946 -1.131 . . . . 0.46 107.946 -175.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 35.2 m-85 -67.4 164.21 19.13 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 123.97 0.794 . . . . 2.78 111.686 173.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 74.97 -48.3 0.64 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 128.259 2.624 . . . . 1.36 110.134 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -24.65 67.92 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.929 0.492 . . . . 1.05 110.171 162.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 50.37 31.45 5.38 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 125.239 1.416 . . . . 3.8 111.54 -178.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 131.36 54.48 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.561 -1.2 . . . . 2.83 108.567 -172.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.6 HD23 HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -96.94 133.73 41.2 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 104.413 -2.44 . . . . 1.81 104.413 -178.301 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 t -132.62 132.85 59.87 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 O-C-N 124.26 0.975 . . . . 0.75 110.194 163.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.8 t -130.2 118.25 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 C-N-CA 125.923 1.689 . . . . 0.37 106.995 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.14 112.35 24.35 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.219 -1.4 . . . . 2.19 107.219 173.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.79 131.77 15.24 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 114.776 -1.102 . . . . 0.66 108.877 -169.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.68 56.24 2.63 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.834 -0.802 . . . . 2.28 108.834 -168.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 165.69 150.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.487 1.515 . . . . 1.93 109.391 -172.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -73.96 103.47 4.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.849 1.66 . . . . 4.36 110.817 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.85 26.31 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.808 0.843 . . . . 0.53 111.024 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -67.57 -49.63 62.25 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 120.835 -1.166 . . . . 3.78 111.225 -170.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.31 -32.12 62.21 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 124.299 0.999 . . . . 0.28 109.099 172.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -46.76 63.28 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 108.067 -1.086 . . . . 2.6 108.067 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.867 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 42.9 t -65.84 -50.26 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 CA-C-N 115.74 -0.664 . . . . 0.4 109.418 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -44.16 -54.61 5.46 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 117.907 -1.044 . . . . 2.6 112.331 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -53.37 -44.35 68.52 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.966 1.257 . . . . 0.6 110.507 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.04 88.75 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.202 0.601 . . . . 0.43 112.018 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.743 HD12 HG12 ' A' ' 56' ' ' VAL . 3.7 mt -64.49 -44.06 92.17 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.722 -0.844 . . . . 1.11 108.722 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -56.17 13.65 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.279 -0.873 . . . . 2.95 110.183 174.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -60.98 -48.58 81.17 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.177 0.436 . . . . 5.98 112.177 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.79 -36.33 58.12 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.907 0.883 . . . . 0.78 110.999 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.91 50.91 0.19 Allowed Glycine 0 C--N 1.336 0.576 0 N-CA-C 111.113 -0.795 . . . . 0.68 111.113 164.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -134.24 145.42 49.12 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 117.293 0.546 . . . . 2.11 110.037 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.4 m -94.12 123.51 37.55 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.119 -1.437 . . . . 1.46 107.119 170.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.607 ' CD2' HD13 ' A' ' 60' ' ' LEU . 3.1 pp -135.17 175.16 9.83 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.002 -0.74 . . . . 0.82 109.002 168.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -137.22 138.01 39.7 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 103.555 -2.758 . . . . 3.49 103.555 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -54.42 100.58 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 122.936 1.35 . . . . 3.15 110.807 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -82.55 174.21 11.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.528 -1.286 . . . . 2.27 107.528 -178.464 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -67.84 174.66 3.5 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.467 -1.396 . . . . 4.09 112.897 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.62 -76.01 0.21 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.694 0.798 . . . . 2.03 109.295 176.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.04 -47.11 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.092 1.757 . . . . 2.58 109.26 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.259 1.578 0 N-CA-C 102.569 -3.122 . . . . 6.17 102.569 161.047 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 121.106 0.479 . . . . 4.94 110.62 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.72 176.34 11.24 Favored Glycine 0 C--N 1.336 0.554 0 CA-C-O 121.456 0.475 . . . . 1.33 112.592 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -98.97 148.82 23.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.578 -0.897 . . . . 0.93 108.578 -176.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -97.6 124.78 42.01 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 107.356 -1.35 . . . . 4.56 107.356 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.446 ' HB3' ' HZ2' ' A' ' 8' ' ' TRP . 49.8 m-85 -129.45 142.11 50.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 118.294 -0.86 . . . . 2.43 112.181 176.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t -123.57 160.15 27.67 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.377 1.621 . . . . 2.46 115.377 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.635 ' CD1' HD13 ' A' ' 67' ' ' LEU . 5.7 m-90 -140.86 147.24 38.64 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 126.012 1.725 . . . . 2.4 109.638 172.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.02 97.44 8.59 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 107.481 -1.303 . . . . 3.06 107.481 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.866 HG21 HD23 ' A' ' 44' ' ' LEU . 3.6 t -96.46 100.12 10.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.76 0.791 . . . . 1.96 109.69 -163.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -100.14 92.58 5.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 105.618 -1.993 . . . . 0.91 105.618 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.56 -36.28 0.47 Allowed Glycine 0 CA--C 1.525 0.658 0 CA-C-N 114.796 -1.093 . . . . 1.01 110.597 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.47 101.66 3.01 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.087 -1.045 . . . . 2.0 112.282 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 26.1 t0 -139.21 93.62 2.71 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.192 -0.299 . . . . 3.09 110.192 162.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 168.02 145.43 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 126.268 1.827 . . . . 2.39 108.817 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 51.49 0.49 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.821 1.248 . . . . 2.43 111.798 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.34 -50.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 126.483 1.913 . . . . 1.13 107.825 -169.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.4 m -67.64 -37.19 82.1 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 107.578 -1.267 . . . . 2.37 107.578 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.73 -50.71 43.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.009 -0.542 . . . . 1.01 111.078 166.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -62.01 -42.07 98.75 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 120.862 -1.149 . . . . 3.29 110.932 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -45.95 -42.03 12.39 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.154 -0.966 . . . . 2.9 112.241 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.031 HG11 HD21 ' A' ' 44' ' ' LEU . 46.0 t -58.47 -64.55 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 118.375 0.534 . . . . 0.48 110.208 175.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -58.87 -43.69 90.92 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 106.97 -1.493 . . . . 2.28 106.97 -166.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -62.07 -42.44 99.2 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 123.97 0.908 . . . . 0.81 110.639 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.05 66.21 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.334 0.515 . . . . 0.58 112.318 172.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.439 HG12 HG11 ' A' ' 32' ' ' VAL . 67.3 t -80.87 -42.08 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.598 0.759 . . . . 1.75 109.857 173.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -66.24 -38.63 88.35 Favored 'General case' 0 N--CA 1.461 0.11 0 O-C-N 120.467 -1.396 . . . . 2.32 111.171 -173.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -57.2 -14.68 4.45 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.48 1.289 . . . . 0.63 114.48 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 mt -65.72 -108.63 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.891 0.876 . . . . 0.86 111.491 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.99 -51.05 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.615 1.166 . . . . 0.39 108.732 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.09 -5.71 87.21 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.449 -0.796 . . . . 0.78 113.661 -173.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.439 HG11 HG12 ' A' ' 26' ' ' VAL . 37.6 t -74.39 146.51 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 118.371 1.085 . . . . 0.38 108.107 174.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.8 -52.13 1.69 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 118.786 -0.626 . . . . 2.46 111.383 171.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -126.94 103.05 7.27 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 119.458 1.026 . . . . 3.36 110.243 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 p -82.75 142.51 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 121.283 -0.885 . . . . 1.38 108.753 171.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.14 107.98 8.98 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.908 1.283 . . . . 2.67 108.183 171.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -98.24 113.93 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 106.633 -1.618 . . . . 1.57 106.633 172.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.6 tp -100.85 82.31 2.39 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 105.607 -1.997 . . . . 0.57 105.607 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 3.4 t80 -69.21 77.75 0.36 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.089 -1.078 . . . . 3.04 108.089 170.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -168.94 -62.15 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 126.991 2.117 . . . . 2.23 105.971 169.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -93.29 48.85 1.34 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.029 1.332 . . . . 1.45 110.106 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 31.49 32.2 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.344 3.058 . . . . 5.48 118.086 172.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -121.57 140.68 51.92 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.047 -1.033 . . . . 1.81 111.701 -165.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.031 HD21 HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -98.47 127.28 44.34 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 104.309 -2.478 . . . . 1.41 104.309 160.335 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 p -123.41 118.13 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.708 -1.219 . . . . 2.11 107.708 155.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.44 120.66 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 C-N-CA 126.861 2.065 . . . . 0.79 109.159 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.47 110.63 23.15 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.15 -1.426 . . . . 2.23 107.15 170.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.36 132.05 39.0 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 114.9 -1.046 . . . . 0.53 109.333 -176.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.8 56.69 3.76 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.403 -0.592 . . . . 2.07 109.403 -178.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 157.53 151.82 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 127.601 2.36 . . . . 1.91 108.331 -174.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -72.3 129.53 38.64 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 108.795 -0.817 . . . . 3.34 108.795 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.456 HD13 HG23 ' A' ' 56' ' ' VAL . 1.7 pp -141.8 21.07 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 109.026 -0.731 . . . . 0.67 109.026 171.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.2 mtm-85 -69.94 -37.16 75.8 Favored 'General case' 0 CA--C 1.495 -1.135 0 C-N-CA 117.36 -1.736 . . . . 3.06 109.698 -169.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.23 -32.9 38.91 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 119.07 0.85 . . . . 0.74 109.527 173.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -50.44 18.58 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.126 -0.694 . . . . 2.5 109.126 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.616 HG11 ' CZ3' ' A' ' 8' ' ' TRP . 13.5 t -62.49 -48.14 89.67 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.51 110.033 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.9 -52.98 63.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.062 1.345 . . . . 3.02 107.611 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.8 m -46.51 -53.16 11.81 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.605 0.638 . . . . 2.15 111.69 170.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.71 96.6 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.912 0.708 . . . . 0.32 112.912 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.432 HD21 HG13 ' A' ' 22' ' ' VAL . 61.2 mt -70.02 -43.23 71.77 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.686 1.194 . . . . 1.1 108.455 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.33 -51.79 63.6 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.967 -0.753 . . . . 3.65 108.967 174.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -58.04 -49.48 76.74 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.187 0.195 . . . . 3.82 110.761 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.42 -38.2 68.66 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.036 0.934 . . . . 0.43 110.899 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.31 52.67 0.14 Allowed Glycine 0 C--N 1.335 0.507 0 N-CA-C 110.432 -1.067 . . . . 0.68 110.432 169.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -128.18 173.52 10.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.711 0.804 . . . . 2.05 109.419 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.7 p -130.81 135.01 47.34 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.091 -1.448 . . . . 2.13 107.091 169.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.635 HD13 ' CD1' ' A' ' 8' ' ' TRP . 2.5 pp -156.23 170.16 22.89 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 126.918 2.087 . . . . 0.87 107.919 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -150.17 99.88 2.85 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.249 1.419 . . . . 3.61 107.523 -172.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . 0.341 1.3 p-10 -27.64 103.41 0.02 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 114.505 1.298 . . . . 2.72 114.505 -167.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -80.79 164.47 22.7 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.377 -1.283 . . . . 3.88 108.258 -173.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.71 144.28 33.13 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 113.297 -1.774 . . . . 5.16 109.574 179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.4 -56.78 17.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.643 -0.873 . . . . 1.64 108.643 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -177.37 176.06 1.37 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.457 2.303 . . . . 2.46 105.545 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--O 1.257 1.465 0 N-CA-C 104.278 -2.49 . . . . 5.91 104.278 170.837 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 107.004 -1.48 . . . . 5.19 107.004 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.03 156.22 9.53 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 125.65 1.595 . . . . 1.56 109.882 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 m -142.0 142.47 32.93 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 121.463 -1.022 . . . . 0.92 109.924 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -95.2 124.69 39.38 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 106.954 -1.499 . . . . 3.28 106.954 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.636 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 12.1 m-85 -105.78 140.99 37.97 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 126.44 1.896 . . . . 1.85 113.507 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.45 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 9.2 m -115.95 145.19 43.13 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.196 0.998 . . . . 2.04 111.088 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.747 ' CZ2' HG11 ' A' ' 56' ' ' VAL . 1.3 m-90 -132.41 164.97 25.35 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.579 1.152 . . . . 1.1 109.52 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.57 110.3 16.28 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 106.68 -1.6 . . . . 2.61 106.68 174.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.3 t -108.07 158.44 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.872 -1.159 . . . . 1.0 107.872 -174.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.8 112.46 7.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 105.423 -2.066 . . . . 1.4 105.423 167.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.31 -13.79 3.01 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-O 119.005 -0.886 . . . . 1.46 113.022 173.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -73.12 35.71 0.08 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.549 1.674 . . . . 2.4 113.319 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.1 m-20 -99.95 66.8 1.39 Allowed 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 121.499 -0.75 . . . . 5.19 109.224 -152.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -158.34 -75.32 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.71 0.633 . . . . 2.59 112.71 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 157.51 -65.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 127.503 2.321 . . . . 2.08 107.882 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.54 -34.99 62.76 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.936 0.874 . . . . 0.78 110.989 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.4 m -71.48 -30.41 65.95 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.587 0.755 . . . . 1.99 109.883 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.82 92.34 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.222 -0.658 . . . . 0.59 109.222 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 98.7 mtt180 -59.74 -52.94 63.34 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 119.609 -0.837 . . . . 3.11 109.768 170.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -48.83 -39.69 26.45 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.088 -1.007 . . . . 4.08 112.311 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.4 -57.5 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 118.802 0.728 . . . . 0.62 111.87 172.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.498 ' O ' HG22 ' A' ' 26' ' ' VAL . 14.4 pt-20 -63.25 -43.94 96.59 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 108.096 -1.076 . . . . 1.82 108.096 -174.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -65.47 -31.97 73.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 121.169 -0.957 . . . . 0.6 111.055 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.33 -25.15 32.98 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.678 -0.677 . . . . 0.59 111.922 169.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.611 HG12 HG13 ' A' ' 56' ' ' VAL . 7.8 m -103.29 -39.15 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 118.905 0.775 . . . . 1.78 113.054 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -58.73 -27.28 64.76 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.56 -0.713 . . . . 3.71 110.598 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -67.09 -13.03 61.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.618 0.969 . . . . 0.6 113.618 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -72.23 -115.74 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.176 0.99 . . . . 0.62 109.6 -176.228 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.1 -48.92 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 124.441 1.096 . . . . 0.29 108.565 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.52 -14.71 82.18 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 115.543 -0.753 . . . . 0.44 112.992 -175.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.77 130.23 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.871 0.868 . . . . 0.44 109.902 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -98.57 -55.65 2.68 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.138 0.975 . . . . 2.23 108.839 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -153.72 121.45 5.96 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.928 0.491 . . . . 1.8 110.235 -168.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 p -105.66 141.77 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 126.258 1.823 . . . . 1.44 110.615 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -131.62 94.06 3.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.476 1.511 . . . . 1.75 109.697 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 t -90.99 101.13 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 125.526 1.53 . . . . 2.2 108.192 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 tp -97.19 74.81 2.55 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.268 -1.753 . . . . 0.59 106.268 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.7 t80 -61.1 102.44 0.21 Allowed 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.68 -1.6 . . . . 3.44 106.68 167.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 149.79 -37.35 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.282 2.633 . . . . 2.0 109.254 -171.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -118.49 19.25 13.39 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.01 0.524 . . . . 1.21 110.502 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 39.32 36.96 0.23 Allowed 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 127.75 2.42 . . . . 3.46 114.292 177.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.34 128.12 42.47 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.735 -1.209 . . . . 1.3 107.735 -177.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.99 141.27 31.96 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.405 -1.702 . . . . 1.82 106.405 174.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -122.57 142.87 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 118.578 0.626 . . . . 0.73 111.417 161.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.27 117.16 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 106.94 -1.504 . . . . 0.38 106.94 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.57 120.48 38.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 106.974 -1.491 . . . . 2.66 106.974 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.72 149.39 37.09 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.587 1.155 . . . . 0.55 111.36 -169.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -95.9 58.31 1.9 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.975 0.91 . . . . 2.23 110.149 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 161.45 157.65 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 127.161 2.184 . . . . 1.67 107.894 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -78.49 118.76 20.93 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 120.001 1.273 . . . . 3.39 108.892 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 56' ' ' VAL . 2.3 pp -139.18 26.55 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 123.011 0.524 . . . . 0.61 109.743 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -62.02 -48.02 82.15 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 121.563 -0.71 . . . . 2.81 111.006 -173.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.44 -30.54 60.69 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 123.885 0.74 . . . . 0.41 110.042 174.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -78.83 -40.9 31.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.007 -0.738 . . . . 2.11 109.007 -175.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.747 HG11 ' CZ2' ' A' ' 8' ' ' TRP . 78.0 t -64.7 -47.99 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 109.397 -0.594 . . . . 0.49 109.397 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -46.0 -62.19 1.43 Allowed 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 118.162 -0.923 . . . . 2.23 109.965 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -48.1 -46.24 33.68 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.652 0.66 . . . . 0.53 110.086 -175.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -49.32 78.21 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.978 0.732 . . . . 0.33 112.978 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.629 HD12 HG12 ' A' ' 56' ' ' VAL . 9.3 mt -67.6 -44.66 77.55 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.705 0.802 . . . . 1.02 110.246 -176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -49.87 70.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.492 -0.776 . . . . 2.23 109.451 174.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -62.09 -41.55 98.31 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.329 -0.232 . . . . 3.84 111.357 176.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.95 76.29 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.628 0.771 . . . . 0.52 110.587 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.31 54.89 0.19 Allowed Glycine 0 C--N 1.336 0.555 0 C-N-CA 124.224 0.916 . . . . 0.56 110.931 168.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -136.95 164.01 29.35 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.738 -0.838 . . . . 1.81 108.738 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.4 m -109.22 124.83 51.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.496 -1.668 . . . . 1.52 106.496 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.545 HD12 ' C ' ' A' ' 67' ' ' LEU . 3.4 pp -135.66 176.96 8.2 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.18 -1.045 . . . . 0.79 108.18 168.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -136.15 129.04 31.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.758 -2.312 . . . . 4.39 104.758 168.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.84 112.24 0.74 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 123.936 0.894 . . . . 4.18 109.106 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.437 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 1.4 tm-20 -83.95 -174.73 5.45 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.829 -1.078 . . . . 2.58 109.492 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -63.0 168.66 3.85 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 122.041 0.925 . . . . 4.41 109.248 171.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.35 -80.92 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.71 -0.848 . . . . 1.99 108.71 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.44 143.43 39.67 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.588 -1.634 . . . . 2.28 106.588 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 . . . . . 0 C--O 1.248 1.024 0 N-CA-C 106.907 -1.516 . . . . 5.96 106.907 158.094 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.232 0.14 0 N-CA-C 109.549 -0.537 . . . . 5.43 109.549 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.8 -149.06 11.94 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 110.484 -1.046 . . . . 1.31 110.484 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.2 158.74 20.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.473 0.654 . . . . 1.15 109.269 173.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -99.37 144.29 28.65 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.942 1.297 . . . . 6.68 107.991 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.647 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 29.8 m-85 -132.56 125.47 30.59 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.65 1.18 . . . . 1.99 108.75 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.404 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 70.9 m -99.89 156.78 16.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.091 0.956 . . . . 1.96 109.289 172.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.647 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 5.6 m-90 -140.04 160.82 39.07 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.535 1.534 . . . . 1.11 108.49 167.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -114.7 123.38 49.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 105.954 -1.869 . . . . 2.3 105.954 167.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 t -109.04 174.72 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 125.379 1.472 . . . . 1.23 109.562 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.31 109.45 4.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.315 1.046 . . . . 0.99 109.152 169.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.3 -37.44 1.39 Allowed Glycine 0 CA--C 1.531 1.052 0 CA-C-N 119.271 0.941 . . . . 0.98 113.24 167.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ptm -69.3 86.85 0.42 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.232 1.013 . . . . 2.16 111.253 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -136.7 71.79 1.42 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.463 1.028 . . . . 2.76 111.781 172.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 m -147.52 -94.99 0.08 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.959 0.904 . . . . 2.35 110.754 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.8 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.342 0.264 0 C-N-CA 124.988 1.315 . . . . 2.03 109.41 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -27.29 68.03 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.785 -0.572 . . . . 0.92 111.669 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -75.48 -38.0 59.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.858 0.863 . . . . 2.86 109.19 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.611 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.33 -38.79 84.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.165 -0.68 . . . . 0.48 109.165 174.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 53.9 mtt85 -58.37 -51.14 71.07 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 118.999 -1.08 . . . . 2.72 111.097 171.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -52.84 -40.06 63.05 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.304 -1.498 . . . . 2.89 112.751 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.424 ' CG1' HD21 ' A' ' 44' ' ' LEU . 79.7 t -57.76 -55.69 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.728 0.811 . . . . 0.7 111.34 173.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 26' ' ' VAL . 16.6 pt-20 -67.44 -45.89 74.71 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.403 -0.962 . . . . 1.88 108.403 -174.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -64.24 -31.21 72.32 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.777 -1.202 . . . . 0.61 110.558 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.54 -24.27 60.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.272 -0.87 . . . . 0.49 112.978 169.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.477 HG12 HG13 ' A' ' 56' ' ' VAL . 33.6 m -99.21 -39.48 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 119.655 1.116 . . . . 1.8 111.7 174.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -60.27 -25.49 65.75 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.353 -0.842 . . . . 3.66 110.72 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -71.37 -13.58 61.91 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.045 0.938 . . . . 0.54 113.286 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -122.04 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.956 -0.757 . . . . 0.58 108.956 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.98 -47.85 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 108.584 -0.895 . . . . 0.31 108.584 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.61 -13.92 83.0 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 115.517 -0.765 . . . . 0.41 112.836 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.3 t -57.22 136.29 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.567 0.747 . . . . 0.41 110.554 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -106.03 -53.28 2.66 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 106.618 -1.623 . . . . 2.41 106.618 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.69 170.62 19.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.876 -0.786 . . . . 2.16 108.876 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.77 142.91 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 124.596 1.158 . . . . 1.56 109.641 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -132.87 94.47 3.39 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.844 1.658 . . . . 1.84 108.971 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.425 HG12 HD21 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -91.37 119.75 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 106.497 -1.668 . . . . 1.73 106.497 168.591 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.9 tp -121.0 114.21 21.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.632 -0.877 . . . . 0.54 108.632 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 25.3 m-85 -60.09 160.39 8.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.188 0.995 . . . . 2.57 111.858 172.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.61 -45.2 0.61 Allowed 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.744 2.018 . . . . 1.53 112.012 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 m -68.51 -27.19 65.9 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.901 -0.777 . . . . 1.29 108.901 165.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.93 42.02 31.83 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.494 1.118 . . . . 4.42 108.84 -176.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.7 134.03 51.27 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 104.274 -2.491 . . . . 1.45 104.274 -174.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -105.15 135.61 46.18 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 125.184 1.553 . . . . 1.24 108.683 164.58 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -123.68 142.9 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 O-C-N 124.384 1.053 . . . . 0.66 108.742 158.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.45 HG21 HG11 ' A' ' 26' ' ' VAL . 60.6 t -135.4 124.85 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 N-CA-C 105.556 -2.016 . . . . 0.4 105.556 175.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.26 121.95 44.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 105.555 -2.017 . . . . 2.4 105.555 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.74 139.03 29.23 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.614 0.571 . . . . 0.54 111.537 -171.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -80.59 58.51 3.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.835 0.854 . . . . 2.32 109.589 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 158.91 154.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 127.486 2.314 . . . . 1.75 109.531 175.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -71.9 117.43 13.49 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.867 1.267 . . . . 4.14 109.392 171.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 pp -144.2 24.15 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.938 -0.476 . . . . 0.67 110.378 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -60.32 -45.69 92.52 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 121.422 -0.799 . . . . 2.49 111.389 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.78 65.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.697 0.623 . . . . 0.28 110.074 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -79.28 -38.61 34.97 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.617 -0.512 . . . . 2.24 109.617 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.625 HG11 ' CZ2' ' A' ' 8' ' ' TRP . 91.4 t -64.2 -53.69 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 119.171 -1.012 . . . . 0.56 108.406 171.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -44.45 -58.16 3.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 118.013 -0.994 . . . . 2.43 111.508 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -47.0 -45.83 21.33 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.028 0.831 . . . . 0.54 110.835 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.21 73.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.1 -0.375 . . . . 0.26 111.988 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.86 -45.35 94.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.937 1.295 . . . . 2.47 110.423 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -53.38 51.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.328 -0.851 . . . . 2.44 109.182 174.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -62.12 -41.43 98.24 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.633 0.235 . . . . 4.08 111.633 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.93 -30.97 69.41 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 124.46 1.104 . . . . 0.6 110.611 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.28 45.02 0.5 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 111.173 -0.771 . . . . 0.51 111.173 164.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -137.29 145.69 43.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.695 -1.224 . . . . 2.27 107.695 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 p -87.52 134.39 33.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.097 -1.816 . . . . 1.5 106.097 166.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.6 pp -128.86 175.56 8.54 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.076 -0.713 . . . . 0.95 109.076 166.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -127.53 131.78 50.02 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 105.37 -2.085 . . . . 3.03 105.37 167.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -69.87 135.1 49.18 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.376 -1.342 . . . . 2.37 107.376 174.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.32 169.31 9.44 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.292 -1.776 . . . . 3.0 110.41 -175.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.99 129.21 36.98 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.312 1.045 . . . . 4.11 108.718 168.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.34 -71.32 0.07 Allowed 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.068 0.947 . . . . 1.63 110.619 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -172.04 140.73 1.24 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.93 2.092 . . . . 4.17 106.204 167.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--O 1.251 1.137 0 O-C-N 125.022 1.451 . . . . 9.84 109.867 -172.689 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 105.792 -1.929 . . . . 5.72 105.792 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.29 172.61 53.5 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.271 -1.532 . . . . 2.05 109.271 166.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.4 m -131.94 140.05 48.89 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.768 0.827 . . . . 1.44 109.999 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.55 125.7 51.34 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 113.764 -1.562 . . . . 3.87 108.104 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.588 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.8 m-85 -102.91 133.89 47.25 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 128.191 2.596 . . . . 2.4 111.05 171.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.433 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 51.8 p -116.04 154.6 29.61 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.731 0.812 . . . . 2.14 111.424 174.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.784 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -140.21 157.88 44.9 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.879 0.871 . . . . 1.09 109.577 170.567 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 3.0 mppt? -106.78 119.57 39.68 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 105.715 -1.957 . . . . 2.16 105.715 166.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 t -107.57 177.7 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 125.236 1.414 . . . . 1.58 107.827 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.65 117.26 4.68 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.388 -2.078 . . . . 1.18 105.388 163.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.55 -10.68 4.33 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 115.554 0.982 . . . . 1.0 115.554 167.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -75.29 57.95 0.92 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.575 1.687 . . . . 2.14 113.208 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 12.7 m-20 -90.47 69.38 6.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.765 -0.585 . . . . 4.63 112.447 -171.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.38 142.56 0.34 Allowed 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 121.61 -0.681 . . . . 2.58 110.944 166.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.42 -49.43 74.55 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.425 0.631 . . . . 2.17 110.562 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.61 -15.39 51.28 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.806 0.669 . . . . 1.91 112.806 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -97.64 -29.56 13.34 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.17 0.988 . . . . 2.7 110.778 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.94 -39.99 63.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.308 -0.627 . . . . 0.52 109.308 167.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HA ' ' HG2' ' A' ' 23' ' ' GLU 0.255 1.7 mpt_? -57.36 -45.45 84.37 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.058 -1.057 . . . . 3.09 112.674 170.03 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -40.74 73.31 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.084 -1.635 . . . . 4.23 111.064 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.1 t -59.15 -57.65 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.359 0.664 . . . . 0.73 110.647 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 18.4 pt-20 -64.59 -42.79 95.35 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 108.386 -0.968 . . . . 2.07 108.386 -173.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -67.47 -35.28 78.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.55 0.74 . . . . 0.65 109.666 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.69 -19.29 15.78 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.507 0.558 . . . . 0.45 112.507 169.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.597 HG22 HG13 ' A' ' 56' ' ' VAL . 45.6 t -97.73 -43.37 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.348 1.059 . . . . 1.76 110.276 172.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 mtm-85 -60.5 -25.01 65.76 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 120.125 -1.61 . . . . 2.88 111.702 -176.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.99 -12.57 55.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.938 0.895 . . . . 0.57 113.2 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -118.28 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.164 0.986 . . . . 0.76 109.074 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.78 -48.58 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 124.388 1.075 . . . . 0.38 108.771 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.11 -22.76 78.71 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.354 -0.839 . . . . 0.55 112.837 -176.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.552 HG21 HG12 ' A' ' 26' ' ' VAL . 53.4 t -56.09 140.13 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 122.02 -0.694 . . . . 0.45 110.774 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -108.96 -46.13 3.67 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.624 -0.51 . . . . 2.46 109.624 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -160.49 149.26 16.86 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 106.403 -1.703 . . . . 1.36 106.403 -172.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.6 m -142.46 150.61 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 O-C-N 121.422 -0.799 . . . . 2.23 109.324 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -142.81 98.16 3.23 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 122.523 1.154 . . . . 1.77 110.079 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -91.0 122.46 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 127.286 2.235 . . . . 1.54 105.947 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 tp -110.2 77.08 1.02 Allowed 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 106.236 -1.764 . . . . 0.6 106.236 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.0 t80 -63.94 89.49 0.05 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.203 -1.406 . . . . 3.48 107.203 168.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.03 -41.86 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 129.179 2.992 . . . . 1.99 107.932 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -108.72 16.59 22.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.774 0.829 . . . . 1.25 110.971 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 43.93 38.89 2.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.134 1.774 . . . . 4.17 113.06 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.34 127.95 36.62 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.068 -1.086 . . . . 1.54 108.068 -171.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -105.21 140.26 38.62 Favored 'General case' 0 N--CA 1.423 -1.819 0 C-N-CA 124.694 1.198 . . . . 1.09 108.77 178.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.47 140.19 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 O-C-N 124.602 1.188 . . . . 0.74 110.668 167.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.4 t -129.47 130.12 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 C-N-CA 126.079 1.752 . . . . 0.4 106.524 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -109.51 115.13 29.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.584 -1.635 . . . . 2.73 106.584 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' HB2' ' HA ' ' A' ' 32' ' ' VAL . . . -153.1 150.14 28.82 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.587 0.755 . . . . 0.64 109.704 -172.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.99 55.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.79 0.805 . . . . 2.44 108.87 -167.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -169.58 -35.08 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.846 1.054 . . . . 2.79 113.846 -177.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 t0 79.85 124.48 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 127.786 2.434 . . . . 3.51 109.086 -170.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 56' ' ' VAL . 1.5 pp -146.44 34.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 125.2 1.4 . . . . 0.64 107.742 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.4 mtm-85 -61.7 -45.54 93.55 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.321 -0.862 . . . . 2.45 111.466 -171.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.59 -33.45 68.2 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 123.567 0.542 . . . . 0.29 110.175 175.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -46.57 52.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.936 -0.764 . . . . 3.19 108.936 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.784 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.0 t -64.72 -47.77 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 N-CA-C 108.46 -0.941 . . . . 0.36 108.46 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' HA ' HD21 ' A' ' 67' ' ' LEU . 78.9 tt0 -46.31 -61.51 1.76 Allowed 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 117.349 -1.31 . . . . 2.4 110.004 170.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.5 t -45.97 -46.72 16.5 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.95 1.25 . . . . 0.59 110.736 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.45 77.57 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.579 0.585 . . . . 0.29 112.579 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.403 HD12 HG12 ' A' ' 56' ' ' VAL . 81.7 mt -69.08 -40.56 78.38 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.277 1.031 . . . . 1.03 111.677 -176.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -49.86 -51.4 40.57 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.702 1.201 . . . . 2.96 107.843 169.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -64.27 -43.28 95.31 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 122.208 -0.308 . . . . 4.29 111.71 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.34 -35.53 62.83 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.797 0.839 . . . . 0.75 110.643 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.21 44.59 0.61 Allowed Glycine 0 C--N 1.334 0.433 0 N-CA-C 111.071 -0.812 . . . . 0.86 111.071 165.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.67 136.79 44.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.836 -1.172 . . . . 2.48 107.836 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.7 m -83.26 118.38 23.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.6 -1.259 . . . . 1.86 107.6 173.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.505 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.6 pp -109.83 175.25 5.51 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.464 0.477 . . . . 0.86 111.346 169.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -128.68 135.83 49.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 105.342 -2.096 . . . . 3.42 105.342 163.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -72.81 120.24 18.16 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 106.863 -1.532 . . . . 2.97 106.863 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.482 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 2.5 mm-40 -88.8 177.68 6.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 122.326 1.06 . . . . 2.85 111.825 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -56.15 165.47 1.0 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 113.788 -1.551 . . . . 4.37 110.966 165.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.94 -82.75 0.14 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.976 -1.011 . . . . 1.5 108.662 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.17 143.05 15.08 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 105.522 -2.029 . . . . 4.07 105.522 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.251 1.155 0 O-C-N 124.706 1.254 . . . . 8.47 110.568 -167.83 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.872 -0.418 . . . . 6.26 109.872 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.96 162.63 38.84 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.86 -0.896 . . . . 2.23 110.86 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -99.82 157.92 16.16 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 123.646 0.778 . . . . 1.64 109.848 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.557 HH12 ' HB2' ' A' ' 73' ' ' ALA . 7.8 ptt85 -141.3 166.87 23.58 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.0 -1.0 . . . . 4.14 110.11 170.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.576 ' HB3' ' HZ2' ' A' ' 8' ' ' TRP . 54.4 m-85 -143.18 152.26 41.58 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 127.001 2.12 . . . . 1.88 111.089 -170.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -114.95 161.66 18.0 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.125 1.528 . . . . 2.39 115.125 174.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.611 ' HZ3' HG11 ' A' ' 56' ' ' VAL . 7.5 m-90 -140.69 151.67 44.72 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.683 1.993 . . . . 2.51 109.834 169.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.16 101.26 11.0 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.377 1.471 . . . . 2.08 107.877 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -101.1 117.63 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 118.79 0.723 . . . . 1.33 109.383 -163.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -103.48 95.61 6.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 107.389 -1.337 . . . . 1.03 107.389 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.12 -38.39 0.97 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.843 -0.503 . . . . 0.79 111.843 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -69.46 101.89 1.67 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 117.492 0.646 . . . . 2.2 111.05 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -152.93 73.02 0.98 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.059 0.944 . . . . 3.18 110.301 162.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -171.43 146.18 2.22 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.33 -0.856 . . . . 2.59 112.651 172.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.78 65.38 0.71 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.346 1.458 . . . . 2.9 112.219 -175.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.81 -52.84 0.01 OUTLIER 'General case' 0 C--O 1.234 0.271 0 C-N-CA 127.463 2.305 . . . . 0.87 106.881 -173.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.3 m -63.83 -38.18 90.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.963 -1.125 . . . . 1.89 107.963 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.799 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -50.5 -47.47 57.31 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 123.505 0.503 . . . . 0.72 110.914 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -68.7 -47.27 66.82 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 119.446 -0.902 . . . . 2.59 109.38 178.757 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -48.24 -42.41 30.33 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.855 0.752 . . . . 3.06 112.034 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.456 ' CG1' HD21 ' A' ' 44' ' ' LEU . 55.8 t -57.04 -61.58 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 123.659 0.783 . . . . 0.57 110.331 174.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.2 pt-20 -61.69 -44.79 96.26 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.495 -1.298 . . . . 2.14 107.495 -171.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -60.92 -39.4 89.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.183 0.993 . . . . 0.66 109.733 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.18 -20.72 43.29 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.907 0.706 . . . . 0.39 112.907 172.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.6 t -95.61 -45.77 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 125.233 1.413 . . . . 1.61 108.949 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -61.56 -30.17 70.49 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 119.732 -1.855 . . . . 2.32 111.088 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -60.86 -14.38 21.66 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.5 0.926 . . . . 0.97 113.5 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -118.63 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.641 0.655 . . . . 0.59 110.11 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.46 -49.29 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 123.911 0.884 . . . . 0.4 109.285 -174.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.84 -15.48 75.17 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 115.801 -0.636 . . . . 0.47 112.742 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -51.68 136.04 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.293 0.637 . . . . 0.62 109.47 164.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -117.43 -45.99 2.7 Favored 'General case' 0 N--CA 1.458 -0.045 0 C-N-CA 123.179 0.592 . . . . 3.26 109.606 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -139.02 162.83 33.96 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.625 1.17 . . . . 1.63 107.944 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -154.46 132.23 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 108.36 -0.978 . . . . 1.48 108.36 -173.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.64 105.2 8.31 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.989 1.316 . . . . 4.69 109.31 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.6 118.57 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 C-N-CA 126.453 1.901 . . . . 1.57 106.211 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.9 tp -124.83 110.38 14.22 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.053 -1.091 . . . . 0.43 108.053 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.799 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 23.2 m-85 -68.02 162.88 23.54 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.51 0.671 . . . . 3.0 112.339 175.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 75.97 -41.38 0.43 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.565 2.746 . . . . 1.28 110.734 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.8 m -75.27 -17.77 60.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.837 0.855 . . . . 0.97 110.588 169.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 49.26 39.04 14.93 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.996 1.318 . . . . 3.67 112.723 -177.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -105.9 137.26 44.1 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.018 -1.105 . . . . 1.61 108.018 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.61 HD12 ' HE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -97.8 132.81 43.08 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 104.703 -2.332 . . . . 1.44 104.703 160.722 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 p -131.48 134.2 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 119.412 1.005 . . . . 2.07 108.928 154.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 t -129.46 121.87 54.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 107.009 -1.478 . . . . 0.64 107.009 -166.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.27 103.45 13.48 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.673 -1.603 . . . . 2.72 106.673 -175.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -141.6 130.31 22.83 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.77 0.828 . . . . 0.77 109.157 -169.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -86.4 51.54 2.25 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.417 -0.216 . . . . 2.54 110.417 -171.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 168.25 147.17 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.023 -1.103 . . . . 2.63 108.023 -167.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -77.68 113.97 16.07 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.967 -0.753 . . . . 3.76 108.967 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.433 HD13 HG23 ' A' ' 56' ' ' VAL . 1.6 pp -141.22 23.06 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 123.574 0.75 . . . . 0.59 110.891 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' HD2' ' CZ2' ' A' ' 8' ' ' TRP . 13.2 mtm180 -72.34 -27.81 62.65 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 120.964 -1.085 . . . . 2.99 110.63 -172.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.9 -37.19 71.07 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.564 -0.854 . . . . 0.69 109.244 168.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.9 -47.18 26.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.185 -0.672 . . . . 2.75 109.185 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.611 HG11 ' HZ3' ' A' ' 8' ' ' TRP . 40.6 t -62.55 -50.27 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.991 -0.744 . . . . 0.38 108.991 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' HA ' HD11 ' A' ' 67' ' ' LEU 0.28 31.8 tt0 -60.88 -50.61 72.72 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.783 -1.103 . . . . 3.33 109.292 -179.246 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -47.18 -52.18 16.36 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.454 1.025 . . . . 0.57 111.165 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.75 79.43 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.545 0.738 . . . . 0.25 111.818 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.6 mt -64.3 -45.81 86.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.514 1.126 . . . . 1.07 109.806 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -50.6 65.21 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.221 -0.659 . . . . 2.14 109.221 175.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.88 -48.8 80.16 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.792 -0.186 . . . . 3.68 110.799 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.92 69.9 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 124.358 1.063 . . . . 0.52 111.102 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.1 52.85 0.09 OUTLIER Glycine 0 C--N 1.335 0.51 0 N-CA-C 110.976 -0.85 . . . . 0.95 110.976 170.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -132.86 168.69 17.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.735 0.814 . . . . 2.47 109.379 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -131.21 128.48 40.02 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.511 -1.292 . . . . 1.53 107.511 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.496 HD12 ' CD1' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -145.72 174.97 10.74 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.478 1.911 . . . . 1.74 107.981 -179.648 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -148.76 73.75 1.24 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.313 1.045 . . . . 6.62 108.714 -172.421 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 31.43 54.43 0.24 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.814 1.783 . . . . 3.73 115.814 159.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -72.03 168.02 18.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 120.735 -1.228 . . . . 3.06 110.967 -161.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -51.61 174.94 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.304 1.041 . . . . 4.11 112.973 167.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -136.95 55.15 1.84 Allowed 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.598 -0.689 . . . . 2.29 109.614 -167.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.557 ' HB2' HH12 ' A' ' 5' ' ' ARG . . . 63.51 74.16 0.43 Allowed 'General case' 0 C--N 1.337 0.063 0 C-N-CA 124.474 1.11 . . . . 2.53 108.025 -168.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 C--O 1.249 1.062 0 O-C-N 125.136 1.523 . . . . 6.17 108.326 -159.419 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.234 0.253 0 N-CA-C 106.945 -1.502 . . . . 4.87 106.945 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.11 129.01 4.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 108.278 -1.929 . . . . 1.21 108.278 -175.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.12 146.86 51.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.443 -0.947 . . . . 0.85 108.443 175.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -98.37 141.24 31.49 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 113.615 -1.629 . . . . 3.48 108.896 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.586 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 9.5 m-85 -125.13 119.28 28.14 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 127.108 2.163 . . . . 2.34 110.065 174.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.424 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 79.7 p -99.62 148.11 24.66 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.98 0.809 . . . . 2.07 110.731 174.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.834 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -136.21 159.16 42.58 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.123 1.369 . . . . 1.1 108.532 164.559 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -110.46 110.64 21.46 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.353 -2.091 . . . . 2.55 105.353 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.504 HG21 HD23 ' A' ' 44' ' ' LEU . 1.6 t -99.77 170.8 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 119.089 0.858 . . . . 1.09 109.284 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.79 113.19 7.28 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.314 -0.995 . . . . 0.89 108.314 169.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.5 -23.78 3.41 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.716 1.627 . . . . 0.96 111.891 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -79.35 82.81 5.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 121.517 -0.99 . . . . 2.24 110.226 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -146.64 61.2 1.21 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.424 0.63 . . . . 3.68 111.447 168.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 m -136.53 -96.66 0.22 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.753 0.821 . . . . 2.32 111.435 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.36 -62.23 0.03 OUTLIER 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.028 0.931 . . . . 2.01 109.276 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.95 -29.54 70.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.628 0.771 . . . . 0.92 111.214 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.8 t -72.36 -45.81 58.21 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.546 -0.909 . . . . 2.86 108.546 -175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -54.86 -45.55 74.58 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.448 -0.342 . . . . 0.61 110.606 176.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 29.6 mtt85 -63.37 -51.32 66.37 Favored 'General case' 0 N--CA 1.432 -1.368 0 C-N-CA 118.754 -1.178 . . . . 4.25 110.0 175.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.94 -46.27 10.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.735 1.152 . . . . 3.29 112.121 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.123 HG11 HD21 ' A' ' 44' ' ' LEU . 56.1 t -57.54 -63.39 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-O 119.294 -0.384 . . . . 0.58 110.414 174.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 12.3 pt-20 -60.33 -36.01 76.98 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 118.727 -1.189 . . . . 2.06 108.111 -170.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -63.12 -40.1 96.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.443 1.497 . . . . 0.74 110.591 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -19.85 27.88 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.899 0.88 . . . . 0.42 112.263 170.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.589 HG22 HG13 ' A' ' 56' ' ' VAL . 60.1 t -98.63 -46.64 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 125.056 1.343 . . . . 1.76 110.389 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -61.55 -30.91 70.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 120.406 -1.433 . . . . 2.64 109.674 -175.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -63.94 -15.35 58.95 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 117.722 -1.132 . . . . 0.49 113.57 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -102.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.457 1.026 . . . . 0.52 110.014 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 173.68 -50.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.439 1.496 . . . . 0.46 108.564 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.71 -24.76 73.75 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.34 -0.846 . . . . 0.67 112.741 -171.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.476 HG11 HG12 ' A' ' 26' ' ' VAL . 54.0 t -51.41 137.6 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.694 0.798 . . . . 0.36 109.889 174.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -99.92 -51.68 3.64 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.497 -1.297 . . . . 2.21 107.497 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -149.1 163.68 36.88 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.29 -1.004 . . . . 1.58 108.29 -170.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -155.44 134.18 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 107.805 -1.183 . . . . 1.57 107.805 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -125.82 102.28 7.23 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.268 1.427 . . . . 2.59 107.738 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 m -94.51 134.43 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 126.932 2.093 . . . . 1.62 105.726 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.7 tp -128.26 118.38 23.19 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.866 0.466 . . . . 0.52 109.965 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 17.7 m-85 -60.7 163.77 5.26 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 125.827 1.651 . . . . 2.5 112.701 171.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.29 -52.4 0.35 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.488 2.315 . . . . 1.4 112.393 -174.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 m -67.56 -27.49 66.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.468 1.107 . . . . 1.1 110.552 173.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.61 38.1 29.74 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.944 1.297 . . . . 4.22 110.264 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.03 129.32 36.36 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.159 -1.052 . . . . 1.39 108.159 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.123 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -102.45 120.09 39.93 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 105.754 -1.943 . . . . 1.64 105.754 167.357 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.8 t -125.93 110.91 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 109.167 -0.679 . . . . 0.79 109.167 168.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.0 t -103.21 135.03 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 C-N-CA 123.722 0.809 . . . . 0.41 109.102 173.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.36 111.69 18.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.822 1.249 . . . . 2.25 108.093 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.578 ' HB3' ' HE2' ' A' ' 6' ' ' TYR . . . -133.38 -179.58 5.6 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.328 1.451 . . . . 1.24 109.585 -175.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.06 51.56 2.03 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 124.155 0.982 . . . . 2.16 109.008 -176.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.441 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 10.7 p-10 -175.23 -34.25 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 114.273 1.212 . . . . 2.8 114.273 -167.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 73.43 115.1 0.06 Allowed 'General case' 0 C--N 1.34 0.154 0 C-N-CA 126.608 1.963 . . . . 3.68 111.627 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -147.02 33.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.147 -1.057 . . . . 0.58 108.147 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -61.13 -46.17 91.69 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 121.667 -0.646 . . . . 2.67 110.864 -172.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.01 -32.01 69.33 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 123.776 0.673 . . . . 0.3 110.649 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.74 -40.91 54.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.611 -0.68 . . . . 2.72 109.207 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.834 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.9 t -66.56 -50.24 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 N-CA-C 108.379 -0.971 . . . . 0.41 108.379 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.486 ' HA ' HD21 ' A' ' 67' ' ' LEU . 7.4 tm-20 -44.05 -63.17 0.92 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.127 -1.416 . . . . 3.27 110.868 168.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 t -48.38 -43.52 33.88 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.44 1.473 . . . . 0.59 110.813 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.84 63.44 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.724 0.638 . . . . 0.34 112.724 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.658 HD21 HG13 ' A' ' 22' ' ' VAL . 32.8 mt -62.27 -43.6 98.45 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.487 1.115 . . . . 1.04 109.939 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -56.84 9.29 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.628 1.171 . . . . 2.89 108.939 172.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -61.21 -45.62 93.8 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 121.286 -0.166 . . . . 3.98 111.122 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.61 -32.64 67.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.032 0.933 . . . . 0.46 110.728 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.69 38.69 0.57 Allowed Glycine 0 CA--C 1.522 0.491 0 C-N-CA 124.321 0.962 . . . . 0.68 111.594 164.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -128.18 120.67 27.75 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.739 0.769 . . . . 2.21 109.443 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -81.71 114.95 20.71 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.542 -1.281 . . . . 1.45 107.542 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.594 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.2 pp -112.73 -178.13 3.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.168 0.987 . . . . 0.85 110.455 176.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -134.43 119.02 18.05 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.109 -1.441 . . . . 2.94 107.109 166.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.42 109.62 0.72 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.697 1.599 . . . . 4.2 109.193 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.25 177.53 5.82 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 122.262 1.03 . . . . 2.92 111.329 -173.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -56.93 168.71 0.6 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.134 1.374 . . . . 3.55 110.993 164.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.7 -61.39 2.39 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.646 -0.706 . . . . 2.1 110.288 176.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.89 161.97 41.68 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.696 1.198 . . . . 2.34 108.003 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 C--O 1.256 1.438 0 N-CA-C 103.586 -2.746 . . . . 7.77 103.586 172.182 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 110.585 -0.154 . . . . 5.51 110.585 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 137.08 103.89 0.67 Allowed Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.759 -1.337 . . . . 1.23 109.759 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.26 154.88 31.54 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.883 -0.784 . . . . 0.91 108.883 168.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -106.57 135.99 47.14 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 125.189 1.556 . . . . 3.34 108.514 172.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.607 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 30.3 m-85 -122.55 131.85 54.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.449 1.1 . . . . 2.5 112.174 172.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 m -108.03 147.38 31.22 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.212 0.945 . . . . 1.99 110.929 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.636 ' CZ2' HG11 ' A' ' 56' ' ' VAL . 1.2 m-90 -137.51 159.87 40.75 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.883 1.673 . . . . 1.1 108.881 168.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HD2' ' HG2' ' A' ' 70' ' ' GLU . 6.1 ptmt -122.44 123.27 40.93 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 126.633 1.973 . . . . 1.89 107.558 174.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.473 HG13 ' HB3' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -120.09 -176.65 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.723 1.609 . . . . 1.34 111.643 -177.04 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -150.5 123.58 8.81 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.151 1.78 . . . . 1.48 107.467 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.25 -20.21 4.24 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.685 1.612 . . . . 0.84 113.802 171.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.42 82.92 3.74 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 124.172 0.989 . . . . 5.11 111.35 -175.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -139.12 85.91 2.1 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.071 -0.714 . . . . 3.2 109.071 160.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -154.43 -93.92 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.693 -0.63 . . . . 2.6 110.484 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.51 -59.36 0.03 OUTLIER 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.85 0.86 . . . . 1.97 108.977 174.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.12 -33.52 67.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.089 0.956 . . . . 0.76 111.795 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 m -69.13 -34.06 74.44 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.503 -0.925 . . . . 1.68 108.503 -175.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.28 90.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.486 -0.485 . . . . 0.63 110.197 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -61.38 -50.98 70.68 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 118.893 -1.123 . . . . 3.83 110.17 174.371 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -44.61 -47.0 10.37 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.773 1.17 . . . . 3.12 112.021 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.39 -60.85 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 123.571 0.748 . . . . 0.48 110.907 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 15.2 pt-20 -63.43 -37.24 86.53 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 118.62 -1.232 . . . . 1.98 108.433 -172.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -64.48 -36.56 84.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.74 1.216 . . . . 0.64 110.503 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -21.38 24.25 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.878 0.471 . . . . 0.46 112.234 169.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.576 HG22 HG13 ' A' ' 56' ' ' VAL . 45.8 t -103.91 -41.33 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.931 1.292 . . . . 1.84 110.857 -178.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -63.54 -32.63 74.15 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 119.932 -1.73 . . . . 2.48 109.566 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -61.71 -13.07 19.69 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.357 1.243 . . . . 0.53 114.357 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.61 -110.36 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.544 1.066 . . . . 0.58 109.37 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 179.85 -48.97 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 124.457 1.103 . . . . 0.43 109.02 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.2 -9.99 85.36 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 115.504 -0.771 . . . . 0.53 113.355 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.444 HG21 HG12 ' A' ' 26' ' ' VAL . 49.0 t -64.33 150.65 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.019 0.928 . . . . 0.54 109.231 170.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -140.27 -6.24 1.22 Allowed 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 115.059 1.503 . . . . 2.58 115.059 166.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -158.24 145.45 17.93 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 105.222 -2.14 . . . . 1.52 105.222 -176.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -147.02 128.26 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 124.485 1.114 . . . . 2.76 108.907 -169.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -127.96 92.11 3.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.027 0.931 . . . . 1.81 110.153 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.411 HG22 HD21 ' A' ' 44' ' ' LEU . 12.7 t -92.9 101.5 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 126.372 1.869 . . . . 2.15 108.208 173.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.8 tp -104.01 110.63 22.87 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.6 -0.889 . . . . 0.49 108.6 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.26 165.79 2.5 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.596 0.758 . . . . 2.24 111.198 168.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.5 -50.15 0.66 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 126.345 1.858 . . . . 1.18 111.94 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -70.52 -24.89 62.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.256 -0.646 . . . . 1.01 109.256 167.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 56.3 37.97 29.33 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.946 1.298 . . . . 4.55 108.773 178.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.55 130.35 54.19 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 105.937 -1.875 . . . . 1.43 105.937 -166.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -99.83 136.01 40.39 Favored 'General case' 0 N--CA 1.414 -2.246 0 N-CA-C 108.02 -1.104 . . . . 1.16 108.02 -178.168 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -123.39 147.55 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 O-C-N 124.469 1.106 . . . . 0.71 110.385 154.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.04 125.44 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 105.816 -1.92 . . . . 0.38 105.816 172.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -104.54 120.72 41.92 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.471 -1.677 . . . . 2.33 106.471 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -152.6 122.41 6.94 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 123.04 0.536 . . . . 0.78 111.179 -163.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 57.71 2.65 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.271 -0.64 . . . . 2.33 109.271 -169.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -29.9 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.085 1.513 . . . . 3.07 115.085 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 91.08 106.75 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.827 2.051 . . . . 5.01 110.373 171.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pp -148.14 31.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 123.027 0.531 . . . . 0.52 111.29 -167.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.583 ' HD2' ' HZ3' ' A' ' 8' ' ' TRP . 2.2 mmt180 -54.28 -51.21 65.3 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.58 -0.7 . . . . 4.07 110.642 -175.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.74 71.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.668 0.787 . . . . 0.32 110.179 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -73.69 -42.1 61.71 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.222 -0.659 . . . . 2.99 109.222 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.636 HG11 ' CZ2' ' A' ' 8' ' ' TRP . 55.8 t -64.89 -50.74 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 108.871 -0.789 . . . . 0.47 108.871 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -47.06 -60.05 2.72 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 117.822 -1.085 . . . . 2.24 110.834 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.7 t -46.73 -48.49 20.38 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.446 1.021 . . . . 0.68 110.579 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.76 84.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.444 0.535 . . . . 0.36 112.444 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.474 HD12 HG12 ' A' ' 56' ' ' VAL . 66.8 mt -70.6 -40.07 73.42 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.915 0.886 . . . . 1.16 111.412 -176.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -49.87 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.184 -0.673 . . . . 2.6 109.184 169.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.32 -43.47 98.82 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.381 -0.199 . . . . 4.03 111.306 176.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.28 69.06 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.698 0.799 . . . . 0.44 110.609 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.47 47.35 0.42 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 123.931 0.777 . . . . 0.81 111.501 164.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -138.06 150.17 46.67 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 108.707 -0.849 . . . . 2.05 108.707 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 p -98.64 114.48 26.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.962 -1.125 . . . . 1.38 107.962 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' HB3' HG13 ' A' ' 10' ' ' VAL . 3.7 pp -106.94 176.55 5.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.091 0.556 . . . . 0.78 110.313 166.249 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -127.67 147.27 50.37 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 103.713 -2.699 . . . . 4.85 103.713 157.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -65.74 123.34 19.48 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 107.142 -1.429 . . . . 2.8 107.142 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG2' ' HD2' ' A' ' 9' ' ' LYS . 1.4 mm-40 -89.65 -179.82 5.86 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.673 -0.694 . . . . 2.53 110.635 176.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.76 174.27 1.47 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 119.502 -0.879 . . . . 4.45 110.939 168.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.89 -67.75 0.75 Allowed 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.55 -0.907 . . . . 1.72 108.55 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.8 -52.41 0.08 Allowed 'General case' 0 C--O 1.23 0.072 0 C-N-CA 124.877 1.271 . . . . 2.45 107.76 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--O 1.249 1.032 0 N-CA-C 104.29 -2.485 . . . . 8.08 104.29 145.238 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 105.279 -2.119 . . . . 4.81 105.279 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.64 173.33 19.25 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 107.63 -2.188 . . . . 1.18 107.63 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.08 134.66 30.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 117.721 0.761 . . . . 1.86 110.166 -171.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -96.86 140.2 31.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.957 1.303 . . . . 5.57 107.532 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.61 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 39.6 m-85 -134.04 123.33 24.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.873 1.269 . . . . 1.73 109.469 176.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.481 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 61.2 p -101.92 152.05 21.39 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 123.772 0.67 . . . . 2.07 110.943 176.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.81 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -133.86 170.02 16.22 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.654 -1.239 . . . . 1.06 107.654 166.133 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 4.5 mppt? -115.24 120.41 39.62 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 105.031 -2.211 . . . . 1.95 105.031 166.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.419 HG21 HD23 ' A' ' 44' ' ' LEU . 2.8 t -103.3 166.16 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 118.907 0.776 . . . . 1.15 109.0 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 t -145.05 115.04 7.41 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.997 -1.112 . . . . 1.15 107.997 164.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.42 -44.35 0.88 Allowed Glycine 0 CA--C 1.526 0.728 0 C-N-CA 123.448 0.547 . . . . 0.72 112.025 168.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.57 96.34 1.18 Allowed 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.283 -0.54 . . . . 1.88 111.162 -177.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -143.04 93.25 2.48 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.377 0.671 . . . . 3.12 109.469 166.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.26 -84.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.627 0.771 . . . . 2.38 109.936 169.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.93 -57.75 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.34 1.456 . . . . 2.18 108.6 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.23 63.77 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.998 -0.546 . . . . 0.85 111.615 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 m -72.84 -41.38 64.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.518 -0.919 . . . . 1.76 108.518 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.621 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.46 -40.53 91.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.606 -0.437 . . . . 0.55 110.454 174.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 83.8 mtm180 -61.8 -53.74 51.86 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 118.533 -1.267 . . . . 4.6 110.892 171.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -44.66 -46.75 10.38 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.853 1.206 . . . . 2.94 111.731 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.726 ' CG1' HD21 ' A' ' 44' ' ' LEU . 29.4 t -58.24 -63.07 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 124.757 1.223 . . . . 0.58 111.59 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 24' ' ' ASN . 10.7 pt-20 -56.98 -46.9 81.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 105.874 -1.899 . . . . 2.07 105.874 -172.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.478 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 24.3 m-80 -65.19 -37.33 86.99 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 123.316 0.646 . . . . 0.49 109.672 -172.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -21.98 41.49 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.475 0.71 . . . . 0.42 112.78 170.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 HG13 ' A' ' 56' ' ' VAL . 48.1 t -91.96 -50.32 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.017 1.327 . . . . 1.69 110.371 172.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -61.23 -26.75 67.96 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 120.147 -1.596 . . . . 2.75 111.202 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -62.37 -14.29 38.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.662 0.986 . . . . 0.78 113.662 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -119.71 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.177 0.899 . . . . 0.62 109.401 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.45 -48.84 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.204 0 O-C-N 121.323 -0.861 . . . . 0.48 109.247 -176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.02 -21.99 79.44 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.53 -0.759 . . . . 0.6 112.011 -177.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.413 HG11 HG12 ' A' ' 26' ' ' VAL . 72.0 t -53.47 128.63 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.998 -0.742 . . . . 0.39 108.998 168.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -133.43 -3.32 3.02 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.503 0.927 . . . . 2.57 113.503 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.96 160.26 40.98 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 105.615 -1.994 . . . . 1.5 105.615 162.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -157.17 136.36 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.999 -1.111 . . . . 1.45 107.999 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -124.35 111.12 15.42 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.713 -1.217 . . . . 2.5 107.713 170.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -95.4 119.74 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 105.538 -2.023 . . . . 2.15 105.538 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 tp -119.42 111.46 18.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.178 -1.045 . . . . 0.41 108.178 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 28.0 m-85 -61.53 159.17 13.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 124.178 0.924 . . . . 2.19 111.74 172.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 75.21 -42.26 0.48 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 128.546 2.739 . . . . 1.42 110.796 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.0 m -71.72 -22.41 61.64 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.042 0.937 . . . . 1.12 110.141 164.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.59 42.72 19.56 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.842 1.257 . . . . 3.97 111.472 -172.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.68 122.57 39.75 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.317 -1.364 . . . . 1.44 107.317 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.726 HD21 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -98.09 118.84 35.6 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 103.243 -2.873 . . . . 1.55 103.243 161.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -121.93 114.0 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.72 0 N-CA-C 108.635 -0.876 . . . . 0.7 108.635 161.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.2 t -102.37 133.9 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.026 -1.101 . . . . 0.46 108.026 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.71 104.84 13.21 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.601 -1.259 . . . . 3.03 107.601 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.26 134.57 42.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.097 0.959 . . . . 0.6 110.421 -170.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -85.66 57.33 4.41 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 108.482 -0.933 . . . . 1.85 108.482 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.24 150.63 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 128.235 2.614 . . . . 1.82 108.707 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -74.94 121.67 22.28 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.528 1.058 . . . . 3.25 109.375 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.424 HD13 HG23 ' A' ' 56' ' ' VAL . 1.8 pp -142.72 23.9 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 109.608 -0.516 . . . . 0.55 109.608 -179.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.9 mtm-85 -63.2 -44.04 96.45 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 121.223 -0.923 . . . . 2.72 111.524 -172.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.13 65.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.016 0.822 . . . . 0.33 109.882 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -78.46 -44.06 25.6 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.536 -0.542 . . . . 2.86 109.536 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.81 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 41.4 t -63.86 -46.87 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 119.509 -0.876 . . . . 0.37 108.663 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -47.81 -60.42 2.59 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.945 -1.026 . . . . 2.32 110.999 170.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.5 t -46.55 -48.65 19.42 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.346 0.975 . . . . 0.52 110.264 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.61 -51.12 71.18 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.373 0.508 . . . . 0.25 112.373 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.421 HD12 HG12 ' A' ' 56' ' ' VAL . 74.1 mt -65.93 -42.02 90.63 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.552 1.141 . . . . 1.02 111.508 -176.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -49.01 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.636 -0.876 . . . . 2.2 108.636 174.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -62.64 -42.68 99.73 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 121.477 -0.089 . . . . 4.56 110.994 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.1 77.05 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.963 0.905 . . . . 0.46 110.305 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.35 45.69 0.29 Allowed Glycine 0 CA--C 1.523 0.572 0 C-N-CA 124.171 0.891 . . . . 0.52 111.665 166.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -127.66 133.82 49.63 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 108.367 -0.975 . . . . 1.89 108.367 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.2 p -82.54 123.5 29.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.976 -1.861 . . . . 1.86 105.976 172.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.3 pp -125.98 176.87 6.69 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 123.879 0.737 . . . . 0.75 109.445 169.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mtp-105 -128.31 140.94 51.6 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.614 -2.365 . . . . 5.01 104.614 156.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.27 141.48 58.6 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 106.567 -1.642 . . . . 3.01 106.567 171.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.459 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.3 mm-40 -105.97 177.62 4.8 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 113.41 -1.723 . . . . 2.96 111.402 172.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -59.49 166.16 2.51 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.511 -1.222 . . . . 3.4 111.77 172.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.6 -61.47 1.88 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.953 0.882 . . . . 1.68 109.881 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.22 171.39 19.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 106.503 -1.665 . . . . 2.29 106.503 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 125.882 1.673 . . . . 7.58 111.296 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.464 0.23 0 N-CA-C 106.231 -1.766 . . . . 5.52 106.231 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.44 -172.11 31.05 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.617 -0.593 . . . . 1.68 111.617 178.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -98.96 144.79 27.73 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.397 -1.334 . . . . 0.85 107.397 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -99.21 123.9 43.85 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.841 -1.072 . . . . 3.48 108.691 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.678 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.0 m-85 -108.83 133.35 52.99 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.62 1.568 . . . . 1.8 111.785 174.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.408 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 43.5 t -106.39 153.13 22.68 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.548 0.739 . . . . 2.02 110.105 172.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.882 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -139.03 159.09 42.97 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.888 1.275 . . . . 1.04 109.239 164.682 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.477 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 3.0 mppt? -105.91 123.97 48.83 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 105.441 -2.059 . . . . 1.86 105.441 168.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -105.03 166.83 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 124.419 1.087 . . . . 1.07 109.803 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -136.39 117.99 14.92 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.158 1.383 . . . . 1.07 107.701 164.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.42 -30.04 3.21 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 126.23 1.871 . . . . 0.98 111.639 176.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 22' ' ' VAL . 33.3 ttp -77.06 75.73 3.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 121.646 -0.914 . . . . 2.2 110.933 -173.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.62 59.96 1.33 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.951 0.882 . . . . 3.53 111.119 167.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.83 145.09 18.24 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.288 -0.634 . . . . 2.4 109.288 170.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 64.75 0.64 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 122.477 1.132 . . . . 2.86 113.509 -171.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.0 -48.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.661 1.985 . . . . 1.17 108.191 -171.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.2 m -68.91 -36.08 77.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.377 -0.971 . . . . 1.8 108.377 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -53.41 -50.51 65.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 119.495 -0.288 . . . . 0.52 110.886 175.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -58.87 -50.76 72.78 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.631 -0.828 . . . . 3.47 110.329 176.322 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -49.0 -46.16 43.47 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.645 -0.659 . . . . 3.13 111.832 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.501 HG21 ' SD ' ' A' ' 13' ' ' MET . 36.3 t -58.59 -59.01 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 123.407 0.683 . . . . 0.46 111.089 176.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 26' ' ' VAL . 16.4 pt-20 -62.8 -45.54 92.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.915 -1.142 . . . . 2.12 107.915 -170.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -59.9 -41.35 91.46 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 121.568 -0.708 . . . . 0.49 109.729 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -19.33 22.23 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 113.09 0.774 . . . . 0.38 113.09 174.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.66 HG12 HG13 ' A' ' 56' ' ' VAL . 8.2 m -100.9 -38.97 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 119.396 0.998 . . . . 1.85 112.738 172.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -59.71 -31.46 69.62 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.569 -0.707 . . . . 3.49 109.202 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -64.87 -14.92 61.11 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.468 0.914 . . . . 1.19 113.468 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.49 -112.57 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.653 0.66 . . . . 0.54 109.795 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.99 -49.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.917 0.887 . . . . 0.38 108.621 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.0 -9.04 87.49 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 115.297 -0.865 . . . . 0.49 113.31 -173.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.1 t -72.94 129.77 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 124.046 0.938 . . . . 0.71 109.422 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -98.9 -63.71 1.1 Allowed 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.678 -0.86 . . . . 2.12 108.678 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -137.65 104.46 5.33 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.976 0.911 . . . . 1.4 108.55 -161.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 p -93.12 137.36 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.858 0.863 . . . . 1.46 110.395 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -123.07 90.38 3.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.326 1.45 . . . . 1.74 109.725 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -89.3 117.65 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 105.453 -2.054 . . . . 1.67 105.453 166.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.0 tp -120.23 113.84 21.01 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 106.913 -1.514 . . . . 0.52 106.913 174.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 32.7 m-85 -61.14 167.04 3.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.624 0.77 . . . . 2.66 111.373 172.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.98 -47.02 0.57 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.67 2.388 . . . . 1.17 112.703 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m -69.15 -26.07 64.69 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.562 0.745 . . . . 1.08 108.991 170.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 55.52 35.02 24.28 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.177 1.391 . . . . 4.34 110.278 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.09 138.57 51.53 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.564 -1.273 . . . . 2.94 107.564 -176.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -100.64 139.02 36.92 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 107.115 -1.439 . . . . 1.34 107.115 177.613 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -124.79 147.51 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 O-C-N 123.711 0.632 . . . . 0.62 110.094 159.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.0 t -137.38 121.43 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 125.439 1.496 . . . . 0.42 107.537 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.68 123.97 39.49 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 106.702 -1.592 . . . . 4.03 106.702 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.65 135.29 18.5 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.105 0.562 . . . . 0.51 110.419 -173.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.68 57.91 4.62 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.24 -0.652 . . . . 2.11 109.24 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 169.91 161.7 0.06 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.763 2.025 . . . . 1.68 109.232 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -82.4 112.6 19.5 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.299 0.639 . . . . 3.99 110.154 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.423 HD13 HG23 ' A' ' 56' ' ' VAL . 1.4 pp -134.22 18.56 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 124.24 1.016 . . . . 0.63 111.354 177.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -61.47 -47.63 84.81 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.726 -1.234 . . . . 3.61 110.982 -169.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.43 -31.18 67.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 123.929 0.768 . . . . 0.28 110.356 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -76.05 -44.97 36.64 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.506 -0.553 . . . . 2.97 109.506 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.882 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 33.0 t -63.36 -49.63 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 108.506 -0.924 . . . . 0.37 108.506 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HA ' HD21 ' A' ' 67' ' ' LEU . 43.1 tt0 -49.92 -59.92 3.41 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.88 -1.057 . . . . 2.42 110.625 174.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 t -47.76 -45.79 29.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.437 1.017 . . . . 0.53 110.518 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.19 -50.8 70.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.559 0.743 . . . . 0.36 112.628 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.492 HD12 HG12 ' A' ' 56' ' ' VAL . 15.9 mt -68.1 -42.32 80.5 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.425 1.09 . . . . 0.97 110.516 -177.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -53.98 45.49 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.598 -0.728 . . . . 2.59 109.603 173.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -65.27 -36.14 83.18 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.622 -0.831 . . . . 4.99 111.663 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.03 72.18 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.032 -0.418 . . . . 0.55 110.655 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.62 44.17 0.56 Allowed Glycine 0 CA--C 1.523 0.549 0 C-N-CA 124.284 0.945 . . . . 0.69 111.61 167.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -131.77 130.2 41.55 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 108.775 -0.824 . . . . 2.07 108.775 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -86.24 110.35 19.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.296 -1.372 . . . . 1.97 107.296 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.623 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.8 pp -97.95 177.87 5.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.696 0.623 . . . . 0.94 111.031 170.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -130.01 139.63 51.0 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.924 -1.88 . . . . 3.47 105.924 159.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -74.66 112.32 10.74 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.903 -1.147 . . . . 3.12 107.903 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.477 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.5 mm-40 -77.71 -178.77 5.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.816 -0.753 . . . . 2.41 110.694 176.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -66.32 161.55 22.16 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.863 0.865 . . . . 3.41 110.232 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.81 67.16 5.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.841 -0.537 . . . . 2.93 109.688 173.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.51 58.31 0.53 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.346 1.459 . . . . 2.45 112.147 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 C--O 1.251 1.168 0 N-CA-C 103.206 -2.887 . . . . 7.31 103.206 152.701 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 CA--C 1.529 0.158 0 N-CA-C 108.309 -0.997 . . . . 5.38 108.309 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.33 147.22 50.59 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.546 -1.022 . . . . 1.16 110.546 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.02 150.98 52.01 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 107.669 -1.234 . . . . 1.09 107.669 168.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -98.59 138.31 35.96 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.703 -1.589 . . . . 5.3 108.759 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.656 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.1 m-85 -118.63 135.17 54.6 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.731 2.012 . . . . 2.07 110.678 172.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.441 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 17.2 t -110.21 153.0 25.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.174 0.99 . . . . 2.06 109.813 174.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.882 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 5.7 m-90 -138.25 156.54 47.57 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 124.418 1.087 . . . . 1.04 109.109 168.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -111.73 109.53 19.43 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 106.271 -1.751 . . . . 1.9 106.271 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 11' ' ' SER . 1.7 t -100.91 178.37 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.102 0.961 . . . . 1.46 110.268 -175.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.505 ' H ' HG12 ' A' ' 10' ' ' VAL . 13.2 m -153.43 106.93 2.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.016 1.326 . . . . 1.4 108.536 173.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.14 -34.65 1.82 Allowed Glycine 0 CA--C 1.529 0.924 0 C-N-CA 125.081 1.324 . . . . 0.98 112.34 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -73.78 99.49 3.19 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.977 -0.719 . . . . 2.1 110.668 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -151.87 77.37 1.22 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.257 0.623 . . . . 3.27 110.07 170.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -155.55 -93.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.042 0.937 . . . . 2.39 110.385 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.11 -56.95 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.083 1.353 . . . . 2.23 108.738 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.31 -34.78 58.81 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.561 -0.745 . . . . 0.84 111.108 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.1 m -72.61 -43.56 63.14 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.258 -1.015 . . . . 1.66 108.258 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.652 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -56.13 -47.67 77.69 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.869 -0.419 . . . . 0.61 109.869 176.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.48 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 33.7 mtt-85 -63.57 -53.51 50.67 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.183 -1.007 . . . . 3.11 109.84 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -48.62 -40.58 28.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.2 -0.938 . . . . 4.25 111.948 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.443 HG11 HD21 ' A' ' 44' ' ' LEU . 47.8 t -61.5 -62.06 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 123.376 0.67 . . . . 0.7 110.553 171.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.48 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 11.8 pt-20 -59.38 -43.54 92.88 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 107.83 -1.174 . . . . 1.85 107.83 -169.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -59.88 -41.22 91.07 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.802 1.241 . . . . 0.59 109.754 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -58.92 -22.47 59.76 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.046 0.758 . . . . 0.71 113.046 171.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.567 HG12 HG11 ' A' ' 32' ' ' VAL . 46.9 t -91.14 -39.38 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.889 1.276 . . . . 1.72 110.924 172.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -66.24 -34.77 78.76 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 119.704 -1.872 . . . . 2.56 109.676 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -60.85 -14.78 24.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.563 1.32 . . . . 0.69 114.563 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.86 -104.06 0.0 OUTLIER 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.65 1.114 . . . . 0.6 110.925 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 174.88 -52.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.631 1.172 . . . . 0.41 108.824 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.63 -18.49 78.65 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 115.172 -0.922 . . . . 0.38 112.813 -173.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.567 HG11 HG12 ' A' ' 26' ' ' VAL . 53.0 t -62.47 132.2 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 124.675 1.19 . . . . 0.37 109.693 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -99.0 -62.75 1.19 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.173 -1.047 . . . . 2.09 108.173 173.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -140.51 105.57 4.99 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.197 0.999 . . . . 1.38 108.553 -163.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -101.15 134.11 42.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 123.977 0.911 . . . . 1.46 109.213 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -134.92 104.09 5.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 122.668 1.223 . . . . 1.68 109.078 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.443 HG12 ' CD2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -95.17 127.63 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 127.828 2.451 . . . . 1.57 105.985 177.362 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.2 tp -125.88 123.04 37.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.161 -1.052 . . . . 0.46 108.161 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 29.8 m-85 -71.51 170.03 14.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.553 0.741 . . . . 2.17 112.526 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 69.72 -48.25 0.61 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.457 2.303 . . . . 1.35 112.635 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -67.94 -25.68 65.58 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.843 0.857 . . . . 1.03 109.458 169.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 55.1 33.7 20.98 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.616 1.566 . . . . 4.25 111.063 179.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.14 137.2 47.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.935 -1.135 . . . . 1.32 107.935 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.443 ' CD2' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.42 142.28 33.04 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.088 -1.449 . . . . 1.12 107.088 177.061 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.23 139.77 49.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 118.75 0.704 . . . . 0.8 111.858 165.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -133.9 123.92 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 C-N-CA 125.202 1.401 . . . . 0.4 108.187 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -96.52 124.11 40.4 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.228 -1.397 . . . . 4.2 107.228 167.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.2 134.99 18.8 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.448 0.467 . . . . 0.57 111.065 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.9 56.94 3.26 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.427 0.691 . . . . 2.33 109.689 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 172.2 170.21 0.11 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.855 1.662 . . . . 1.71 109.193 175.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -80.86 110.77 16.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.58 1.952 . . . . 4.66 109.695 171.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.419 HD13 HG23 ' A' ' 56' ' ' VAL . 1.6 pp -138.84 19.31 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 O-C-N 121.687 -0.633 . . . . 0.59 111.229 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -64.71 -47.11 79.54 Favored 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 120.701 -1.249 . . . . 2.57 110.924 -169.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.0 -31.03 69.54 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.34 109.823 173.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -44.38 71.56 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.118 -0.697 . . . . 2.68 109.118 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.882 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 44.9 t -66.55 -55.54 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 107.769 -1.197 . . . . 0.36 107.769 -179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -43.75 -58.57 2.64 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 117.43 -1.272 . . . . 2.41 109.79 175.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.5 t -45.26 -41.9 9.02 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.728 1.149 . . . . 0.62 111.358 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -68.29 -45.63 72.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.194 0.598 . . . . 0.29 110.791 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mp -68.4 -39.76 81.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.634 -0.666 . . . . 1.86 111.615 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.98 -54.52 46.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.358 -1.349 . . . . 3.07 107.358 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -32.57 70.94 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 111.849 0.314 . . . . 4.55 111.849 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.55 83.55 Favored 'General case' 0 C--N 1.34 0.186 0 O-C-N 121.671 -0.643 . . . . 0.79 111.161 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.75 47.03 0.54 Allowed Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.744 1.164 . . . . 0.56 111.836 173.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -131.03 122.64 27.13 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 108.28 -1.008 . . . . 1.9 108.28 173.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -83.74 121.8 27.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.238 -1.023 . . . . 1.71 108.238 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 pp -123.77 177.06 5.9 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.767 0.827 . . . . 0.83 111.56 173.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -129.21 122.09 28.99 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 105.497 -2.038 . . . . 4.07 105.497 169.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.39 124.17 19.85 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.555 -1.276 . . . . 4.11 107.555 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -177.52 3.54 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 122.981 1.372 . . . . 2.77 109.483 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -66.53 161.21 23.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.723 -1.58 . . . . 3.3 109.827 177.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.27 67.34 2.51 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.57 -0.741 . . . . 2.66 109.331 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 72.81 -179.98 0.22 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.067 1.747 . . . . 2.33 111.893 -175.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.261 1.709 0 N-CA-C 100.823 -3.769 . . . . 5.6 100.823 153.194 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 104.368 -2.456 . . . . 4.86 104.368 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.02 142.23 18.18 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 108.496 -1.842 . . . . 1.24 108.496 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.21 149.31 41.31 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 107.596 -1.261 . . . . 1.13 107.596 175.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -99.76 144.57 28.68 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 107.781 -1.192 . . . . 3.29 107.781 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.606 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 15.1 m-85 -130.88 132.89 45.43 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.192 1.797 . . . . 1.75 109.749 170.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.438 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 94.1 p -108.99 154.64 21.89 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 118.822 0.737 . . . . 1.87 110.892 173.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.776 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -141.11 159.9 41.24 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.603 0.761 . . . . 1.06 109.841 169.377 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -111.51 96.2 5.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.846 1.659 . . . . 2.16 107.754 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.48 142.45 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 124.483 1.113 . . . . 1.43 109.763 -173.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 t -135.63 70.12 1.43 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.068 0.947 . . . . 1.23 108.839 -162.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.57 -38.96 0.03 OUTLIER Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.952 -0.642 . . . . 0.67 112.007 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.56 111.98 4.46 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 118.655 -1.218 . . . . 2.36 110.959 175.25 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -145.37 72.86 1.33 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.132 0.973 . . . . 3.46 111.547 172.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.9 t -165.72 -63.03 0.03 OUTLIER 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.8 -0.562 . . . . 2.89 111.624 169.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 150.08 -53.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 127.972 2.509 . . . . 2.41 108.992 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.04 -38.73 65.5 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.276 0.56 . . . . 1.36 110.889 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -67.16 -33.6 75.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.284 1.033 . . . . 3.06 109.763 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.16 90.07 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.36 -0.608 . . . . 0.77 109.36 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 92.3 mtt180 -62.22 -46.82 87.18 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 119.716 -0.794 . . . . 2.54 110.147 176.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -49.71 -41.43 43.42 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.132 -0.98 . . . . 3.74 111.788 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.558 HG13 HD21 ' A' ' 60' ' ' LEU . 91.1 t -57.6 -60.49 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.939 0.896 . . . . 0.63 109.694 174.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 15.0 pt-20 -60.88 -45.93 92.62 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.956 -1.127 . . . . 1.99 107.956 -172.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -58.16 -40.61 81.86 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.25 1.02 . . . . 0.59 109.434 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 -21.96 62.35 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.012 0.745 . . . . 0.48 113.012 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 56' ' ' VAL . 40.2 t -92.47 -41.47 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.677 1.191 . . . . 1.75 110.662 173.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -62.13 -34.88 77.19 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 120.321 -1.487 . . . . 2.61 110.056 -174.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -58.81 -13.94 7.49 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.753 1.39 . . . . 0.51 114.753 176.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.41 -112.31 0.0 OUTLIER 'General case' 0 C--N 1.343 0.317 0 CA-C-N 119.987 1.267 . . . . 0.92 111.243 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.67 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.743 0.817 . . . . 0.36 109.462 -173.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.27 -12.43 84.59 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-N 115.705 -0.68 . . . . 0.46 113.034 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.51 HG21 HG12 ' A' ' 26' ' ' VAL . 52.8 t -64.05 139.09 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 C-N-CA 124.511 1.124 . . . . 0.44 108.929 173.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -108.93 -45.23 3.83 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.581 -0.896 . . . . 2.37 108.581 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -161.19 154.58 21.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.467 -1.309 . . . . 1.28 107.467 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.62 157.14 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 124.627 1.171 . . . . 2.13 110.536 -174.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.85 101.63 4.97 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.075 1.35 . . . . 4.13 110.867 170.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 m -95.54 76.36 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 127.909 2.484 . . . . 1.92 109.823 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.3 tp -93.66 90.58 6.67 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 105.479 -2.045 . . . . 1.29 105.479 -174.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -61.44 166.37 4.06 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 113.664 -1.607 . . . . 2.92 109.693 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.59 -49.76 0.7 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.132 1.373 . . . . 2.6 111.421 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 m -70.0 -3.52 16.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.825 0.85 . . . . 2.01 111.521 170.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 64.9 29.08 12.58 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.044 0.937 . . . . 6.18 110.795 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.56 121.57 17.8 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 121.24 -0.912 . . . . 1.67 112.425 -169.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.06 141.27 32.03 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 106.999 -1.482 . . . . 2.06 106.999 171.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -127.52 145.99 34.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 123.544 0.528 . . . . 0.71 111.368 156.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.3 t -132.52 129.17 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 125.794 1.638 . . . . 0.51 107.806 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.88 119.37 38.32 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.773 1.629 . . . . 2.23 108.764 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.68 144.13 24.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.029 1.332 . . . . 0.69 111.927 -163.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.95 56.74 1.73 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.039 0.936 . . . . 2.55 109.546 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 52.7 p-10 171.67 172.3 0.09 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.62 1.968 . . . . 1.69 107.45 173.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -86.12 123.68 31.69 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 118.948 0.794 . . . . 3.2 109.03 165.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -133.93 23.22 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.343 1.057 . . . . 0.73 110.057 166.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.425 HH22 ' CB ' ' A' ' 69' ' ' ASP . 6.0 mtp-105 -65.49 -50.13 66.47 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 120.108 -1.62 . . . . 3.1 111.662 -168.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.14 -24.29 62.89 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.437 -0.801 . . . . 0.34 109.531 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -48.22 33.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.215 -1.031 . . . . 2.65 108.215 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.776 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 43.1 t -64.11 -47.68 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 115.359 -0.837 . . . . 0.39 108.863 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.519 ' HA ' HD21 ' A' ' 67' ' ' LEU . 11.4 tm-20 -48.72 -61.33 2.09 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 117.508 -1.234 . . . . 2.93 111.474 171.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 t -50.48 -44.67 55.86 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.742 1.156 . . . . 0.58 110.232 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.75 72.65 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.719 0.637 . . . . 0.35 112.719 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.558 HD21 HG13 ' A' ' 22' ' ' VAL . 35.1 mt -66.03 -44.95 83.18 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.559 0.744 . . . . 1.05 109.995 -176.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.45 -52.15 55.58 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.34 -0.845 . . . . 3.53 109.347 173.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -62.39 -40.21 95.73 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.139 -0.35 . . . . 4.97 111.524 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.17 73.82 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.484 0.714 . . . . 0.56 110.333 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.62 54.93 0.22 Allowed Glycine 0 C--N 1.334 0.435 0 N-CA-C 110.254 -1.139 . . . . 0.56 110.254 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -132.44 175.36 9.36 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.92 -1.511 . . . . 1.83 106.92 171.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 p -121.55 121.12 36.73 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.285 -2.487 . . . . 1.91 104.285 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.599 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.4 pp -113.72 176.4 5.05 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.834 0.349 . . . . 0.94 110.858 170.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -132.39 128.99 38.76 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.404 -2.073 . . . . 3.58 105.404 165.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.425 ' CB ' HH22 ' A' ' 53' ' ' ARG . 0.9 OUTLIER -59.78 104.92 0.32 Allowed 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.95 1.3 . . . . 3.37 109.004 176.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.45 168.2 15.72 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.598 0.713 . . . . 3.0 111.669 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.3 pm0 -51.41 167.47 0.09 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.832 1.653 . . . . 3.84 112.049 167.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.46 -64.57 0.85 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.607 0.718 . . . . 1.69 110.059 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.58 -179.49 8.21 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 106.907 -1.516 . . . . 2.37 106.907 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 . . . . . 0 C--O 1.256 1.436 0 N-CA-C 104.05 -2.574 . . . . 5.14 104.05 153.028 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 108.049 -1.093 . . . . 4.47 108.049 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.19 168.79 54.84 Favored Glycine 0 C--O 1.242 0.602 0 N-CA-C 112.005 -0.438 . . . . 1.53 112.005 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.1 m -125.51 144.26 50.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.057 1.343 . . . . 1.28 111.425 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -98.41 138.16 36.05 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.786 -2.006 . . . . 5.68 108.102 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.642 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 21.8 m-85 -117.75 132.3 56.48 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 128.129 2.571 . . . . 1.98 110.487 166.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.2 t -113.52 150.37 33.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.101 1.36 . . . . 1.87 109.358 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.743 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -141.43 155.89 45.83 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 123.996 0.919 . . . . 1.14 111.447 169.178 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -111.18 101.1 9.64 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.914 1.685 . . . . 2.24 106.993 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -106.28 167.24 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 119.545 1.066 . . . . 1.29 110.619 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -139.66 102.72 4.51 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 107.814 -1.18 . . . . 1.05 107.814 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.93 -21.75 1.27 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 122.986 0.327 . . . . 0.92 113.215 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.55 ' SD ' HG21 ' A' ' 22' ' ' VAL . 8.2 mtm -64.81 108.89 1.88 Allowed 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.936 -0.743 . . . . 3.45 112.328 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.1 p-10 -142.16 -9.77 0.87 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.447 1.277 . . . . 4.85 114.447 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 m -122.77 141.65 51.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.663 1.12 . . . . 2.94 112.178 -161.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.26 -51.72 10.48 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.308 0.855 . . . . 2.11 113.308 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.35 75.18 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.384 0.674 . . . . 1.2 111.721 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -70.42 -40.63 73.72 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.628 -0.878 . . . . 1.73 108.628 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.747 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -55.66 -48.78 74.44 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.874 -0.417 . . . . 0.86 109.874 175.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 6.1 mtt85 -63.3 -52.27 62.64 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 118.599 -1.24 . . . . 3.6 110.874 176.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -48.63 -41.56 31.51 Favored 'General case' 0 C--O 1.223 -0.312 0 O-C-N 121.197 -0.939 . . . . 5.14 111.649 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.55 HG21 ' SD ' ' A' ' 13' ' ' MET . 42.5 t -62.09 -59.48 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.339 1.056 . . . . 0.67 112.33 175.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 26' ' ' VAL . 12.3 pt-20 -60.6 -44.78 95.88 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 106.835 -1.542 . . . . 1.88 106.835 -173.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -66.87 -32.09 73.13 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.075 -1.016 . . . . 0.72 111.065 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.76 -26.25 44.9 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-O 118.613 -0.708 . . . . 0.39 111.655 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.518 HG12 HG13 ' A' ' 56' ' ' VAL . 2.7 m -98.06 -43.98 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 118.931 0.787 . . . . 2.01 112.507 175.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -61.37 -25.7 67.34 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.47 -0.769 . . . . 2.53 110.894 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -67.72 -13.85 62.46 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 112.787 0.662 . . . . 0.52 112.787 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -112.41 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.883 0.873 . . . . 0.64 109.081 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.22 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.966 1.306 . . . . 0.33 108.514 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.51 -19.44 79.86 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 115.491 -0.777 . . . . 0.4 113.249 -173.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.79 131.35 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.457 0.703 . . . . 0.55 109.648 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -99.38 -51.03 3.91 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.383 -1.34 . . . . 2.07 107.383 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -147.21 155.25 41.93 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.197 -1.409 . . . . 1.44 107.197 -171.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.64 141.1 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.759 1.224 . . . . 1.44 109.285 -171.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 43.0 mt-30 -124.19 91.86 3.54 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.077 1.351 . . . . 1.83 108.932 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.4 101.33 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.824 1.25 . . . . 2.09 107.875 172.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -104.16 108.46 19.84 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.682 -0.858 . . . . 0.68 108.682 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 19.0 m-85 -63.09 168.27 4.26 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-O 121.361 0.601 . . . . 2.33 111.243 168.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.85 -47.67 0.65 Allowed 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 126.33 1.852 . . . . 1.13 111.803 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.36 4.14 21.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.247 1.019 . . . . 0.94 112.276 172.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 35.67 33.64 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.177 2.591 . . . . 4.63 115.142 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.67 130.03 56.1 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.903 -0.777 . . . . 1.34 108.903 -171.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -98.49 139.2 34.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.175 -1.787 . . . . 1.13 106.175 179.563 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 18.9 t -126.29 144.08 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 O-C-N 123.669 0.605 . . . . 0.69 109.845 160.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 67.0 t -132.9 125.03 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 106.133 -1.803 . . . . 0.37 106.133 176.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -110.78 99.43 8.36 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 106.554 -1.647 . . . . 2.74 106.554 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.02 143.07 49.8 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.028 1.331 . . . . 0.52 110.024 -168.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.71 58.91 0.85 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.595 -0.52 . . . . 2.02 109.595 -174.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.15 -32.31 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.704 1.372 . . . . 2.75 114.704 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.5 t0 78.64 127.05 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 127.628 2.371 . . . . 3.12 110.111 -166.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -149.19 32.06 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 C-N-CA 125.666 1.586 . . . . 0.5 108.12 178.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 mtm-85 -60.49 -49.12 78.81 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 121.194 -0.941 . . . . 2.75 111.949 -166.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.05 -31.78 63.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 123.896 0.748 . . . . 0.36 110.702 174.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -77.57 -45.0 26.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.445 -0.784 . . . . 2.64 109.53 -173.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.743 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 24.6 t -65.33 -46.75 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 109.159 -0.682 . . . . 0.63 109.159 175.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.573 ' HA ' HD21 ' A' ' 67' ' ' LEU . 2.0 tm-20 -50.55 -55.05 17.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.184 -0.912 . . . . 3.24 110.354 175.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.1 t -49.86 -48.14 51.42 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.579 0.627 . . . . 0.57 110.392 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.23 -49.17 78.88 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.471 0.545 . . . . 0.29 112.471 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.448 HD12 HG12 ' A' ' 56' ' ' VAL . 19.5 mt -65.03 -42.51 94.29 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.593 -0.692 . . . . 1.03 110.121 -177.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -52.25 66.1 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.99 -0.744 . . . . 2.16 108.99 175.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -56.19 -41.99 76.4 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.667 0.27 . . . . 3.84 111.077 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.53 -17.52 62.88 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 125.117 1.367 . . . . 0.94 112.941 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.79 46.79 1.01 Allowed Glycine 0 C--N 1.339 0.715 0 C-N-CA 125.056 1.313 . . . . 0.51 112.342 166.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -134.05 155.91 49.17 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.021 0.91 . . . . 1.95 110.137 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.1 m -104.05 118.81 37.56 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.574 -1.639 . . . . 1.63 106.574 168.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.573 HD21 ' HA ' ' A' ' 57' ' ' GLU . 3.9 pp -113.83 174.23 6.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.246 1.018 . . . . 0.88 109.367 171.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -133.65 137.47 45.39 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 105.282 -2.118 . . . . 3.36 105.282 166.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -68.84 120.69 15.16 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 107.908 -1.145 . . . . 3.26 107.908 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.01 178.67 5.68 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.015 -1.448 . . . . 2.81 109.649 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -56.47 162.56 2.11 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.613 0.72 . . . . 3.75 110.423 164.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.51 -63.44 1.13 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.39 -0.967 . . . . 1.73 108.39 168.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.56 -51.92 0.11 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 124.635 1.174 . . . . 2.23 109.405 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--O 1.26 1.65 0 N-CA-C 102.323 -3.214 . . . . 7.65 102.323 167.603 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 107.554 -1.276 . . . . 5.11 107.554 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.44 129.83 3.79 Favored Glycine 0 C--N 1.333 0.389 0 N-CA-C 109.441 -1.464 . . . . 1.62 109.441 -175.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 m -141.26 145.2 35.24 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 121.19 -1.182 . . . . 0.95 108.971 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.436 ' HG3' HG13 ' A' ' 45' ' ' VAL . 13.8 ttm180 -96.64 113.62 25.2 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 125.041 1.463 . . . . 3.56 107.916 -174.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.707 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 18.2 m-85 -100.23 124.04 45.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 118.594 -0.717 . . . . 1.86 112.544 171.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.401 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 0.8 OUTLIER -99.43 145.52 27.32 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 124.227 0.955 . . . . 1.9 109.392 177.363 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.894 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.2 m-90 -131.25 157.33 43.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.656 0.662 . . . . 1.11 110.213 163.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -103.49 101.03 10.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.273 -1.751 . . . . 3.35 106.273 171.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG12 ' HB3' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -96.02 -179.64 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 119.335 0.97 . . . . 1.3 109.072 -174.321 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 p -157.2 118.84 3.73 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.94 -0.475 . . . . 2.91 110.303 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.89 -22.91 5.08 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.344 1.449 . . . . 0.72 112.05 168.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.37 87.37 7.21 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 117.491 0.645 . . . . 1.88 109.479 -177.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -140.66 80.58 1.76 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.9 0.381 . . . . 2.94 110.033 168.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.97 -88.34 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.577 0.751 . . . . 2.34 109.95 174.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.96 -60.2 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.43 1.092 . . . . 2.1 109.556 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.85 -32.78 61.02 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.917 -0.489 . . . . 0.86 111.252 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.7 m -74.38 -33.82 63.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.317 -0.623 . . . . 1.87 109.317 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.749 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -59.34 -45.74 90.54 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.685 -0.857 . . . . 0.56 108.685 173.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -59.95 -52.05 67.08 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 118.884 -1.127 . . . . 2.57 111.106 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -42.95 61.12 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.444 -0.902 . . . . 2.96 111.392 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.794 ' CG1' HD21 ' A' ' 44' ' ' LEU . 37.4 t -56.04 -62.85 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.31 0.644 . . . . 0.58 111.789 173.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.521 ' O ' HG22 ' A' ' 26' ' ' VAL . 23.5 pt-20 -59.3 -44.45 92.51 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 107.567 -1.271 . . . . 1.97 107.567 -170.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -64.88 -34.25 77.94 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.941 0.896 . . . . 0.48 110.682 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.33 -21.71 50.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.264 -0.874 . . . . 0.37 112.041 171.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.566 HG12 HG13 ' A' ' 56' ' ' VAL . 5.0 m -102.48 -39.97 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 119.297 0.953 . . . . 1.93 112.932 176.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.35 -25.35 65.78 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.365 -0.834 . . . . 2.66 110.926 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -69.82 -12.98 62.04 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.243 0.831 . . . . 0.5 113.243 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -119.08 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.538 1.135 . . . . 0.71 108.778 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.51 -46.32 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.177 0 O-C-N 121.244 -0.91 . . . . 0.32 108.879 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.42 -20.44 71.93 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 115.758 -0.656 . . . . 0.45 112.846 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.91 139.14 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.644 0.778 . . . . 0.49 109.156 173.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -130.5 -47.86 1.07 Allowed 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.84 -0.6 . . . . 2.8 112.005 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.87 104.81 8.03 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.03 0.832 . . . . 1.42 109.444 -173.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.45 138.22 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 121.408 -0.807 . . . . 1.54 110.931 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -122.46 93.87 4.11 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.824 2.449 . . . . 1.87 107.243 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.3 m -91.86 110.87 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.558 -1.645 . . . . 1.72 106.558 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 tp -120.16 112.57 19.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.467 -0.938 . . . . 0.64 108.467 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.749 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 24.6 m-85 -63.2 165.7 7.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.757 0.823 . . . . 2.31 111.388 168.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.17 -50.33 0.7 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.961 2.104 . . . . 1.28 111.832 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -64.63 -22.7 67.04 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.889 -0.782 . . . . 1.35 108.889 161.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 58.63 41.11 22.67 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.122 1.369 . . . . 4.6 108.779 174.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.23 135.82 51.16 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.571 0.7 . . . . 2.98 112.332 -167.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.794 HD21 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -101.56 119.56 38.95 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 126.984 2.113 . . . . 1.52 106.145 -176.146 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.436 HG13 ' HG3' ' A' ' 5' ' ' ARG . 18.9 t -122.1 102.39 11.73 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.562 0 O-C-N 124.055 0.847 . . . . 0.94 110.182 173.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.4 t -104.38 113.6 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.408 -0.96 . . . . 0.51 108.408 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -97.16 113.54 25.13 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 105.804 -1.925 . . . . 2.49 105.804 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -138.0 142.53 40.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.453 1.101 . . . . 0.5 110.01 -168.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.48 58.83 2.84 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.534 -0.543 . . . . 1.97 109.534 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 166.49 158.76 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 128.07 2.548 . . . . 1.75 107.528 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -76.32 126.17 30.5 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 108.347 -0.983 . . . . 3.14 108.347 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.416 HD13 HG23 ' A' ' 56' ' ' VAL . 1.4 pp -139.54 21.98 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 123.276 0.631 . . . . 0.62 109.965 173.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -63.62 -48.43 77.35 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 120.767 -1.208 . . . . 3.06 111.933 -165.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.87 -34.18 62.7 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.749 0.656 . . . . 0.29 110.008 172.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -75.66 -39.52 57.5 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.36 -0.607 . . . . 2.75 109.36 -173.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.894 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 47.1 t -66.51 -54.62 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.075 0 N-CA-C 107.719 -1.215 . . . . 0.46 107.719 174.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -42.9 -56.55 3.22 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.605 0.762 . . . . 2.44 111.761 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.0 t -47.45 -43.6 24.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.072 0.463 . . . . 0.53 111.099 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.05 -48.93 72.05 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 122.849 0.46 . . . . 0.39 110.129 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -68.17 -39.67 82.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.913 0.485 . . . . 1.97 111.425 -175.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -50.13 68.56 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.423 -0.954 . . . . 2.35 108.423 173.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -67.57 -36.93 81.88 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.173 0.434 . . . . 4.51 112.173 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.08 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.956 0.902 . . . . 0.61 110.134 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.22 41.45 0.4 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 124.724 1.154 . . . . 0.76 111.781 168.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.495 ' HB3' HG12 ' A' ' 10' ' ' VAL . 9.2 m-85 -128.96 126.52 39.78 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 118.02 0.91 . . . . 2.2 109.558 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 m -83.65 117.75 23.39 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.713 -1.217 . . . . 1.47 107.713 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.41 ' HB3' HG13 ' A' ' 10' ' ' VAL . 4.0 pp -127.1 171.25 11.55 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.39 1.076 . . . . 0.79 109.862 173.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -139.09 125.84 20.81 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.82 -2.659 . . . . 4.31 103.82 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -41.89 109.65 0.14 Allowed 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.56 1.544 . . . . 3.53 110.465 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -102.36 158.59 16.09 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.857 0.837 . . . . 3.4 109.576 -174.583 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -53.41 153.69 3.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.22 1.01 . . . . 4.05 112.659 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.48 52.93 1.22 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.904 0.882 . . . . 2.2 110.535 175.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 70.58 147.21 0.07 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.569 1.948 . . . . 2.24 110.027 -161.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.253 1.277 0 CA-C-O 117.381 -1.295 . . . . 6.87 108.504 167.197 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 107.182 -1.414 . . . . 6.35 107.182 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -38.36 130.4 1.68 Allowed Glycine 0 C--N 1.335 0.508 0 C-N-CA 126.049 1.785 . . . . 2.23 113.375 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.0 m -139.78 153.77 47.22 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 106.989 -1.486 . . . . 1.85 106.989 164.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -101.2 114.29 28.12 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 113.676 -1.602 . . . . 3.57 108.126 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.77 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 9.9 m-85 -95.69 121.15 37.09 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 124.518 1.127 . . . . 2.18 110.58 176.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.3 m -98.5 152.45 19.53 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 123.79 0.681 . . . . 1.82 110.002 174.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.828 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -144.19 169.03 18.66 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.14 0.576 . . . . 1.22 111.175 159.877 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 126.05 51.74 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.243 1.817 . . . . 2.03 106.177 170.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.745 HG21 HD23 ' A' ' 44' ' ' LEU . 4.9 t -119.51 88.48 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 119.235 0.925 . . . . 2.29 110.599 -169.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 t -82.1 81.56 7.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.326 -0.99 . . . . 0.98 108.326 -163.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.85 -23.44 0.91 Allowed Glycine 0 CA--C 1.528 0.852 0 CA-C-N 115.159 -0.928 . . . . 0.87 111.665 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.9 ttp -73.25 76.73 1.32 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.386 1.093 . . . . 2.1 111.384 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -141.19 58.05 1.53 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.723 0.773 . . . . 3.04 111.422 171.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -146.0 141.32 27.58 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.595 -0.691 . . . . 2.63 109.464 168.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.45 69.28 0.15 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.949 1.7 . . . . 2.88 111.303 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 171.95 -43.96 0.01 OUTLIER 'General case' 0 C--O 1.236 0.363 0 C-N-CA 127.024 2.13 . . . . 1.01 108.959 -168.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.19 -48.53 56.77 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.681 -1.229 . . . . 1.77 107.681 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -50.53 -47.72 57.48 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.282 0.364 . . . . 0.74 111.032 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 52.3 mtt-85 -59.99 -48.06 83.27 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 120.366 -0.534 . . . . 3.31 110.245 175.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -46.11 63.68 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.184 -0.948 . . . . 4.05 110.1 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.044 HG11 HD21 ' A' ' 44' ' ' LEU . 90.2 t -58.96 -61.87 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 122.586 0.354 . . . . 0.94 111.011 174.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.0 pt-20 -59.35 -44.75 92.63 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 106.516 -1.661 . . . . 2.2 106.516 -166.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -65.8 -39.24 90.74 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 121.239 -0.913 . . . . 1.17 110.204 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.6 -19.37 48.46 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.962 0.727 . . . . 0.84 112.962 169.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 22' ' ' VAL . 63.2 t -88.25 -47.57 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 124.095 0.958 . . . . 1.56 109.439 171.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.6 mtm105 -64.17 -29.98 71.07 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 120.067 -1.646 . . . . 3.31 111.276 -173.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.411 ' HG3' HD23 ' A' ' 29' ' ' LEU . 11.9 pt20 -60.23 -16.83 37.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 117.989 -1.005 . . . . 0.7 113.477 178.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.411 HD23 ' HG3' ' A' ' 28' ' ' GLN . 2.0 mt -63.88 -104.97 0.0 OUTLIER 'General case' 0 C--N 1.344 0.344 0 CA-C-N 119.086 0.857 . . . . 0.51 110.769 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 175.49 -50.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.554 1.141 . . . . 0.34 109.146 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.15 -13.32 81.13 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 115.532 -0.758 . . . . 0.49 112.606 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.8 t -58.52 144.24 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 123.62 0.768 . . . . 0.61 109.087 168.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -120.2 -47.84 2.35 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 119.169 -0.444 . . . . 2.84 109.961 164.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -130.63 159.3 37.6 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.567 0.699 . . . . 1.42 109.451 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -156.33 137.74 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 107.303 -1.369 . . . . 1.37 107.303 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -136.54 98.54 3.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.564 -1.273 . . . . 1.75 107.564 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.4 m -93.92 131.52 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 C-N-CA 126.709 2.004 . . . . 1.68 105.664 175.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -132.51 116.14 16.37 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.928 -0.767 . . . . 0.41 108.928 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 56.7 m-85 -63.57 161.18 15.13 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 124.436 1.094 . . . . 2.9 111.838 172.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.08 -38.43 0.42 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 129.326 3.05 . . . . 1.3 111.095 175.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.1 m -75.82 -17.88 59.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.989 1.316 . . . . 1.1 109.901 164.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 45.92 43.56 10.39 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.228 1.411 . . . . 3.81 110.76 -171.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.02 129.65 45.31 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.411 -0.959 . . . . 1.25 108.411 -175.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.044 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -98.33 128.5 44.78 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 105.074 -2.195 . . . . 1.5 105.074 160.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 t -127.76 126.8 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 O-C-N 124.24 0.963 . . . . 0.64 109.402 155.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.8 t -115.55 133.2 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 124.855 1.262 . . . . 0.44 110.045 171.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -114.29 106.75 14.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.096 1.758 . . . . 2.94 106.374 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -138.96 121.48 16.18 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.494 1.118 . . . . 1.01 110.703 -170.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.51 59.94 5.75 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 124.918 1.287 . . . . 2.01 110.125 -174.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -174.3 -35.74 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.269 1.428 . . . . 2.76 111.468 175.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.7 t0 80.0 136.59 0.06 Allowed 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 128.964 2.906 . . . . 3.73 111.618 -171.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.471 HD13 HG23 ' A' ' 56' ' ' VAL . 1.2 pp -156.73 26.3 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 128.333 2.653 . . . . 0.66 110.145 -169.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -54.83 -49.55 70.76 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 121.266 1.848 . . . . 3.12 112.631 -173.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.36 -31.12 68.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 123.406 0.441 . . . . 0.31 110.523 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -51.3 37.29 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.673 -0.492 . . . . 3.0 109.673 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.828 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 45.3 t -65.45 -48.28 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 108.158 -1.053 . . . . 0.47 108.158 -177.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -50.78 -60.83 2.65 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 117.177 -1.392 . . . . 2.79 110.814 174.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -48.54 -47.2 39.43 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 120.501 1.5 . . . . 0.56 110.855 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.52 -51.75 68.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.709 0.404 . . . . 0.41 111.744 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.896 HD21 HG13 ' A' ' 22' ' ' VAL . 77.7 mt -62.89 -46.58 87.17 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.218 1.007 . . . . 1.1 110.565 -177.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.45 -52.78 34.94 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.11 0.964 . . . . 3.45 108.689 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -63.8 -42.45 97.72 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 121.108 -0.237 . . . . 4.3 111.527 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -40.04 81.21 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 123.826 0.85 . . . . 0.52 110.685 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.98 57.7 0.15 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.677 -0.969 . . . . 0.92 110.677 172.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -128.88 177.6 6.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.0 0.92 . . . . 2.09 108.565 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 p -136.07 125.97 25.84 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.469 -1.308 . . . . 2.13 107.469 172.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.06 168.32 20.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.411 1.084 . . . . 1.64 110.133 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.27 121.27 16.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.254 -3.239 . . . . 5.17 102.254 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -61.52 100.45 0.14 Allowed 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 122.955 1.36 . . . . 2.73 111.965 -167.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -81.05 163.18 23.4 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 113.961 -1.472 . . . . 3.39 110.379 -166.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -59.25 149.72 27.78 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.214 -0.903 . . . . 5.44 110.615 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.97 69.25 2.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.135 0.974 . . . . 2.29 109.551 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 68.59 -59.39 0.46 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.614 1.966 . . . . 3.68 112.098 -172.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.25 1.083 0 C-N-CA 124.19 0.996 . . . . 6.94 109.126 -161.5 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 110.609 -0.145 . . . . 6.3 110.609 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.09 -120.84 3.25 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 109.639 -1.384 . . . . 1.64 109.639 177.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.402 ' HB ' ' CE1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -127.53 156.36 42.32 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 108.829 -0.804 . . . . 0.98 108.829 176.208 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.8 138.33 47.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.027 1.331 . . . . 3.68 109.017 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.484 ' HB2' ' CH2' ' A' ' 8' ' ' TRP . 9.9 m-85 -139.33 148.39 42.85 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 117.59 -1.195 . . . . 1.77 112.464 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -122.81 154.91 37.59 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.896 1.225 . . . . 2.65 113.506 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.821 ' CE3' HG11 ' A' ' 56' ' ' VAL . 10.2 m-90 -134.7 152.01 51.44 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 127.034 2.134 . . . . 3.01 108.389 170.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -103.95 82.92 2.04 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.092 1.357 . . . . 2.55 108.326 -171.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.39 90.65 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-O 121.835 0.826 . . . . 2.3 110.29 -155.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.54 95.44 9.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 106.712 -1.588 . . . . 0.92 106.712 -174.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.3 -27.22 0.88 Allowed Glycine 0 CA--C 1.526 0.739 0 CA-C-N 114.409 -1.269 . . . . 1.08 110.031 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 22' ' ' VAL . 27.4 ttp -69.88 85.82 0.51 Allowed 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 122.124 -0.633 . . . . 1.99 110.016 173.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.45 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 60.7 t0 -130.56 77.73 1.8 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.975 0.51 . . . . 3.4 110.432 167.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.64 140.6 0.1 Allowed 'General case' 0 C--N 1.34 0.155 0 C-N-CA 125.123 1.369 . . . . 2.75 108.382 171.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.74 94.45 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.409 1.004 . . . . 2.06 112.028 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.92 -32.2 71.7 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.746 -0.596 . . . . 0.98 111.28 174.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.3 m -83.12 -32.42 26.71 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.392 1.077 . . . . 2.31 109.094 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.66 -43.43 72.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.877 -0.515 . . . . 0.57 109.847 168.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.452 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 16.1 mtt85 -55.74 -45.49 78.02 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 121.061 -1.024 . . . . 3.51 111.818 172.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -35.4 22.22 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.571 -1.331 . . . . 3.69 112.369 175.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 13' ' ' MET . 94.4 t -67.01 -55.41 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 119.592 1.087 . . . . 0.64 112.101 175.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.6 pt-20 -61.09 -41.81 97.34 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 106.977 -1.49 . . . . 1.99 106.977 -176.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 12.4 m-80 -67.62 -35.54 79.12 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.601 -1.312 . . . . 0.52 109.515 -175.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.96 -30.11 58.27 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-O 118.312 -0.851 . . . . 0.66 112.42 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.533 HG12 ' CG2' ' A' ' 56' ' ' VAL . 16.1 m -93.2 -38.89 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 119.648 1.113 . . . . 2.08 112.457 174.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -61.21 -31.07 70.84 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.201 -0.937 . . . . 2.64 109.764 -174.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -67.68 -14.03 62.6 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.998 1.11 . . . . 0.61 113.998 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.15 -113.66 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.284 0.947 . . . . 0.47 109.435 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.99 -48.46 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 124.701 1.201 . . . . 0.39 108.55 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.78 -5.33 86.54 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 115.859 -0.609 . . . . 0.46 113.588 -172.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.446 HG21 ' HB ' ' A' ' 26' ' ' VAL . 44.4 t -67.21 132.19 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.858 0.863 . . . . 0.56 108.697 173.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -99.14 -53.71 3.17 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.237 -1.023 . . . . 1.95 108.237 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -154.05 141.65 19.87 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.088 -1.449 . . . . 1.51 107.088 -168.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -131.99 135.16 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.364 1.466 . . . . 1.67 108.025 -172.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.428 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 6.4 mt-30 -114.99 86.79 2.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.898 1.279 . . . . 1.95 107.799 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.4 93.19 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 125.133 1.373 . . . . 1.94 107.634 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.19 74.41 3.4 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 105.744 -1.947 . . . . 0.61 105.744 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 3.8 t80 -63.56 85.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 114.297 -1.32 . . . . 3.36 108.294 169.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.14 -41.6 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 129.294 3.038 . . . . 2.32 107.65 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -110.28 23.31 14.45 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.659 0.784 . . . . 1.16 112.081 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 40.02 45.67 1.66 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.783 1.633 . . . . 4.56 110.731 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.91 133.08 37.3 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 103.138 -2.912 . . . . 1.68 103.138 -169.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 44' ' ' LEU . 1.2 mt -96.28 144.44 26.46 Favored 'General case' 0 N--CA 1.414 -2.236 0 O-C-N 125.103 1.502 . . . . 1.42 108.392 156.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 2.2 t -122.84 146.77 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 108.37 -0.974 . . . . 0.83 108.37 148.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -135.47 107.0 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 127.59 2.356 . . . . 1.06 105.425 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.8 108.14 20.36 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.026 -1.101 . . . . 2.27 108.026 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.73 150.64 43.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.212 1.005 . . . . 0.59 111.036 -167.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.38 59.26 1.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.008 1.323 . . . . 2.01 108.814 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 p30 159.41 166.85 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.309 2.243 . . . . 1.78 109.859 177.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -91.8 81.87 5.21 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.563 2.345 . . . . 4.57 110.913 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -106.77 16.8 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.185 0.994 . . . . 0.66 112.437 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HD2' ' CD1' ' A' ' 6' ' ' TYR . 5.4 mtp-105 -70.34 -44.4 68.25 Favored 'General case' 0 CA--C 1.507 -0.675 0 O-C-N 120.629 -1.294 . . . . 3.13 111.037 -160.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.32 67.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.745 -0.465 . . . . 0.37 109.745 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -41.08 73.79 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 120.95 -1.094 . . . . 2.52 108.231 174.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.821 HG11 ' CE3' ' A' ' 8' ' ' TRP . 1.2 t -57.5 -56.2 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 108.786 -0.82 . . . . 1.65 108.786 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -48.85 80.04 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.803 -1.184 . . . . 3.26 107.803 -167.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.7 t -51.32 -49.23 61.76 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.464 0.478 . . . . 0.74 110.248 176.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.74 -52.92 63.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.155 0.582 . . . . 0.38 112.144 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.566 HD12 HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -60.86 -44.35 97.15 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.502 0.667 . . . . 1.12 110.191 -178.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.06 -49.41 77.45 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.049 -0.723 . . . . 2.27 109.049 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.62 -43.75 97.14 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 123.244 0.34 . . . . 6.61 111.187 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.52 -40.44 65.45 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.786 0.834 . . . . 0.6 110.716 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.91 55.68 0.11 Allowed Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.718 -0.953 . . . . 0.49 110.718 167.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -131.12 168.65 17.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.325 0.65 . . . . 1.92 110.285 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.2 p -117.64 135.79 53.75 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 105.926 -1.879 . . . . 2.35 105.926 168.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.472 HD13 ' HD1' ' A' ' 8' ' ' TRP . 3.5 pp -141.15 165.42 27.57 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.441 -1.689 . . . . 1.28 106.441 176.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -135.63 126.78 28.07 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 104.413 -2.439 . . . . 4.43 104.413 165.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.79 107.7 0.08 Allowed 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.225 1.41 . . . . 3.18 111.964 177.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.9 171.78 8.56 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 107.203 -1.406 . . . . 2.3 107.203 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -65.24 157.41 28.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.217 1.008 . . . . 4.41 110.536 -167.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.04 54.21 2.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.387 -0.824 . . . . 2.73 110.306 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.05 161.22 2.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.843 1.257 . . . . 4.52 110.147 -177.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.014 1 C-N-CA 133.059 4.543 . . . . 10.49 102.956 171.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 108.672 -0.862 . . . . 4.34 108.672 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.35 -164.79 6.31 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.505 -1.038 . . . . 1.55 110.505 174.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.9 m -137.94 140.66 40.38 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 120.876 -1.367 . . . . 1.28 111.766 173.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' CG ' HG13 ' A' ' 45' ' ' VAL . 17.4 ttm180 -96.08 127.02 41.71 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 112.866 -1.97 . . . . 3.24 107.377 177.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.652 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 7.5 m-85 -105.41 123.55 48.06 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 127.422 2.289 . . . . 2.34 111.963 170.126 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 m -100.53 150.36 22.76 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 118.62 0.645 . . . . 1.93 109.57 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.881 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -136.56 161.34 36.16 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.497 1.519 . . . . 1.13 109.051 165.476 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -111.4 110.03 20.29 Favored 'General case' 0 C--N 1.338 0.078 0 N-CA-C 106.132 -1.803 . . . . 2.04 106.132 174.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.408 HG21 HD23 ' A' ' 44' ' ' LEU . 1.5 t -98.8 174.41 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.417 -0.957 . . . . 1.27 108.417 -177.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.8 111.04 4.88 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.251 -0.905 . . . . 0.89 108.894 169.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.94 -24.17 4.31 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.901 0.762 . . . . 1.02 112.599 172.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.2 tmm? -69.12 85.79 0.37 Allowed 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.82 -0.812 . . . . 2.12 109.718 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -147.52 65.35 1.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.05 0.453 . . . . 3.27 111.713 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 m -141.59 -91.71 0.14 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.015 0.526 . . . . 2.31 111.845 172.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.33 -66.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.865 0.866 . . . . 2.2 109.026 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.51 62.56 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.841 0.456 . . . . 0.96 110.893 176.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -69.17 -40.2 78.27 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.902 -0.777 . . . . 2.96 108.902 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -61.03 -41.49 96.66 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 118.073 0.397 . . . . 0.61 110.17 176.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -61.41 -53.38 57.37 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 118.443 -1.303 . . . . 2.59 110.817 172.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -48.86 -39.48 25.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 121.07 -1.018 . . . . 3.88 111.777 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.962 HG11 HD21 ' A' ' 44' ' ' LEU . 55.0 t -58.61 -63.11 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 118.597 0.635 . . . . 0.49 112.51 170.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.586 ' O ' HG22 ' A' ' 26' ' ' VAL . 12.1 pt-20 -59.02 -41.15 87.04 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 107.376 -1.342 . . . . 1.77 107.376 -170.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -66.07 -32.91 74.66 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.403 1.081 . . . . 0.61 110.944 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.61 -21.4 26.65 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 118.42 -0.8 . . . . 0.47 111.865 168.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.611 HG12 HG13 ' A' ' 56' ' ' VAL . 3.9 m -103.82 -42.26 7.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.259 0 CA-C-N 118.983 0.81 . . . . 1.93 113.021 177.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -60.83 -24.98 66.29 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.261 -0.899 . . . . 2.63 110.94 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -69.34 -14.21 62.8 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 118.663 -0.684 . . . . 0.5 112.687 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -112.49 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.094 0.958 . . . . 0.7 109.481 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.09 -47.76 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 125.007 1.323 . . . . 0.43 108.647 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.84 -20.37 65.72 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.739 -0.664 . . . . 0.49 113.399 -172.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.86 134.15 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 123.532 0.733 . . . . 0.46 109.259 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -103.16 -57.71 2.0 Allowed 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 107.492 -1.299 . . . . 2.16 107.492 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -132.61 161.59 33.48 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 106.732 -1.581 . . . . 1.35 106.732 -172.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -156.85 141.6 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 107.625 -1.25 . . . . 1.45 107.625 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -135.78 104.03 5.61 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 107.759 -1.2 . . . . 1.71 107.759 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.37 123.2 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 127.193 2.197 . . . . 1.59 105.611 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.9 tp -118.73 116.91 27.54 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.025 -0.732 . . . . 0.58 109.025 -175.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 22.4 m-85 -64.81 165.27 10.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.029 0.932 . . . . 2.76 112.09 171.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.23 -49.22 0.64 Allowed 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 126.548 1.939 . . . . 1.3 111.755 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -84.89 9.15 15.13 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.3 1.44 . . . . 0.96 112.047 177.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 32.72 42.28 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.382 2.273 . . . . 4.52 114.159 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.66 132.7 50.59 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.384 -0.598 . . . . 1.31 109.384 -169.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.962 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -103.83 122.78 45.85 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 106.132 -1.803 . . . . 1.59 106.132 168.664 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.413 HG13 ' CG ' ' A' ' 5' ' ' ARG . 14.4 t -125.95 119.69 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 124.153 0.908 . . . . 0.71 109.228 163.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.9 t -116.61 131.31 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 124.556 1.142 . . . . 0.49 109.413 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.14 99.59 7.34 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 125.456 1.503 . . . . 3.14 107.832 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.525 ' HB3' ' HE2' ' A' ' 6' ' ' TYR . . . -123.34 175.92 6.43 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.039 0.936 . . . . 1.03 110.401 -175.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.97 53.38 1.71 Allowed 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.272 1.029 . . . . 1.76 109.713 -175.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.469 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 13.4 p-10 -177.29 -41.92 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.501 -0.749 . . . . 2.86 112.926 -169.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.254 9.3 t0 81.59 121.46 0.05 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 127.856 2.462 . . . . 3.36 110.795 -172.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.464 HD13 HG23 ' A' ' 56' ' ' VAL . 1.5 pp -149.27 31.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 C-N-CA 125.58 1.552 . . . . 0.58 107.247 -175.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.0 mtm-85 -61.96 -47.75 83.44 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 121.36 -0.837 . . . . 2.61 111.288 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.99 59.49 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.543 0.527 . . . . 0.29 110.868 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -76.27 -44.14 38.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.083 -0.71 . . . . 2.63 109.083 -175.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.881 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 52.4 t -65.15 -48.19 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 107.993 -1.114 . . . . 0.39 107.993 178.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -47.1 -60.22 2.61 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.102 -0.952 . . . . 2.3 111.02 171.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 t -47.94 -45.76 31.42 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.276 0.944 . . . . 0.56 110.355 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 -54.49 44.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.279 0.474 . . . . 0.41 112.279 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.646 HD12 HG12 ' A' ' 56' ' ' VAL . 7.3 mt -60.03 -45.2 93.59 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.786 0.835 . . . . 1.03 111.154 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.24 -51.41 68.22 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.848 -0.797 . . . . 2.32 108.848 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -66.82 -37.38 84.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.996 -0.282 . . . . 3.98 111.512 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.03 79.6 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 124.06 0.944 . . . . 0.68 110.37 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.4 43.39 0.29 Allowed Glycine 0 C--N 1.336 0.534 0 C-N-CA 124.08 0.848 . . . . 0.54 111.547 167.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -130.93 125.67 34.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.732 -0.84 . . . . 1.91 108.732 175.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -80.56 119.47 23.26 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 106.349 -1.722 . . . . 1.5 106.349 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.476 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.8 pp -119.38 -179.16 3.78 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.447 0.699 . . . . 0.79 109.456 170.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -134.79 140.45 45.9 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 104.129 -2.545 . . . . 5.33 104.129 165.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.96 128.68 38.1 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.204 -1.776 . . . . 3.42 106.204 168.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.56 176.5 5.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 124.435 1.084 . . . . 2.71 109.787 168.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 172.4 4.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.523 0.678 . . . . 3.43 109.969 170.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.68 -68.68 0.34 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.633 -0.877 . . . . 1.86 108.633 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.55 -60.28 0.1 Allowed 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 107.507 -1.294 . . . . 2.56 107.507 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 C--O 1.261 1.68 0 N-CA-C 104.06 -2.57 . . . . 7.32 104.06 149.665 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.564 0.221 . . . . 6.38 111.352 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.49 -120.35 1.22 Allowed Glycine 0 CA--C 1.524 0.632 0 C-N-CA 125.356 1.455 . . . . 1.51 110.715 -176.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.3 m -141.72 139.64 32.94 Favored 'General case' 0 CA--C 1.516 -0.335 0 O-C-N 121.127 -1.219 . . . . 0.89 110.613 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -96.34 119.23 34.45 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 124.744 1.277 . . . . 3.17 108.967 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.817 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 22.0 m-85 -107.31 132.02 53.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 117.614 -1.184 . . . . 2.22 113.298 170.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.0 t -109.18 151.37 26.56 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 124.556 1.142 . . . . 2.05 110.697 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.896 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.3 m-90 -143.93 169.57 17.55 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.292 1.437 . . . . 1.11 112.093 169.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -117.61 96.94 5.61 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.999 1.719 . . . . 1.87 108.26 -173.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.08 114.96 38.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 123.314 0.646 . . . . 1.45 109.698 -166.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -114.37 77.53 1.07 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.304 -0.628 . . . . 1.09 109.304 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.3 -35.74 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.377 -0.689 . . . . 1.0 111.377 -176.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -67.04 95.1 0.37 Allowed 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 122.144 -0.621 . . . . 2.28 110.411 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.513 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 31.8 t0 -140.93 85.35 1.98 Allowed 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 123.448 0.467 . . . . 3.75 110.037 170.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.64 140.78 0.06 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.16 1.384 . . . . 2.47 108.918 167.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 61.61 0.66 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.855 1.262 . . . . 2.73 110.946 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.57 -51.33 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 127.263 2.225 . . . . 1.13 107.495 -172.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 m -68.6 -30.37 69.09 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.692 -0.855 . . . . 2.41 108.692 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.09 -56.46 7.74 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.817 0.447 . . . . 0.75 110.927 166.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 17.5 mtt-85 -56.26 -42.86 78.08 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 121.706 -0.622 . . . . 3.86 110.734 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.53 -37.3 3.44 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.139 0.427 . . . . 2.86 111.458 178.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.152 HG11 HD21 ' A' ' 44' ' ' LEU . 39.8 t -66.51 -57.87 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 118.589 0.631 . . . . 0.83 112.158 175.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 8.8 pt-20 -56.63 -40.53 75.55 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 106.888 -1.523 . . . . 2.01 106.888 -174.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -69.44 -36.63 76.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.388 -0.82 . . . . 0.53 110.658 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.31 -21.46 35.13 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.398 1.079 . . . . 0.47 112.238 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.7 m -107.14 -36.54 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 119.07 0.85 . . . . 1.92 113.05 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -57.25 -27.46 62.09 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.046 0.938 . . . . 2.39 109.972 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -72.56 -14.74 61.7 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.615 0.969 . . . . 0.59 113.615 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -111.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.928 0.891 . . . . 0.62 110.251 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.15 -52.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.752 1.221 . . . . 0.37 108.207 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.69 -24.13 70.82 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-N 115.339 -0.846 . . . . 0.62 112.591 -173.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -55.41 121.78 3.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 124.537 1.135 . . . . 0.71 110.051 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -98.05 -52.78 3.58 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.694 -0.854 . . . . 2.08 108.694 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -152.31 117.52 5.23 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.549 -0.908 . . . . 1.67 108.549 -167.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -112.65 135.93 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.327 1.451 . . . . 1.48 108.257 -177.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -118.7 109.01 15.6 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.713 -1.218 . . . . 2.68 107.713 170.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 m -94.57 103.97 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 106.696 -1.594 . . . . 1.55 106.696 171.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.6 tp -98.12 80.9 2.74 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 105.419 -2.067 . . . . 0.49 105.419 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.513 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.6 t80 -62.99 82.78 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 113.949 -1.478 . . . . 3.36 108.276 172.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.0 -42.37 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 127.37 2.268 . . . . 1.85 109.448 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -106.87 31.79 5.05 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.919 0.888 . . . . 1.25 110.154 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 37.71 28.68 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.068 2.547 . . . . 5.37 114.195 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.5 129.39 55.56 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.165 -1.42 . . . . 1.33 107.165 -164.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 1.152 HD21 HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -106.3 125.16 50.66 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 116.574 -1.679 . . . . 1.3 106.865 165.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.6 t -127.13 136.48 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 O-C-N 124.299 0.999 . . . . 0.67 111.267 165.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.2 t -133.61 113.67 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 106.6 -1.63 . . . . 0.53 106.6 -176.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.69 112.67 24.46 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.821 -1.548 . . . . 2.58 106.821 174.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.07 143.26 44.54 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.692 1.197 . . . . 0.59 111.54 -168.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -83.92 58.96 4.97 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.322 1.049 . . . . 2.51 109.71 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.02 158.49 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.063 2.145 . . . . 1.76 108.639 173.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.18 122.1 23.84 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.333 -0.547 . . . . 3.21 109.754 169.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.495 HD13 HG23 ' A' ' 56' ' ' VAL . 2.2 pp -143.42 31.77 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.622 -0.881 . . . . 0.53 108.622 177.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 38.9 mtm-85 -64.74 -49.11 72.08 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 121.479 -0.763 . . . . 2.87 110.256 -171.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.07 -30.59 62.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 123.698 0.623 . . . . 0.29 110.41 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -50.76 26.66 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.63 -0.508 . . . . 3.2 109.63 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.896 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 65.4 t -61.8 -49.09 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 107.797 -1.186 . . . . 0.43 107.797 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -50.16 -57.26 8.12 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 117.618 -1.182 . . . . 2.74 110.935 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -52.75 -44.24 66.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.531 1.514 . . . . 0.69 110.706 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.12 -50.08 74.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.642 0.377 . . . . 0.26 111.395 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.742 HD21 HG13 ' A' ' 22' ' ' VAL . 80.0 mt -65.37 -41.61 93.6 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.687 0.795 . . . . 1.06 110.844 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -51.04 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.621 0.768 . . . . 2.43 109.191 174.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -60.79 -47.32 86.87 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.494 0.183 . . . . 6.37 111.494 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.2 67.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.819 0.847 . . . . 0.51 111.058 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.46 50.81 0.17 Allowed Glycine 0 CA--C 1.523 0.576 0 C-N-CA 124.468 1.033 . . . . 0.72 111.274 169.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -131.11 148.17 52.7 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 117.514 0.657 . . . . 2.1 110.848 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 p -104.21 132.09 50.82 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.239 1.415 . . . . 2.32 107.742 173.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -155.96 165.34 36.75 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.25 2.22 . . . . 1.48 107.255 179.814 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -142.07 72.03 1.37 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 118.138 -0.934 . . . . 3.88 109.663 -169.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t0 9.91 74.21 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.253 2.221 . . . . 3.19 114.399 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -77.25 156.72 31.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.97 0.891 . . . . 3.05 109.178 -170.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -57.16 152.44 13.59 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.379 -0.828 . . . . 5.73 111.042 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.24 -59.92 4.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.117 0.967 . . . . 2.23 111.323 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.33 70.06 0.02 OUTLIER 'General case' 0 C--O 1.231 0.101 0 N-CA-C 106.044 -1.835 . . . . 2.46 106.044 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.258 1.539 0 CA-C-O 116.632 -1.651 . . . . 5.73 108.227 -154.254 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 109.981 -0.377 . . . . 4.82 109.981 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 126.63 176.14 14.38 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 124.28 0.943 . . . . 1.23 112.352 168.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 m -143.31 137.64 28.95 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 122.203 -0.587 . . . . 0.89 110.936 177.362 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -99.24 118.28 35.59 Favored 'General case' 0 N--CA 1.439 -1.008 0 O-C-N 124.783 1.302 . . . . 3.28 108.969 177.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.642 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 16.5 m-85 -97.75 148.7 23.1 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 124.47 1.108 . . . . 2.01 112.728 166.801 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.473 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 20.0 m -125.64 150.46 47.56 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.098 0.959 . . . . 2.04 110.232 174.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.802 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -136.91 169.89 17.01 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.468 1.507 . . . . 1.06 108.128 170.727 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.28 126.83 53.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 104.35 -2.463 . . . . 1.94 104.35 170.145 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.1 t -120.75 147.74 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 120.271 1.396 . . . . 1.05 107.366 -176.529 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.74 102.56 5.72 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.745 -1.576 . . . . 1.06 106.745 175.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.32 -25.64 0.88 Allowed Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.656 -0.525 . . . . 1.0 113.187 173.226 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.85 69.85 0.71 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.341 1.07 . . . . 1.96 112.731 179.366 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 5.6 m-20 -108.82 58.47 0.61 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.765 0.426 . . . . 4.66 111.591 -176.432 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -170.57 149.38 3.22 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.937 -0.477 . . . . 2.35 111.463 168.804 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 60.62 1.29 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.389 1.076 . . . . 2.69 111.548 178.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.36 -54.77 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 126.725 2.01 . . . . 1.3 107.056 -175.664 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.4 m -63.54 -34.5 77.93 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.335 -0.987 . . . . 2.35 108.335 170.579 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.34 -41.35 19.22 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.537 0.735 . . . . 1.02 111.922 167.711 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.62 -47.0 34.61 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 118.902 0.774 . . . . 2.68 109.13 175.712 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -49.38 -35.77 19.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.103 0.865 . . . . 3.46 112.325 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.9 t -54.07 -61.01 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 123.887 0.875 . . . . 0.57 110.744 170.023 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.76 -37.94 87.73 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 119.603 -0.839 . . . . 2.18 108.892 -175.331 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -65.74 -34.48 78.27 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 120.709 -1.244 . . . . 0.59 110.175 -177.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.5 -20.92 49.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.059 0.544 . . . . 0.38 112.462 170.104 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 56' ' ' VAL . 48.3 t -100.72 -44.89 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 125.832 1.653 . . . . 1.72 109.668 -177.66 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -61.94 -32.96 73.43 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 120.693 -1.254 . . . . 2.7 109.92 -175.126 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.05 -13.59 17.74 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.733 1.383 . . . . 0.68 114.733 175.468 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.81 -115.66 0.0 OUTLIER 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.659 1.118 . . . . 0.84 110.404 177.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.53 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.157 0.503 . . . . 0.34 109.831 -176.244 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -19.67 79.76 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 115.61 -0.723 . . . . 0.38 112.309 -176.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.92 142.67 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.694 1.198 . . . . 0.48 109.557 172.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -127.58 -43.54 1.57 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 119.069 -0.491 . . . . 2.89 111.063 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -134.12 150.13 51.12 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.432 -0.951 . . . . 1.32 108.432 -177.004 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.4 t -142.72 143.0 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 124.051 0.94 . . . . 2.48 108.507 -175.593 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.408 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 21.9 mt-30 -134.69 89.9 2.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.787 1.635 . . . . 1.69 108.961 -175.732 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.404 HG22 HD21 ' A' ' 44' ' ' LEU . 6.1 t -91.69 100.45 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 125.903 1.681 . . . . 2.23 108.948 173.695 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -98.26 71.41 2.08 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 106.243 -1.762 . . . . 0.58 106.243 172.132 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -52.77 117.62 3.06 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 106.257 -1.757 . . . . 3.46 106.257 160.64 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 127.04 -33.27 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 128.974 2.91 . . . . 1.59 110.106 -171.272 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m -117.49 5.06 12.44 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.445 0.698 . . . . 1.01 110.372 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 49.49 37.82 13.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.66 1.584 . . . . 3.68 113.515 169.597 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.01 125.93 36.52 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 105.284 -2.117 . . . . 1.37 105.284 -178.756 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -98.79 140.55 32.82 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 105.714 -1.958 . . . . 1.45 105.714 178.027 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.408 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 36.8 t -125.4 144.54 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 118.492 0.587 . . . . 0.7 110.686 163.661 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.6 t -139.97 117.89 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 107.313 -1.366 . . . . 0.38 107.313 -178.282 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -98.56 109.54 22.28 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.41 -1.7 . . . . 2.08 106.41 174.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.23 125.49 13.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.276 1.03 . . . . 0.92 109.347 -169.548 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -88.22 58.07 4.58 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.705 -0.479 . . . . 2.38 109.705 -168.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.5 p-10 175.23 175.71 0.21 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 127.071 2.148 . . . . 1.63 108.44 179.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -88.08 107.67 18.87 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.894 1.678 . . . . 4.89 110.336 175.763 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.85 19.25 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 O-C-N 121.491 -0.756 . . . . 0.61 112.655 175.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -63.22 -48.58 77.7 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.678 -1.264 . . . . 3.48 110.65 -170.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.95 -32.98 64.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 123.972 0.795 . . . . 0.28 110.76 172.495 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -75.59 -45.85 35.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.184 -0.673 . . . . 2.79 109.184 -175.024 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.802 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 42.4 t -65.82 -46.54 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 N-CA-C 109.142 -0.688 . . . . 0.43 109.142 178.416 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -48.97 -60.59 2.64 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 117.643 -1.17 . . . . 2.45 110.66 170.411 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -46.73 -47.84 20.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.768 1.167 . . . . 0.55 110.72 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.12 81.97 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.604 0.762 . . . . 0.3 112.498 178.454 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.455 HD12 HG12 ' A' ' 56' ' ' VAL . 22.2 mt -69.49 -44.84 70.28 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.8 0.84 . . . . 1.01 110.048 -177.609 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -55.55 26.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.94 -0.763 . . . . 2.27 108.94 175.579 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -19.7 62.22 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.987 -0.445 . . . . 5.31 112.039 -178.376 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.73 -19.7 65.81 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.228 -0.92 . . . . 0.47 111.768 167.723 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.03 51.29 1.01 Allowed Glycine 0 C--N 1.338 0.64 0 N-CA-C 110.735 -0.946 . . . . 0.57 110.735 175.152 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -132.7 176.68 8.25 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.829 0.852 . . . . 1.95 108.884 171.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.7 m -126.32 137.81 53.52 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.174 -1.417 . . . . 1.68 107.174 166.362 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.511 HD12 ' C ' ' A' ' 67' ' ' LEU . 2.9 pp -144.34 176.17 9.56 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.505 1.122 . . . . 0.77 108.492 173.051 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.73 151.82 51.89 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.129 -1.804 . . . . 4.41 106.129 162.426 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -81.64 90.77 6.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.147 0.979 . . . . 2.53 111.134 -168.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.61 157.82 33.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 120.917 -1.115 . . . . 2.6 113.565 -173.678 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -53.9 165.44 0.46 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 125.128 1.371 . . . . 5.79 112.581 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.12 58.47 5.06 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.298 1.039 . . . . 2.38 108.208 -167.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 75.66 -45.37 0.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.762 1.625 . . . . 3.57 110.883 -164.062 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.016 0 N-CA-C 103.647 -2.723 . . . . 5.86 103.647 166.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 110.685 -0.117 . . . . 5.98 110.685 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.83 121.05 2.15 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 109.836 -1.306 . . . . 1.76 109.836 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -121.37 159.67 25.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.503 0.721 . . . . 1.03 109.081 173.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 ttm105 -114.19 135.54 53.93 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.8 1.24 . . . . 3.53 108.24 170.567 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.686 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.0 m-85 -118.27 142.9 47.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.33 1.452 . . . . 1.99 111.668 171.634 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.416 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 6.7 m -122.14 146.4 47.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.12 1.368 . . . . 2.13 110.064 -177.27 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.88 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.1 m-90 -137.47 158.67 43.9 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.96 0.904 . . . . 1.06 110.49 172.269 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 121.34 43.72 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 104.914 -2.254 . . . . 2.13 104.914 167.638 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -107.22 163.47 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 N-CA-C 107.525 -1.287 . . . . 1.07 107.525 175.789 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.18 101.16 3.58 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.665 -1.235 . . . . 0.92 107.665 173.543 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.96 -40.45 0.8 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.617 -0.593 . . . . 0.84 111.617 177.166 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 22' ' ' VAL . 15.1 ptt? -72.1 104.82 3.72 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 119.145 -0.455 . . . . 1.93 109.892 -177.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -155.51 66.09 0.62 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.654 0.661 . . . . 2.83 110.892 168.482 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 m -145.0 -94.81 0.1 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.076 0.551 . . . . 2.28 110.657 175.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.89 -59.01 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.445 1.098 . . . . 1.99 109.079 -175.749 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.13 -40.54 61.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.371 0.605 . . . . 0.94 110.872 173.009 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.5 m -70.1 -34.01 72.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.863 -0.792 . . . . 1.81 108.863 -178.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.747 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -58.7 -46.02 88.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.075 -0.713 . . . . 0.68 109.075 176.906 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 33.0 mtt180 -63.0 -52.6 62.34 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.36 -0.936 . . . . 3.31 109.73 176.649 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -47.49 -40.46 18.53 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.328 -0.858 . . . . 4.67 112.59 179.034 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' SD ' ' A' ' 13' ' ' MET . 68.3 t -62.18 -60.39 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 124.683 1.193 . . . . 0.62 110.918 174.058 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.5 pt-20 -58.85 -44.49 91.03 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.818 -1.179 . . . . 2.02 107.818 -173.745 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 8.7 m-80 -60.18 -40.4 89.84 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.421 1.089 . . . . 1.02 109.268 -177.598 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -22.35 30.47 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.044 0.757 . . . . 0.57 113.044 172.223 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -92.52 -45.93 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.484 1.114 . . . . 1.57 110.174 171.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -61.68 -29.39 70.05 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 120.265 -1.522 . . . . 3.43 110.679 -172.235 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -60.87 -13.36 15.13 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.756 1.021 . . . . 1.26 113.756 176.669 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.81 -123.07 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.482 1.037 . . . . 0.71 109.284 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.66 -49.03 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 123.738 0.815 . . . . 0.29 109.253 -177.05 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.49 -13.17 83.81 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 115.905 -0.589 . . . . 0.44 112.718 -177.863 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.0 t -53.54 137.56 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.513 0.725 . . . . 0.6 110.084 167.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.55 -48.99 3.65 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.24 -1.022 . . . . 2.14 108.24 173.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -160.72 154.41 22.36 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.903 -1.517 . . . . 1.25 106.903 -168.379 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.06 145.13 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 124.426 1.09 . . . . 2.08 108.95 -169.322 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.43 99.08 5.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.7 0.8 . . . . 3.72 110.6 173.297 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.416 HG22 HD21 ' A' ' 44' ' ' LEU . 9.9 t -93.43 116.98 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 126.46 1.904 . . . . 2.08 106.819 167.544 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.7 tp -128.44 115.69 18.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.768 -1.568 . . . . 0.69 106.768 174.736 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 40.8 m-85 -66.67 169.57 7.62 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.446 0.698 . . . . 2.35 111.371 174.438 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 78.32 -46.5 0.43 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 127.477 2.311 . . . . 1.19 109.637 174.394 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m -74.48 -16.22 60.86 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.783 -0.451 . . . . 0.98 109.783 166.141 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.84 42.95 16.79 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.921 1.289 . . . . 3.89 110.839 -178.753 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 130.74 53.05 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 106.843 -1.54 . . . . 1.29 106.843 -171.046 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.513 ' HA ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -101.24 138.92 37.62 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.132 -1.062 . . . . 1.17 108.132 178.366 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.1 t -126.37 147.13 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 O-C-N 124.264 0.977 . . . . 0.68 110.492 160.258 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.5 t -136.9 120.31 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 C-N-CA 125.159 1.384 . . . . 0.43 107.592 176.298 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.74 116.66 33.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.755 1.222 . . . . 2.36 107.843 176.21 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -146.66 151.15 36.78 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.304 1.442 . . . . 0.68 109.931 -167.438 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.94 52.46 0.82 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.128 0.966 . . . . 2.25 111.272 -174.492 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 167.87 165.34 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 104.942 -2.244 . . . . 2.53 104.942 -169.286 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -93.41 130.12 39.32 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 120.44 1.473 . . . . 3.3 109.708 170.262 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.402 HD13 HG23 ' A' ' 56' ' ' VAL . 1.7 pp -143.25 32.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 124.04 0.838 . . . . 0.48 109.581 173.552 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 mtm-85 -66.07 -48.26 71.56 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.975 -1.078 . . . . 2.78 110.366 -172.652 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.48 -35.14 52.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.841 0.713 . . . . 0.32 110.409 171.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -42.45 43.54 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.564 -0.532 . . . . 2.63 109.564 -174.699 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.88 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 54.7 t -63.98 -51.64 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 N-CA-C 107.863 -1.162 . . . . 0.41 107.863 176.576 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -44.72 -60.13 2.17 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 118.042 -0.98 . . . . 2.41 110.613 174.404 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.8 t -46.34 -47.89 18.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.853 0.751 . . . . 0.57 110.451 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.82 53.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 112.589 0.589 . . . . 0.33 112.589 178.024 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.577 HD12 HG12 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -57.24 -47.17 82.05 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 119.607 1.094 . . . . 1.18 111.837 177.553 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -49.92 71.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.128 -0.942 . . . . 2.23 108.943 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -63.86 -42.6 97.51 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.537 -0.301 . . . . 3.96 111.145 177.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.47 -36.74 74.19 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.23 1.012 . . . . 0.5 111.121 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.66 54.56 0.16 Allowed Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.279 0.942 . . . . 0.7 110.994 170.391 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.523 ' CD2' HD23 ' A' ' 60' ' ' LEU . 48.1 m-85 -138.19 146.02 42.18 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.508 0.723 . . . . 2.11 109.633 177.535 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 p -94.99 124.71 39.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.297 -1.372 . . . . 2.14 107.297 168.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 67' ' ' LEU . 3.6 pp -138.23 174.78 10.19 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 108.766 -0.827 . . . . 0.82 108.766 168.109 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.95 105.07 4.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 104.682 -2.34 . . . . 4.43 104.682 -177.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -28.62 98.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.205 1.802 . . . . 3.44 112.679 179.093 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -85.28 155.4 21.38 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.623 0.725 . . . . 2.41 109.161 -174.506 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.47 120.88 0.96 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.334 1.454 . . . . 3.75 110.429 168.65 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.38 -66.76 0.36 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.496 1.118 . . . . 1.87 111.592 -179.245 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.24 175.38 13.48 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.908 2.483 . . . . 2.95 105.759 175.787 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 . . . . . 0 C--O 1.25 1.081 0 N-CA-C 107.253 -1.388 . . . . 5.59 107.253 171.634 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 m . . . . . 0 C--O 1.233 0.193 0 N-CA-C 107.105 -1.443 . . . . 4.31 107.105 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.9 179.23 51.54 Favored Glycine 0 CA--C 1.523 0.567 0 O-C-N 124.027 0.829 . . . . 1.33 111.689 173.218 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.48 140.53 52.08 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.026 -0.731 . . . . 1.08 109.026 174.565 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -97.29 127.88 43.64 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.201 -1.363 . . . . 3.61 109.38 -176.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.82 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 18.4 m-85 -117.18 125.48 51.26 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.712 1.205 . . . . 1.95 113.423 176.235 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -97.27 143.01 28.46 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.915 1.686 . . . . 2.13 111.048 176.026 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.82 ' HZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -141.15 169.05 18.35 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.635 0.774 . . . . 1.14 111.239 159.462 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.66 105.67 13.89 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.423 2.289 . . . . 2.03 105.771 -177.088 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.445 HG21 HD23 ' A' ' 44' ' ' LEU . 5.4 t -100.84 129.13 52.21 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 120.243 1.383 . . . . 1.28 108.843 -170.335 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.16 96.24 5.24 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.808 -1.182 . . . . 0.94 107.808 -177.366 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.88 -35.74 0.62 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.841 -0.904 . . . . 0.76 110.841 175.275 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -71.6 128.15 34.89 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 118.941 -0.552 . . . . 1.91 110.583 177.842 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -175.59 83.61 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.373 1.869 . . . . 3.03 108.699 162.014 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.64 -88.27 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.693 -0.629 . . . . 2.22 110.764 172.584 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.36 -57.72 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.179 0.992 . . . . 2.2 109.262 -177.409 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.46 -33.72 45.71 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.247 0.619 . . . . 1.26 110.943 173.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.8 m -72.92 -40.13 65.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.587 -0.894 . . . . 1.72 108.587 -177.435 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.9 -44.11 97.58 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.608 -0.516 . . . . 0.63 109.608 176.148 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 28.1 mtt85 -59.37 -52.01 67.47 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 118.572 -1.251 . . . . 3.04 110.811 172.766 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -45.83 -47.2 15.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.334 0.97 . . . . 2.79 111.678 176.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.706 ' CG1' HD21 ' A' ' 44' ' ' LEU . 47.6 t -57.96 -61.77 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 118.372 0.533 . . . . 0.8 111.594 175.361 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 26' ' ' VAL . 10.9 pt-20 -60.8 -41.75 96.27 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 106.445 -1.687 . . . . 2.07 106.445 -167.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -66.03 -36.83 84.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.507 1.123 . . . . 0.83 110.292 -179.131 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.1 47.06 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.109 -0.948 . . . . 0.44 112.492 170.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 23' ' ' GLU . 22.2 m -102.45 -38.14 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 119.694 1.133 . . . . 2.1 112.449 174.588 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -59.29 -27.92 66.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.368 1.067 . . . . 2.91 110.086 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.89 -13.82 62.16 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.358 0.873 . . . . 0.49 113.358 178.104 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -119.76 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.708 0.685 . . . . 0.56 109.748 178.848 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.57 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.769 0.828 . . . . 0.39 108.993 -175.587 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.68 -26.37 65.31 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 112.009 -0.436 . . . . 0.81 112.009 -176.495 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.4 t -56.49 138.29 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 124.664 1.186 . . . . 0.53 109.84 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -140.64 -46.48 0.41 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 119.048 -0.501 . . . . 2.71 111.843 177.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -125.02 80.46 1.88 Allowed 'General case' 0 C--O 1.227 -0.108 0 CA-C-O 122.316 1.055 . . . . 1.84 109.278 -174.441 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.53 140.35 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.67 -0.695 . . . . 1.41 109.837 173.572 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -129.8 105.56 8.1 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.098 -1.075 . . . . 2.17 108.098 166.703 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.7 t -93.47 118.46 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 105.832 -1.914 . . . . 2.02 105.832 174.498 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.4 tp -127.33 111.3 13.74 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.264 -0.643 . . . . 0.62 109.264 -178.384 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 39.9 m-85 -62.63 165.25 6.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.112 -0.949 . . . . 2.32 111.562 172.322 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.02 -45.51 0.53 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 127.917 2.487 . . . . 1.14 110.717 172.59 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.8 p -73.93 -17.49 61.01 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.88 -0.513 . . . . 2.18 110.654 162.257 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 52.32 44.01 30.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.298 1.039 . . . . 4.15 111.172 -178.705 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.86 129.41 51.35 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.134 -1.061 . . . . 1.3 108.134 -175.694 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.706 HD21 ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -97.26 120.99 38.64 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 104.928 -2.249 . . . . 1.41 104.928 164.108 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 t -123.38 128.31 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 O-C-N 123.995 0.809 . . . . 0.66 110.874 157.166 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.411 HG21 HG11 ' A' ' 26' ' ' VAL . 76.7 t -120.25 118.94 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 124.76 1.224 . . . . 0.48 108.035 173.844 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -97.66 119.8 36.89 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.263 -1.014 . . . . 3.43 108.263 168.058 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.46 140.58 37.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.481 1.112 . . . . 0.6 110.043 -170.608 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.51 58.8 4.86 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 121.06 0.457 . . . . 2.07 109.924 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.0 p30 172.18 177.38 0.08 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 127.355 2.262 . . . . 1.71 108.072 176.177 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -87.23 127.03 35.17 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 108.29 -1.004 . . . . 3.15 108.29 162.138 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.404 HD13 ' CG2' ' A' ' 56' ' ' VAL . 1.5 pp -138.39 21.97 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.272 1.029 . . . . 0.78 110.449 168.272 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.92 -45.91 90.27 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.813 1.642 . . . . 3.21 111.381 -167.594 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.87 70.99 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 124.046 0.842 . . . . 0.27 109.921 175.227 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -72.27 -47.6 48.89 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 121.63 -0.668 . . . . 2.36 110.191 -178.472 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.765 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 53.7 t -65.41 -45.29 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 N-CA-C 107.578 -1.267 . . . . 0.41 107.578 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' CG ' HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -48.47 -58.17 5.05 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 118.798 -0.62 . . . . 3.08 110.834 174.566 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -53.69 -47.52 70.38 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.03 0.443 . . . . 0.64 110.049 -178.157 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.0 63.2 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.505 0.722 . . . . 0.43 112.24 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.94 -52.15 65.15 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.142 1.777 . . . . 2.11 109.447 177.802 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.32 -52.92 61.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.502 -0.925 . . . . 2.21 108.502 -178.424 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -58.5 -43.47 89.08 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.511 0.507 . . . . 3.69 111.165 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.77 -36.98 62.98 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.48 1.112 . . . . 0.71 110.599 -179.432 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.44 50.39 0.07 OUTLIER Glycine 0 C--N 1.335 0.525 0 N-CA-C 110.383 -1.087 . . . . 0.76 110.383 166.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -130.91 -173.91 3.22 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 122.434 1.111 . . . . 2.22 110.239 179.229 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.3 m -144.68 141.64 29.48 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 105.056 -2.202 . . . . 1.85 105.056 164.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.582 HD13 ' CD1' ' A' ' 8' ' ' TRP . 3.2 pp -146.85 165.41 29.82 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 126.811 2.045 . . . . 0.99 105.629 -177.616 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -133.1 122.9 24.77 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 102.132 -3.284 . . . . 3.78 102.132 177.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -49.48 109.76 0.31 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.285 1.434 . . . . 3.84 109.011 -178.528 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.76 -178.82 5.86 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.155 -1.795 . . . . 2.39 106.155 -178.795 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -58.68 171.84 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.712 0.768 . . . . 3.8 110.741 168.147 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.73 -64.64 0.82 Allowed 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.353 -0.842 . . . . 2.26 108.797 170.525 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.49 164.96 36.55 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 126.026 1.73 . . . . 2.07 107.245 176.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 . . . . . 0 C--O 1.253 1.282 0 CA-C-O 117.152 -1.404 . . . . 6.75 108.893 168.134 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 107.5 -1.296 . . . . 4.56 107.5 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.15 -147.5 9.24 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 110.552 -1.019 . . . . 1.19 110.552 -176.061 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.5 m -139.83 148.38 42.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 121.532 -0.981 . . . . 1.07 109.666 172.778 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -107.48 120.93 43.54 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-N 112.701 -2.045 . . . . 3.73 107.934 -171.479 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.674 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 31.6 m-85 -113.68 123.29 49.55 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 125.686 1.594 . . . . 1.86 112.512 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.0 t -100.68 149.87 23.33 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.481 1.512 . . . . 2.14 111.461 177.328 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.904 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.4 m-90 -141.19 157.18 45.61 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.683 1.593 . . . . 1.05 109.511 167.252 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.54 107.73 18.36 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.818 1.647 . . . . 1.95 107.648 175.552 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.59 121.41 51.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 119.164 0.893 . . . . 1.43 109.304 -169.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -107.28 99.66 9.18 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 106.599 -1.63 . . . . 0.92 106.599 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.3 -38.93 0.88 Allowed Glycine 0 C--N 1.335 0.52 0 N-CA-C 111.371 -0.692 . . . . 0.73 111.371 176.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.3 ptt? -69.88 110.59 5.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 120.272 -0.571 . . . . 1.94 110.676 -178.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -159.26 90.19 0.95 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.357 1.063 . . . . 2.83 108.456 166.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.36 -89.17 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.639 0.776 . . . . 2.28 110.09 169.012 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.35 -59.81 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 125.894 1.678 . . . . 2.26 107.232 -178.055 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.31 41.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.439 -0.801 . . . . 0.88 111.115 172.403 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 m -71.24 -41.15 70.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.018 -0.734 . . . . 1.73 109.018 -177.142 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.1 -45.45 92.9 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.363 -0.606 . . . . 0.64 109.363 176.316 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 92.9 mtt180 -59.69 -53.71 54.79 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.589 -0.844 . . . . 2.84 110.215 175.677 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -47.42 -44.2 24.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 121.311 -0.868 . . . . 3.67 111.217 178.406 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.07 -60.69 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 118.858 0.754 . . . . 0.63 111.71 173.071 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.2 pt-20 -62.75 -36.01 81.67 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.383 -0.969 . . . . 1.73 108.383 -170.305 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -70.03 -34.16 72.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.639 1.175 . . . . 0.49 110.339 178.608 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.617 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -59.98 -26.21 65.85 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.858 0.863 . . . . 0.44 111.813 166.935 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.547 HG22 HG13 ' A' ' 56' ' ' VAL . 78.6 t -89.87 -40.9 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 C-N-CA 124.718 1.207 . . . . 1.67 111.236 175.556 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -67.6 -34.41 76.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 119.698 -1.877 . . . . 2.54 109.28 -173.538 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.71 -13.01 19.23 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.818 1.414 . . . . 0.59 114.818 177.678 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.03 -107.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.807 1.185 . . . . 0.63 110.133 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.62 -50.55 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.598 1.159 . . . . 0.47 109.02 179.223 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.0 -5.0 90.45 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-N 115.467 -0.788 . . . . 0.52 113.282 -171.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.37 144.19 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.598 0.759 . . . . 0.46 109.162 173.313 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -116.72 -46.08 2.76 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.722 -0.474 . . . . 2.72 109.722 173.758 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.66 162.42 39.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.072 -1.084 . . . . 1.44 108.072 -179.012 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.13 135.82 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.402 -1.333 . . . . 1.43 107.402 -170.819 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' CG ' ' HB ' ' A' ' 45' ' ' VAL . 6.8 pt20 -123.14 104.64 9.31 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 122.562 1.173 . . . . 2.65 108.085 174.54 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.462 HG12 HD21 ' A' ' 44' ' ' LEU . 1.5 m -94.11 121.94 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 105.589 -2.004 . . . . 1.65 105.589 169.219 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.3 tp -128.95 113.14 14.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.917 -1.142 . . . . 0.5 107.917 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 45.6 m-85 -65.91 164.13 15.63 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 123.889 0.743 . . . . 2.28 111.215 173.382 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.66 -40.95 0.48 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 128.432 2.693 . . . . 1.22 111.178 176.068 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 m -73.89 -23.92 59.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 123.452 0.701 . . . . 1.08 109.336 162.021 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 50.98 41.09 26.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.426 1.091 . . . . 4.11 110.027 -175.017 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 126.9 51.47 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 103.693 -2.706 . . . . 1.45 103.693 -176.734 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD21 HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -97.94 135.55 39.5 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 124.714 1.259 . . . . 1.1 107.672 158.792 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.413 ' HB ' ' CG ' ' A' ' 36' ' ' GLN . 2.4 t -129.75 142.86 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 O-C-N 124.425 1.078 . . . . 0.83 110.277 154.058 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.05 131.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 C-N-CA 125.105 1.362 . . . . 0.44 107.665 171.368 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -110.45 108.51 18.55 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 125.998 1.719 . . . . 2.48 106.986 177.532 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.48 138.46 41.44 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.452 -0.944 . . . . 0.5 108.452 -171.616 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.45 57.38 1.4 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 108.479 -0.934 . . . . 2.02 108.479 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.05 -40.56 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.673 0.99 . . . . 2.91 113.673 173.752 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t0 96.61 125.1 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 129.712 3.205 . . . . 3.06 111.062 -173.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.523 HD13 HG23 ' A' ' 56' ' ' VAL . 1.7 pp -149.93 30.46 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 125.754 1.622 . . . . 0.61 109.664 -179.024 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -58.81 -55.46 34.76 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.359 -1.463 . . . . 3.37 112.831 -171.449 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.22 -28.61 42.3 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.475 -0.784 . . . . 0.28 109.557 175.341 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -79.19 -38.86 34.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.836 -0.802 . . . . 3.05 108.836 -174.564 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.904 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 66.4 t -68.06 -50.17 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 N-CA-C 108.026 -1.101 . . . . 0.42 108.026 177.47 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -47.69 -57.54 5.41 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 118.019 -0.991 . . . . 2.32 109.571 174.98 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 t -45.85 -42.87 12.95 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.761 0.709 . . . . 0.75 110.684 177.748 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.617 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -64.46 -46.17 84.26 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.964 0.906 . . . . 0.51 111.542 -178.795 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.47 HD13 HG12 ' A' ' 56' ' ' VAL . 4.1 mp -70.65 -38.08 73.79 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.049 0.539 . . . . 1.68 110.57 -179.363 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -50.4 73.82 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.928 0.891 . . . . 3.57 108.8 176.309 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -64.65 -37.81 88.85 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.947 0.794 . . . . 5.17 111.61 175.069 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.51 91.89 Favored 'General case' 0 C--N 1.34 0.157 0 O-C-N 121.977 -0.452 . . . . 0.48 111.174 -178.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.0 57.85 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 124.318 0.961 . . . . 0.65 110.943 173.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -129.41 176.18 8.17 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.728 0.811 . . . . 2.13 108.946 170.373 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.4 p -126.06 133.06 51.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.123 -1.436 . . . . 2.1 107.123 166.82 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 pp -143.51 171.08 14.64 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.853 1.661 . . . . 0.83 108.681 176.214 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -134.49 116.19 14.82 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 104.724 -2.324 . . . . 3.71 104.724 169.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -46.6 92.52 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 126.276 1.83 . . . . 2.77 113.928 -173.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.46 166.81 16.06 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.456 -1.402 . . . . 2.96 111.968 -170.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.46 156.09 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.908 -1.496 . . . . 3.99 111.859 161.893 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.66 -57.94 10.53 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.089 0.947 . . . . 1.92 109.336 174.613 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.81 -179.14 7.87 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.701 -1.592 . . . . 2.41 106.701 175.726 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.515 0 N-CA-C 104.266 -2.494 . . . . 6.73 104.266 161.565 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 106.981 -1.489 . . . . 4.79 106.981 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.82 -163.25 24.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.039 -1.224 . . . . 1.38 110.039 171.522 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 152.74 48.73 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.112 -1.07 . . . . 1.25 108.112 174.724 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -110.68 155.99 21.64 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 124.182 0.926 . . . . 6.05 110.019 170.236 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.631 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 28.4 m-85 -137.84 122.81 19.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 126.542 1.937 . . . . 2.11 106.909 -178.83 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -100.28 149.48 23.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.563 1.145 . . . . 1.86 108.051 175.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.806 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 2.7 m-90 -134.34 175.03 9.88 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.413 0.685 . . . . 1.08 109.424 166.615 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.75 113.98 15.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 105.962 -1.866 . . . . 6.14 105.962 167.202 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 t -97.32 165.5 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 108.371 -0.974 . . . . 1.03 108.371 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -128.89 117.64 21.35 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.246 -1.02 . . . . 1.11 108.246 167.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.73 -21.76 4.42 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.087 0.851 . . . . 0.86 112.486 172.212 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.4 ptm -67.43 100.6 0.86 Allowed 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.978 -0.719 . . . . 2.49 111.457 -178.743 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -160.5 68.04 0.35 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.274 0.629 . . . . 2.99 110.449 165.629 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.4 t -168.33 150.92 5.36 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.302 -0.874 . . . . 2.44 111.779 172.547 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 65.09 1.33 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.365 1.066 . . . . 3.15 112.268 -176.313 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.83 -48.91 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 127.05 2.14 . . . . 1.01 107.983 -176.622 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.94 -41.23 97.68 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.027 -1.101 . . . . 3.27 108.027 175.753 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -46.97 -54.48 10.05 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 123.595 0.559 . . . . 0.88 110.492 176.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -50.0 70.68 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 120.249 -0.581 . . . . 3.16 109.87 178.259 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -41.85 12.35 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.794 0.725 . . . . 2.82 111.807 179.115 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.73 -60.79 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 118.402 0.547 . . . . 0.62 111.732 174.412 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 26' ' ' VAL . 8.8 pt-20 -59.33 -43.18 92.76 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 107.434 -1.321 . . . . 2.2 107.434 -173.323 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.07 -36.82 85.26 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.1 0.96 . . . . 0.66 109.549 -176.112 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.31 -25.97 37.64 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 118.833 -0.603 . . . . 0.56 112.045 171.551 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 23' ' ' GLU . 2.4 m -97.56 -43.87 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 118.775 0.716 . . . . 2.18 112.875 176.772 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -61.53 -27.4 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.302 -0.874 . . . . 2.61 110.383 -175.225 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -66.45 -13.55 60.94 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.21 0.819 . . . . 0.56 113.21 176.76 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.503 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -69.95 -114.24 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.014 0.926 . . . . 0.58 109.342 -178.569 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.36 -46.89 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.365 1.066 . . . . 0.4 108.348 177.655 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.62 -19.28 79.69 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.404 -0.817 . . . . 0.44 113.265 -174.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.9 t -57.93 139.44 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.006 0.522 . . . . 0.51 111.142 176.035 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -104.83 -56.05 2.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.306 1.842 . . . . 2.08 106.848 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -150.76 177.44 10.09 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.888 0.875 . . . . 2.37 108.664 178.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.26 143.62 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 124.437 1.095 . . . . 1.52 109.335 -172.515 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -127.45 94.11 3.9 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.423 1.489 . . . . 2.22 109.48 171.893 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 t -88.74 105.86 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 106.401 -1.703 . . . . 2.1 106.401 168.556 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.2 tp -110.44 112.49 24.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.531 -0.914 . . . . 0.44 108.531 179.406 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 20.1 m-85 -64.1 167.03 6.92 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 123.604 0.762 . . . . 2.23 111.783 170.225 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.71 -33.11 0.26 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.614 1.966 . . . . 1.19 112.979 177.262 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -99.07 3.5 46.78 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.062 1.745 . . . . 0.96 110.833 169.714 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 35.64 37.77 0.04 OUTLIER 'General case' 0 C--O 1.237 0.446 0 C-N-CA 128.096 2.558 . . . . 4.5 113.982 -176.78 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.13 135.24 44.06 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 106.857 -1.534 . . . . 1.61 106.857 -172.31 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.5 141.12 36.54 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.236 -1.394 . . . . 2.04 107.236 161.203 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.88 143.46 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 O-C-N 123.952 0.783 . . . . 0.71 109.286 152.239 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.5 t -125.41 133.73 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 105.336 -2.098 . . . . 0.43 105.336 173.332 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -107.35 115.18 29.72 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 105.407 -2.071 . . . . 3.66 105.407 175.671 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.18 135.83 17.14 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.819 1.19 . . . . 0.64 111.893 -174.393 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.75 58.08 4.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.514 0.673 . . . . 1.99 109.687 -178.687 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.88 152.58 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 C-N-CA 127.321 2.248 . . . . 1.71 107.7 176.777 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -78.48 115.54 18.26 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 107.874 -1.158 . . . . 3.15 107.874 174.162 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -135.04 26.62 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.365 0.603 . . . . 0.56 109.477 179.66 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 -63.47 -48.24 78.49 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 121.628 -0.67 . . . . 2.83 111.473 -170.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.94 -28.88 58.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.801 0.688 . . . . 0.33 110.553 174.065 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -75.51 -44.88 41.39 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.525 -0.734 . . . . 2.79 109.213 -177.318 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.806 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.9 t -67.19 -48.37 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 120.631 -0.428 . . . . 0.45 110.167 178.052 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -51.01 -60.35 3.18 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 117.765 -1.112 . . . . 3.06 110.589 173.713 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.3 t -48.76 -48.46 40.9 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.71 1.141 . . . . 0.55 110.969 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.04 -53.37 58.87 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.851 0.46 . . . . 0.41 111.958 177.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.418 HD12 HG12 ' A' ' 56' ' ' VAL . 18.0 mt -61.98 -45.18 94.75 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.39 0.676 . . . . 1.19 110.84 -178.291 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -52.62 -54.22 36.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.721 -0.672 . . . . 2.36 109.263 175.142 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.41 -42.13 91.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.639 -0.255 . . . . 4.27 111.438 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.49 -28.71 46.73 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.255 1.022 . . . . 0.53 111.764 176.542 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.8 49.3 0.38 Allowed Glycine 0 C--N 1.336 0.547 0 N-CA-C 111.211 -0.756 . . . . 0.86 111.211 166.384 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -134.24 -179.23 5.44 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.882 -1.155 . . . . 2.42 107.882 171.155 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.3 m -128.93 140.79 51.51 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 104.115 -2.55 . . . . 2.23 104.115 164.275 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.1 pp -127.37 167.53 16.07 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.888 -0.782 . . . . 0.83 108.888 171.284 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.32 125.54 51.3 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 103.47 -2.789 . . . . 3.48 103.47 158.365 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -70.13 150.3 46.68 Favored 'General case' 0 N--CA 1.424 -1.764 0 N-CA-C 107.423 -1.325 . . . . 3.05 107.423 166.196 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.66 -176.76 3.78 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 112.544 -2.116 . . . . 2.68 110.793 -169.001 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -68.82 176.88 2.81 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.823 0.82 . . . . 3.69 109.963 174.814 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.05 -70.02 0.25 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.615 -0.72 . . . . 1.81 109.681 173.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -168.77 162.47 11.57 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.265 1.826 . . . . 2.48 106.949 176.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 . . . . . 0 C--O 1.253 1.265 0 CA-C-O 117.573 -1.203 . . . . 5.53 108.724 153.35 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 111.706 0.261 . . . . 5.49 111.706 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.66 -157.39 3.7 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 124.704 1.145 . . . . 1.72 110.467 173.58 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.94 146.05 46.17 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.232 -1.025 . . . . 0.92 108.232 172.001 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -97.01 144.24 27.09 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.835 -1.53 . . . . 3.19 107.308 173.081 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.642 ' HE2' ' HB3' ' A' ' 48' ' ' ALA . 14.2 m-85 -125.43 134.9 51.94 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 127.058 2.143 . . . . 2.34 108.494 171.01 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.458 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 8.0 p -116.53 155.2 29.07 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 123.93 0.769 . . . . 2.03 111.068 173.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.815 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -141.08 163.37 33.15 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.211 1.004 . . . . 1.1 109.98 169.169 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -113.84 118.32 33.9 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 106.461 -1.681 . . . . 2.06 106.461 168.465 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.97 162.85 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.621 -0.881 . . . . 1.1 108.621 179.152 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.34 108.31 6.72 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.053 -1.091 . . . . 0.93 108.053 171.503 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.36 -36.96 1.6 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.838 -0.505 . . . . 1.02 111.838 170.809 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -69.9 112.49 6.35 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.466 -0.432 . . . . 1.99 110.439 -177.045 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.94 58.27 0.31 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.734 0.778 . . . . 3.64 110.13 166.49 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.61 131.17 9.71 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.643 1.177 . . . . 2.46 110.535 179.412 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.18 72.32 0.11 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.835 1.254 . . . . 2.8 113.003 -176.837 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 179.94 -50.5 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 127.529 2.332 . . . . 0.9 107.975 -173.313 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.0 p -72.55 -33.24 66.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.147 -0.686 . . . . 2.56 109.147 179.35 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -52.35 -49.64 63.92 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.775 -0.454 . . . . 0.52 109.775 170.904 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 61.0 mtp180 -61.7 -50.35 72.83 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 119.838 -0.745 . . . . 5.35 109.649 178.593 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -51.14 -44.59 61.42 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.488 1.04 . . . . 4.0 112.162 178.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -56.24 -60.17 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.873 0.869 . . . . 0.85 111.061 173.645 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.1 pt-20 -64.56 -38.09 89.8 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 119.385 -0.926 . . . . 2.39 108.589 -172.233 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.54 -35.32 80.1 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.258 1.023 . . . . 0.55 109.865 178.225 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -59.56 -23.68 63.09 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.4 0.68 . . . . 0.5 112.46 170.03 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.619 HG22 HG13 ' A' ' 56' ' ' VAL . 57.7 t -92.98 -46.14 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.315 1.446 . . . . 1.69 110.813 176.478 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -63.72 -32.97 74.63 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 120.723 -1.236 . . . . 2.91 109.343 -171.557 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -63.84 -15.78 59.71 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.547 1.314 . . . . 0.85 114.547 177.709 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.37 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.002 1.274 . . . . 0.67 111.555 -174.834 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 168.0 -51.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 126.006 1.722 . . . . 0.33 108.694 177.573 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.32 -20.12 79.82 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 115.077 -0.965 . . . . 0.55 113.156 -170.213 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.49 140.99 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.461 1.104 . . . . 0.58 109.681 177.154 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -99.29 -51.86 3.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 107.064 -1.458 . . . . 2.17 107.064 169.819 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -148.72 161.49 41.66 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 124.331 1.052 . . . . 1.5 108.597 -170.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 p -152.99 139.88 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 125.195 1.398 . . . . 1.43 108.203 -173.612 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -135.38 109.21 8.09 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 122.479 1.133 . . . . 2.09 108.989 175.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.437 HG12 ' CD2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -97.06 125.21 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 C-N-CA 127.725 2.41 . . . . 1.55 106.214 171.655 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.6 tp -126.48 115.27 19.31 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.234 -1.025 . . . . 0.79 108.234 177.925 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 14.2 m-85 -62.7 169.36 3.16 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 124.047 0.939 . . . . 2.39 112.453 174.19 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.57 -38.99 0.4 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.168 1.387 . . . . 1.23 113.649 -177.409 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -88.19 -4.01 58.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.976 0.91 . . . . 2.07 112.158 171.104 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 41.32 37.97 0.72 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.754 2.022 . . . . 4.66 113.362 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.55 127.25 53.45 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 106.978 -1.49 . . . . 1.41 106.978 -168.269 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -100.12 136.97 39.21 Favored 'General case' 0 N--CA 1.425 -1.688 0 N-CA-C 108.066 -1.087 . . . . 1.08 108.066 177.656 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.2 t -132.77 136.38 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 O-C-N 124.724 1.265 . . . . 0.76 110.214 167.39 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.5 t -129.05 135.28 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 106.829 -1.545 . . . . 0.45 106.829 176.803 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.79 107.63 13.87 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.939 1.295 . . . . 2.22 107.916 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.642 ' HB3' ' HE2' ' A' ' 6' ' ' TYR . . . -131.08 161.62 31.65 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.282 1.433 . . . . 0.88 109.663 -172.844 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.85 56.39 0.77 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.155 -1.054 . . . . 1.99 108.155 177.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -10.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 117.708 2.484 . . . . 2.95 117.708 178.697 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 70.35 107.14 0.06 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 121.414 1.915 . . . . 4.29 112.792 -178.778 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 pp -147.75 28.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.351 0 O-C-N 121.653 -0.654 . . . . 0.49 111.344 -172.723 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -58.94 -47.24 85.78 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 121.118 -0.989 . . . . 2.39 111.612 -173.565 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.23 -33.09 68.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 123.684 0.615 . . . . 0.32 110.051 176.486 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -76.87 -37.13 56.1 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.896 -0.409 . . . . 3.04 109.896 -177.199 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.815 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 79.1 t -64.71 -58.12 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 108.166 -1.05 . . . . 0.52 108.166 172.634 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -43.82 -58.24 2.84 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 117.809 -1.091 . . . . 2.34 111.443 178.452 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -43.96 -41.75 5.51 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.208 0.913 . . . . 0.69 111.289 178.505 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -72.62 -47.05 50.91 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 121.824 -0.547 . . . . 0.3 110.156 -175.658 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.52 -42.24 98.46 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.354 0.597 . . . . 1.88 111.686 176.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.62 -50.73 71.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.841 -0.8 . . . . 2.48 108.841 174.934 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -60.79 -43.17 98.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.225 0.21 . . . . 4.02 110.993 177.933 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.2 -40.28 85.24 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.877 0.871 . . . . 0.8 110.578 178.712 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.94 50.82 0.18 Allowed Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.343 0.973 . . . . 0.74 111.83 169.171 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -136.72 131.1 33.03 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 117.859 0.83 . . . . 2.93 109.955 174.013 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 m -87.47 105.96 17.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.75 -1.204 . . . . 2.14 107.75 173.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 pp -101.7 178.75 4.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.203 0.601 . . . . 0.75 110.521 172.474 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -131.27 131.84 44.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 104.011 -2.588 . . . . 5.9 104.011 166.363 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -71.99 124.9 25.92 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 106.627 -1.62 . . . . 2.56 106.627 178.325 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -87.69 178.19 6.82 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 114.572 -1.195 . . . . 2.6 110.439 175.592 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -68.55 176.23 3.03 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.598 -1.183 . . . . 5.36 109.722 173.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.87 -57.59 7.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.48 -0.782 . . . . 1.61 109.122 178.599 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.4 53.31 0.32 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.324 -1.362 . . . . 2.39 107.324 176.51 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 C--O 1.25 1.101 0 N-CA-C 107.541 -1.281 . . . . 6.14 107.541 -141.877 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 CA--C 1.54 0.596 0 CA-C-O 119.382 -0.342 . . . . 5.45 110.264 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 39.31 -155.35 0.03 OUTLIER Glycine 0 C--N 1.341 0.824 0 C-N-CA 127.784 2.611 . . . . 1.33 115.984 176.749 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.8 m -141.04 134.56 29.96 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 107.849 -1.167 . . . . 0.86 107.849 167.345 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -96.85 118.89 34.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 O-C-N 124.676 1.235 . . . . 3.4 108.776 -176.346 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.71 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 8.6 m-85 -99.1 134.24 42.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.657 -1.611 . . . . 1.92 113.018 170.101 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -106.67 148.09 28.78 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.179 1.392 . . . . 2.02 109.232 171.054 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.828 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -136.31 164.9 27.02 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.184 0.994 . . . . 1.09 109.826 166.294 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -122.65 102.43 8.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 126.426 1.89 . . . . 3.18 107.883 -178.105 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 11' ' ' SER . 1.8 t -96.64 177.07 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.621 0.724 . . . . 1.28 110.198 -174.755 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.462 ' H ' HG12 ' A' ' 10' ' ' VAL . 4.0 m -156.67 102.11 2.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.623 1.569 . . . . 1.39 107.11 173.507 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.62 -32.85 1.1 Allowed Glycine 0 CA--C 1.533 1.198 0 CA-C-N 118.054 0.388 . . . . 0.75 112.826 179.681 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.67 75.45 0.18 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.405 0.682 . . . . 2.44 112.234 179.545 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 9.4 m-20 -120.64 61.47 0.88 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 121.524 0.678 . . . . 4.38 111.848 177.753 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.75 155.06 2.57 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 122.035 -0.415 . . . . 2.27 110.724 166.042 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.43 38.58 0.15 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.566 1.546 . . . . 2.39 112.889 -175.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.97 -51.98 0.13 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 127.473 2.309 . . . . 1.22 108.616 -172.674 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 m -60.12 -36.57 77.77 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 107.793 -1.188 . . . . 1.98 107.793 171.324 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.43 -35.38 52.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.571 -0.74 . . . . 0.86 111.944 172.859 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -74.29 -47.82 32.44 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 121.075 -1.015 . . . . 3.7 108.914 175.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -49.56 -37.03 25.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.645 -0.66 . . . . 2.79 111.331 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.3 t -55.71 -55.88 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 124.483 1.113 . . . . 0.68 111.984 170.893 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 26' ' ' VAL . 7.0 pt-20 -66.18 -43.54 86.58 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.226 0.921 . . . . 1.85 108.6 -176.647 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -65.77 -30.83 71.54 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.176 -0.953 . . . . 0.63 110.384 -176.6 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.83 -22.25 35.09 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 118.334 -0.841 . . . . 0.48 112.058 170.323 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.638 HG12 HG13 ' A' ' 56' ' ' VAL . 5.9 m -106.95 -38.49 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 119.071 0.851 . . . . 1.83 113.187 177.548 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -59.31 -24.5 63.36 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 120.92 -1.113 . . . . 2.67 111.11 178.712 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -68.41 -13.07 62.03 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.505 0.928 . . . . 0.53 113.505 176.485 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -114.89 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.731 1.212 . . . . 0.73 109.337 -178.49 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.78 -49.22 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 125.286 1.435 . . . . 0.3 108.454 -179.674 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.56 -18.09 79.95 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 115.659 -0.701 . . . . 0.38 113.115 -174.692 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.61 130.64 22.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.812 0.845 . . . . 0.45 110.814 176.297 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.58 -62.67 1.21 Allowed 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.151 1.38 . . . . 2.12 108.574 178.384 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -143.83 109.12 5.05 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.878 -1.156 . . . . 1.33 107.878 -165.282 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -102.53 138.83 25.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 123.628 0.771 . . . . 1.35 109.32 178.723 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.53 111.36 8.79 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.238 1.018 . . . . 1.65 109.338 168.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.04 123.25 44.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 127.818 2.447 . . . . 1.83 104.511 170.573 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 tp -106.43 87.45 2.55 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 105.088 -2.19 . . . . 0.56 105.088 172.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 1.6 t80 -69.61 80.52 0.42 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.138 -1.06 . . . . 3.34 108.138 170.787 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -167.13 -56.09 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.022 2.129 . . . . 1.77 106.7 166.662 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -97.0 38.39 1.24 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.832 1.253 . . . . 1.49 110.885 -177.743 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 36.16 27.35 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 128.742 2.817 . . . . 5.12 116.651 175.641 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -114.28 139.62 49.27 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.61 -1.256 . . . . 2.21 107.61 -166.179 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.75 143.59 33.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.378 -0.971 . . . . 1.82 108.378 167.396 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -126.51 139.55 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 O-C-N 123.929 0.768 . . . . 0.71 111.258 156.214 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.52 119.54 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 125.688 1.595 . . . . 0.4 107.676 174.816 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -96.01 125.42 40.54 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.472 -1.677 . . . . 4.07 106.472 169.296 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.14 146.2 32.61 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.129 0.571 . . . . 0.54 110.628 -177.828 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -86.28 58.35 5.0 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.958 -0.756 . . . . 2.38 108.958 177.394 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.68 160.17 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.219 1.808 . . . . 1.68 110.852 175.629 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.94 105.4 4.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.484 1.514 . . . . 4.13 110.57 172.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.05 25.02 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 123.284 0.634 . . . . 0.6 111.799 175.321 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -62.4 -43.46 98.78 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.924 -1.11 . . . . 3.75 111.179 -174.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.33 -32.91 72.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 123.65 0.594 . . . . 0.27 109.7 174.569 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -46.06 69.7 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.856 -0.794 . . . . 2.79 108.856 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.828 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.6 t -65.55 -52.02 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 N-CA-C 108.865 -0.791 . . . . 0.41 108.865 -178.887 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -44.12 -61.98 1.3 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 117.103 -1.427 . . . . 3.18 110.683 171.605 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -46.88 -46.44 21.12 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 120.05 1.295 . . . . 0.59 111.063 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.75 -51.92 67.71 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.496 0.554 . . . . 0.34 112.496 177.468 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.623 HD12 HG12 ' A' ' 56' ' ' VAL . 3.5 mt -65.22 -41.76 94.1 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.698 0.799 . . . . 1.08 111.411 -178.563 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -54.68 18.45 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.205 1.002 . . . . 2.89 108.674 171.484 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -61.76 -47.53 84.79 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.414 0.149 . . . . 3.94 110.817 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.15 -33.44 67.42 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.041 0.937 . . . . 0.44 110.973 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.71 45.39 0.38 Allowed Glycine 0 CA--C 1.524 0.597 0 C-N-CA 124.318 0.961 . . . . 0.53 111.581 165.631 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -137.17 129.26 29.35 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 117.876 0.838 . . . . 1.98 109.247 177.249 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 p -84.39 120.08 25.86 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.786 -1.19 . . . . 1.62 107.786 177.138 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.441 HD13 ' HD1' ' A' ' 8' ' ' TRP . 3.4 pp -121.16 175.15 6.25 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.93 0.892 . . . . 0.86 109.93 171.472 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -130.5 155.93 45.64 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.288 -1.745 . . . . 3.38 106.288 161.341 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -84.39 92.26 7.99 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.95 1.3 . . . . 2.68 110.944 -174.88 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.77 167.34 7.6 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 121.756 -0.59 . . . . 2.28 111.874 -173.141 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.87 133.37 3.64 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.073 0.949 . . . . 4.23 109.405 160.087 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.95 -74.78 0.07 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.448 0.299 . . . . 1.69 110.293 176.598 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -165.6 121.13 1.31 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 106.935 -1.506 . . . . 3.49 106.935 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 124.845 1.258 . . . . 8.12 111.25 -170.938 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 106.015 -1.846 . . . . 4.95 106.015 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -156.2 -161.95 11.06 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 109.798 -1.321 . . . . 1.16 109.798 -178.006 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.7 m -142.34 150.16 40.39 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 118.351 1.076 . . . . 0.88 111.953 -176.117 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.419 ' HG3' HG13 ' A' ' 45' ' ' VAL . 25.3 ttm180 -99.03 120.41 39.42 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 126.442 1.897 . . . . 3.44 109.468 -177.507 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' HD2' ' A' ' 53' ' ' ARG . 22.5 m-85 -118.61 123.83 45.96 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.106 1.15 . . . . 2.42 114.106 173.656 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.8 m -99.12 157.29 16.46 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.551 0.574 . . . . 1.82 112.551 -178.603 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.684 ' CD1' HD23 ' A' ' 67' ' ' LEU . 19.8 m-90 -138.69 157.04 46.85 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.249 1.42 . . . . 2.6 110.165 167.055 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -113.85 94.83 5.01 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.669 -2.345 . . . . 2.53 104.669 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.606 HG21 HD23 ' A' ' 44' ' ' LEU . 12.1 t -95.93 155.28 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.44 -0.948 . . . . 0.97 108.44 -166.812 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 t -140.67 99.98 3.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.157 -1.423 . . . . 1.08 107.157 179.053 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.64 -12.26 1.52 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.825 1.679 . . . . 1.15 114.389 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -102.61 102.52 12.75 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 120.088 1.944 . . . . 2.01 110.656 -179.28 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -138.92 3.52 2.23 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.042 -1.036 . . . . 4.43 113.609 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.7 t -109.85 -90.87 0.46 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.247 1.019 . . . . 2.22 112.466 -165.765 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.78 -62.8 0.01 OUTLIER 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.559 1.143 . . . . 2.13 109.439 -177.415 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.11 -34.45 60.3 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.896 -0.503 . . . . 0.89 111.279 177.012 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -69.51 -36.51 76.51 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.45 1.5 . . . . 2.88 109.587 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.596 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -65.13 -43.13 92.95 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.549 -0.908 . . . . 0.5 108.549 177.201 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 67.7 mtt180 -60.21 -50.31 74.17 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 119.515 -0.874 . . . . 3.16 109.636 173.613 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -51.22 -42.15 60.76 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.216 -0.927 . . . . 3.5 112.127 177.397 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.45 -62.29 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 120.142 1.337 . . . . 0.61 109.952 172.718 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 17.1 pt-20 -62.01 -45.04 95.35 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 107.134 -1.432 . . . . 1.95 107.134 -165.891 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -61.63 -43.35 99.03 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.887 0.875 . . . . 0.63 110.359 178.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.97 -25.26 66.72 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.672 0.669 . . . . 0.74 112.325 173.677 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.612 HG12 HG11 ' A' ' 32' ' ' VAL . 84.2 t -83.49 -37.94 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.936 0.894 . . . . 1.75 110.111 172.644 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -70.34 -37.11 74.59 Favored 'General case' 0 C--O 1.227 -0.085 0 O-C-N 120.257 -1.527 . . . . 2.69 110.321 -174.115 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -58.77 -18.73 34.44 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.328 0.862 . . . . 0.68 113.328 -175.759 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.12 -89.22 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.869 0.868 . . . . 1.09 111.779 -174.795 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 159.98 -54.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 128.576 2.75 . . . . 0.52 108.332 -178.048 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.07 -3.43 89.51 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.584 -0.734 . . . . 0.82 114.227 -168.291 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.612 HG11 HG12 ' A' ' 26' ' ' VAL . 77.7 t -79.24 143.45 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.917 -1.142 . . . . 0.4 107.917 176.3 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -110.39 -48.4 3.17 Favored 'General case' 0 C--N 1.338 0.101 0 N-CA-C 109.271 -0.64 . . . . 3.34 109.271 168.788 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -139.47 158.32 44.33 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.838 0.855 . . . . 1.87 108.694 -176.823 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.9 p -143.38 136.43 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 124.779 1.231 . . . . 1.76 108.616 -179.832 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -112.64 91.54 3.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 127.202 2.201 . . . . 1.93 108.778 171.638 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.53 114.93 28.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 105.563 -2.014 . . . . 1.71 105.563 169.287 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.1 tp -125.63 112.18 15.85 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.563 -0.71 . . . . 0.45 109.243 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 22.9 m-85 -60.0 167.71 2.17 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.029 0.932 . . . . 2.17 112.238 170.435 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.85 -55.28 0.67 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.917 2.087 . . . . 1.22 111.374 175.433 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -62.53 -34.13 76.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.539 -0.912 . . . . 1.15 108.539 160.65 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 59.2 45.27 14.54 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.466 1.506 . . . . 4.81 109.193 -176.81 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.25 139.38 34.99 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.231 -1.804 . . . . 1.37 108.505 -177.182 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.606 HD23 HG21 ' A' ' 10' ' ' VAL 0.258 0.4 OUTLIER -96.98 143.87 27.43 Favored 'General case' 0 CA--C 1.491 -1.301 0 N-CA-C 106.251 -1.759 . . . . 1.69 106.251 160.688 . . . . . . . . 4 4 . 1 . 028 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.419 HG13 ' HG3' ' A' ' 5' ' ' ARG . 1.1 t -138.39 133.62 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 106.642 -1.614 . . . . 0.78 106.642 149.073 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.53 HG23 HD12 ' A' ' 44' ' ' LEU . 22.7 t -118.51 110.42 30.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 126.504 1.922 . . . . 1.03 108.071 179.198 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -98.61 104.63 16.68 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 106.115 -1.809 . . . . 2.47 106.115 178.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.32 138.03 39.56 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.741 1.216 . . . . 0.52 110.57 -166.459 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -87.97 55.63 3.54 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.91 -0.494 . . . . 3.04 111.048 -170.65 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 154.75 152.28 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 126.144 1.777 . . . . 1.77 107.564 -166.233 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -74.24 121.2 20.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.295 -1.002 . . . . 3.19 108.295 163.857 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 pp -134.06 19.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 124.544 1.138 . . . . 0.81 108.641 167.578 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.62 ' HB3' ' CH2' ' A' ' 8' ' ' TRP . 28.0 mtp180 -65.65 -46.39 79.36 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 120.393 -1.442 . . . . 3.93 111.535 -161.02 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.61 -29.04 1.64 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.214 1.005 . . . . 0.53 110.14 174.562 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -74.99 -48.28 24.99 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.476 -0.935 . . . . 3.09 108.476 -178.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.5 t -58.01 -55.6 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.187 0.595 . . . . 0.57 109.956 174.182 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -50.07 -53.95 23.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.736 1.214 . . . . 3.23 110.405 177.881 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -55.85 -48.74 74.98 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.653 1.115 . . . . 0.83 109.801 176.645 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.98 -47.14 68.43 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 123.036 0.534 . . . . 0.26 112.004 179.25 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.37 -46.78 75.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.884 1.273 . . . . 1.14 108.743 -178.135 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -48.72 -51.92 26.27 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.944 -1.025 . . . . 2.44 111.281 172.418 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -67.76 -41.96 82.53 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.979 -0.451 . . . . 8.01 111.333 179.374 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.73 79.69 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 123.942 0.897 . . . . 0.61 110.643 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.98 50.89 0.09 OUTLIER Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.252 -0.739 . . . . 0.83 111.252 169.777 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -132.55 -179.25 5.33 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.681 -0.859 . . . . 2.32 108.681 171.449 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.9 p -142.43 135.24 28.29 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 105.001 -2.222 . . . . 1.63 105.001 172.101 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.684 HD23 ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -151.08 169.24 22.32 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.283 1.433 . . . . 2.88 107.217 179.231 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -141.55 116.87 10.11 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 102.811 -3.033 . . . . 3.38 102.811 -174.135 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -28.01 102.37 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.843 1.657 . . . . 3.33 113.332 174.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.18 179.02 7.86 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.971 -1.122 . . . . 3.73 107.971 176.014 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -64.7 166.91 8.05 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.62 0.724 . . . . 4.19 110.349 167.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.87 -59.59 5.18 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.317 -0.994 . . . . 2.22 108.317 171.777 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.62 155.37 46.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.506 1.923 . . . . 2.43 105.873 167.081 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 117.009 -1.472 . . . . 8.2 108.512 166.077 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.45 -0.447 0 N-CA-C 106.304 -1.739 . . . . 5.33 106.304 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.01 105.16 2.56 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 108.185 -1.966 . . . . 1.49 108.185 -177.535 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.62 146.73 40.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 107.326 -1.361 . . . . 1.71 107.326 -177.241 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -108.78 139.64 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.632 0.773 . . . . 4.08 110.335 -177.404 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.696 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 14.9 m-85 -129.29 130.11 45.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.612 1.165 . . . . 1.81 111.158 176.545 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -100.28 145.83 27.64 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.98 1.712 . . . . 2.17 110.197 175.155 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.898 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -139.85 162.11 35.96 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.003 0.921 . . . . 1.06 110.688 163.076 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -113.03 94.66 5.0 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.164 1.786 . . . . 2.07 107.923 -173.509 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.524 HG21 HD23 ' A' ' 44' ' ' LEU . 3.1 t -96.93 124.58 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 118.777 0.717 . . . . 1.34 110.019 -167.933 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -117.17 108.81 16.13 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.648 -1.612 . . . . 1.48 106.648 170.345 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.42 -29.25 1.77 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.902 -0.879 . . . . 1.14 110.902 172.482 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.21 81.09 0.72 Allowed 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.045 -0.724 . . . . 5.57 109.045 174.626 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.431 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 10.4 m-20 -141.32 69.06 1.33 Allowed 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 123.475 0.484 . . . . 5.19 110.144 -176.25 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.5 t -150.06 -95.83 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.438 0.295 . . . . 2.54 110.315 172.331 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.68 -66.96 0.03 OUTLIER 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 124.236 1.014 . . . . 2.03 108.856 178.251 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.08 -19.21 61.16 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.543 -0.723 . . . . 1.16 112.103 174.717 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 m -68.74 -25.89 64.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.539 1.136 . . . . 2.06 109.186 175.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.67 -49.46 73.12 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.599 -0.519 . . . . 0.61 109.599 171.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 75.5 mtt180 -58.46 -42.46 87.52 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 120.124 -0.631 . . . . 2.59 110.458 176.667 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -45.32 -44.06 11.29 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.447 1.021 . . . . 3.14 112.093 173.259 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.459 ' CG1' HD21 ' A' ' 44' ' ' LEU . 81.0 t -61.75 -60.65 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 119.585 1.084 . . . . 0.87 110.81 177.104 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 11.6 pt-20 -61.11 -38.46 86.4 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 106.871 -1.529 . . . . 2.06 106.871 -168.392 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -70.17 -38.88 75.52 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.212 -0.93 . . . . 0.59 110.616 -179.03 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 -25.6 27.46 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.996 0.918 . . . . 0.41 112.058 172.288 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.503 HG12 HG13 ' A' ' 56' ' ' VAL . 6.3 m -103.91 -37.4 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 113.296 0.85 . . . . 1.88 113.296 177.886 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.06 -28.95 63.02 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 120.942 -1.099 . . . . 2.39 109.998 178.674 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.22 -13.07 61.97 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.758 1.022 . . . . 0.53 113.758 177.661 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -115.5 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.051 0.941 . . . . 0.68 109.279 -178.712 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.38 -48.09 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 124.627 1.171 . . . . 0.42 108.394 -179.281 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.62 -22.57 77.02 Favored Glycine 0 CA--C 1.529 0.906 0 CA-C-N 115.799 -0.637 . . . . 0.54 113.021 -174.652 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.1 t -50.23 139.43 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 124.584 1.154 . . . . 0.72 111.949 174.607 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -123.57 -60.8 1.44 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.849 0.859 . . . . 3.51 112.152 172.803 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -138.24 76.96 1.6 Allowed 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.147 1.339 . . . . 2.44 111.924 -162.822 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.442 HG21 ' CG2' ' A' ' 26' ' ' VAL . 77.6 t -82.37 145.67 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 124.621 1.168 . . . . 2.76 109.38 -171.803 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.65 103.19 4.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 122.245 1.021 . . . . 2.0 109.676 175.373 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 t -92.6 106.03 17.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 126.336 1.854 . . . . 1.98 107.733 178.198 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.9 tp -99.86 75.87 1.92 Allowed 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.755 1.264 . . . . 0.55 107.606 178.098 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.4 t80 -60.23 103.71 0.25 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.084 -1.416 . . . . 3.31 107.383 163.535 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 142.8 -29.49 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 129.19 2.996 . . . . 1.74 110.019 -177.751 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -124.19 38.25 4.23 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.368 -0.604 . . . . 1.44 109.368 177.276 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 35.75 27.94 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 128.556 2.742 . . . . 5.77 115.003 179.248 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.44 124.31 51.52 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.547 -0.909 . . . . 1.41 108.547 -163.741 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.524 HD23 HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -97.3 123.65 41.18 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 104.532 -2.396 . . . . 1.49 104.532 165.854 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 t -126.71 133.24 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 118.837 0.744 . . . . 0.66 111.012 159.625 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.0 t -125.83 117.96 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 N-CA-C 106.832 -1.544 . . . . 0.37 106.832 177.482 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.93 118.83 36.58 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 106.648 -1.612 . . . . 2.3 106.648 171.076 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.53 144.26 31.24 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.528 1.931 . . . . 0.51 111.568 -170.099 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.32 56.76 3.48 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.17 0.988 . . . . 2.11 109.882 178.734 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 46.5 p30 170.0 168.4 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 127.486 2.314 . . . . 1.73 106.896 175.824 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.45 130.54 34.76 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 119.87 1.214 . . . . 3.38 108.921 164.17 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 56' ' ' VAL . 1.3 pp -139.89 29.97 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 O-C-N 123.578 0.549 . . . . 0.61 109.591 171.294 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mtm-85 -64.98 -49.48 70.1 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.679 -1.263 . . . . 2.84 111.342 -167.804 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.54 -32.77 69.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 123.817 0.698 . . . . 0.5 110.188 173.161 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.9 -46.45 68.3 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 119.871 -0.732 . . . . 3.54 109.643 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.898 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 42.5 t -66.49 -52.35 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 N-CA-C 107.884 -1.154 . . . . 0.36 107.884 -178.467 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.545 ' CG ' HD11 ' A' ' 67' ' ' LEU . 5.1 tm-20 -46.98 -56.47 6.35 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 118.264 -0.874 . . . . 2.84 111.704 176.899 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -47.9 -42.63 27.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.816 0.735 . . . . 0.66 111.138 177.457 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.34 -45.15 66.72 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.42 -0.8 . . . . 0.46 110.558 -176.698 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.426 HD13 HG12 ' A' ' 56' ' ' VAL . 6.3 mp -64.25 -42.77 96.36 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.368 0.604 . . . . 1.69 110.417 179.046 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.01 -49.73 75.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.816 -0.629 . . . . 2.19 109.686 175.732 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.09 -37.85 88.83 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.45 -0.157 . . . . 4.88 111.418 178.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.07 85.65 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.842 0.857 . . . . 0.53 110.183 176.44 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.41 41.97 0.28 Allowed Glycine 0 CA--C 1.523 0.567 0 C-N-CA 124.363 0.983 . . . . 0.6 111.624 168.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -116.63 166.56 11.97 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 117.585 0.692 . . . . 2.19 110.054 174.767 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -118.81 131.41 56.09 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 105.438 -2.06 . . . . 1.34 105.438 171.132 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' A' ' 57' ' ' GLU . 3.0 pp -142.27 170.99 14.68 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 124.232 0.958 . . . . 0.81 108.623 175.337 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -134.91 126.55 28.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 104.02 -2.585 . . . . 3.7 104.02 175.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -52.83 114.39 1.4 Allowed 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.124 0.97 . . . . 3.02 108.429 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -95.24 167.11 11.56 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 114.773 -1.103 . . . . 2.41 108.692 -179.106 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -49.18 156.45 0.56 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.854 -1.066 . . . . 3.84 110.901 169.248 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.42 -57.15 14.2 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.819 0.818 . . . . 1.79 109.342 173.049 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.97 164.38 38.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.708 2.003 . . . . 2.18 105.807 168.057 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.207 -1.377 . . . . 6.56 108.599 166.996 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 106.089 -1.819 . . . . 4.69 106.089 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.4 156.52 11.7 Favored Glycine 0 C--N 1.334 0.462 0 N-CA-C 111.24 -0.744 . . . . 1.47 111.24 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.29 155.89 16.98 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.696 -1.224 . . . . 1.01 107.696 -178.789 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -99.24 141.49 31.94 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.883 -1.053 . . . . 3.93 109.332 178.45 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.66 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 13.0 m-85 -124.16 123.8 41.08 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 125.966 1.706 . . . . 1.96 108.94 171.841 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.475 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 11.2 t -99.57 158.48 15.72 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.913 0.758 . . . . 2.04 109.144 169.652 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.777 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -134.76 167.4 20.93 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 126.65 1.98 . . . . 1.06 107.158 163.33 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -112.01 127.82 56.0 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 105.488 -2.042 . . . . 1.93 105.488 161.456 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.58 164.45 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 124.732 1.213 . . . . 1.09 109.834 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -145.45 115.73 7.52 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.187 -1.042 . . . . 1.39 108.187 164.507 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.96 -37.98 1.07 Allowed Glycine 0 CA--C 1.528 0.865 0 O-C-N 123.524 0.515 . . . . 0.8 112.429 169.266 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -68.52 -25.05 64.75 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 116.707 2.114 . . . . 3.31 116.707 -162.051 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -51.34 77.66 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.418 1.887 . . . . 2.9 115.406 -165.318 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.7 m -143.51 -96.99 0.11 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.954 1.701 . . . . 2.29 110.531 176.358 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.86 -68.13 0.03 OUTLIER 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.701 1.2 . . . . 2.04 109.185 -178.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.23 -31.63 44.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.591 0.757 . . . . 0.87 112.086 177.153 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.3 m -68.73 -33.87 74.65 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.914 -0.773 . . . . 1.79 108.914 -178.682 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.71 84.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.752 -0.833 . . . . 0.72 108.752 175.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.452 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 2.3 mpt_? -58.75 -53.13 61.86 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 109.702 -0.481 . . . . 4.28 109.702 175.479 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -46.17 -47.07 17.69 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 120.345 -0.542 . . . . 3.38 111.666 177.231 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.559 HG11 HD21 ' A' ' 44' ' ' LEU . 99.5 t -62.55 -58.22 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 118.656 0.662 . . . . 0.59 112.571 176.464 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.479 ' O ' HG22 ' A' ' 26' ' ' VAL . 16.2 pt-20 -59.56 -41.46 90.23 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 107.757 -1.201 . . . . 2.25 107.757 -171.734 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -63.88 -38.83 92.55 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.081 -1.012 . . . . 0.77 110.813 176.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.2 -28.74 19.5 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.705 0.802 . . . . 0.55 111.976 173.039 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 23' ' ' GLU . 8.6 m -98.55 -41.12 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 112.432 0.53 . . . . 2.05 112.432 178.5 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -59.73 -29.95 68.49 Favored 'General case' 0 N--CA 1.462 0.136 0 O-C-N 121.692 -0.63 . . . . 3.68 110.131 -177.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.53 -14.09 62.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.891 1.071 . . . . 0.58 113.891 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.62 -116.07 0.0 OUTLIER 'General case' 0 C--N 1.343 0.306 0 CA-C-N 118.999 0.818 . . . . 0.84 110.441 178.391 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.1 -49.32 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.177 0 N-CA-C 109.109 -0.7 . . . . 0.36 109.109 -177.149 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.35 -14.66 75.97 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 115.652 -0.704 . . . . 0.44 113.017 -175.368 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.31 132.74 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.952 0.901 . . . . 0.42 109.074 169.224 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -111.19 -61.2 1.73 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.908 -1.145 . . . . 2.28 107.908 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -119.3 159.8 23.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.983 1.713 . . . . 3.03 107.499 -176.868 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.33 138.87 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.402 1.081 . . . . 1.6 108.651 -178.578 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -126.27 95.12 4.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.337 1.455 . . . . 1.88 108.796 174.433 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.433 HG22 HD21 ' A' ' 44' ' ' LEU . 18.3 t -92.92 103.47 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 107.006 -1.479 . . . . 2.04 107.006 169.141 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.4 tp -113.52 103.9 11.72 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.66 -1.237 . . . . 0.51 107.66 178.861 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.53 163.6 5.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.712 0.405 . . . . 2.93 111.595 175.482 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.45 -43.15 0.45 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.556 2.342 . . . . 1.27 110.875 173.361 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.1 m -67.8 -30.05 69.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.209 0.603 . . . . 1.17 109.434 162.743 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 50.72 33.99 9.25 Favored 'General case' 0 C--N 1.344 0.338 0 C-N-CA 124.963 1.305 . . . . 4.17 111.703 -173.361 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -88.35 137.54 32.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.384 -2.08 . . . . 1.51 105.384 169.522 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.559 HD21 HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -116.45 116.53 27.84 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 117.601 -1.19 . . . . 1.13 108.555 168.172 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.91 138.55 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 O-C-N 123.985 0.803 . . . . 0.68 110.517 170.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 81.1 t -128.67 126.37 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 C-N-CA 125.789 1.636 . . . . 0.47 106.886 172.245 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.68 108.49 18.4 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.076 -1.824 . . . . 2.25 106.076 -177.547 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.99 140.42 34.35 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.737 1.215 . . . . 0.52 112.545 -161.07 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.59 63.53 4.76 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.873 0.869 . . . . 2.21 109.529 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 161.03 160.08 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 129.595 3.158 . . . . 1.79 106.98 173.596 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -82.93 124.28 30.21 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.731 1.213 . . . . 4.03 109.659 175.31 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 pp -145.2 25.04 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 118.806 0.73 . . . . 0.52 111.606 -178.806 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -59.4 -46.41 88.77 Favored 'General case' 0 CA--C 1.511 -0.557 0 O-C-N 121.264 -0.897 . . . . 2.36 111.281 -174.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.59 -32.57 70.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 123.974 0.796 . . . . 0.33 109.848 177.064 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -49.2 61.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.815 -0.809 . . . . 3.0 108.815 179.569 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.777 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 86.3 t -66.31 -48.2 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 N-CA-C 108.711 -0.848 . . . . 0.43 108.711 -175.697 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -48.38 -54.8 12.66 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 117.844 -1.074 . . . . 2.53 112.178 170.593 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -53.32 -49.3 67.35 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.734 1.152 . . . . 0.57 109.351 -179.84 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.58 89.13 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.139 0.422 . . . . 0.29 112.139 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.558 HD21 HG13 ' A' ' 22' ' ' VAL . 32.8 mt -68.66 -40.29 80.24 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.798 0.839 . . . . 1.04 109.632 -177.197 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -54.27 34.0 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.377 -0.828 . . . . 2.95 110.059 170.246 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -64.13 -39.69 94.58 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.033 -0.417 . . . . 7.13 111.585 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.47 70.56 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.356 0.662 . . . . 0.47 110.715 176.345 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.83 44.25 0.9 Allowed Glycine 0 C--N 1.336 0.536 0 C-N-CA 124.124 0.869 . . . . 0.59 111.322 168.273 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -124.8 141.88 51.81 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.061 -1.089 . . . . 2.06 108.061 169.416 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.1 m -83.92 138.89 32.94 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 106.853 -1.536 . . . . 1.57 106.853 166.933 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.54 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.4 pp -135.45 175.85 9.21 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.466 -0.568 . . . . 0.86 109.466 168.412 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -126.98 132.45 50.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 105.042 -2.207 . . . . 3.22 105.042 155.504 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.37 142.94 55.31 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.329 -1.73 . . . . 2.8 106.329 175.39 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -106.43 172.58 6.74 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 113.435 -1.711 . . . . 2.61 111.774 177.073 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -65.37 175.19 1.81 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-N 113.847 -1.524 . . . . 3.31 111.036 175.873 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.66 63.52 5.11 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.299 0.571 . . . . 2.54 110.807 -178.314 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 76.04 -64.18 0.36 Allowed 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 126.032 1.733 . . . . 3.3 110.613 -170.346 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--O 1.255 1.343 0 CA-C-O 115.866 -2.016 . . . . 5.19 105.735 177.769 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.665 -0.865 . . . . 0.92 108.665 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -99.14 113.51 25.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.362 -1.29 . . . . 5.62 109.587 -174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.622 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.6 m-85 -98.1 141.63 30.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.784 1.234 . . . . 2.05 112.076 172.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 4.7 m -123.38 151.57 42.43 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 123.607 0.763 . . . . 2.08 110.506 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.792 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -140.31 159.22 42.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 1.1 109.506 171.414 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 21.7 mtpt -110.66 120.19 41.6 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.379 -2.082 . . . . 1.87 105.379 172.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.38 160.06 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.311 1.044 . . . . 1.09 109.357 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.74 113.81 15.19 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.636 -1.246 . . . . 0.88 107.636 166.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -26.19 2.97 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.543 2.021 . . . . 0.89 112.628 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.36 77.23 8.26 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.184 -1.186 . . . . 2.05 112.288 -168.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -142.56 69.13 1.31 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.786 0.803 . . . . 3.44 110.669 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -162.96 149.57 12.6 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.804 -0.56 . . . . 2.29 111.104 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 63.71 3.0 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.565 0.95 . . . . 2.92 113.565 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.6 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 127.172 2.189 . . . . 0.85 109.383 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -68.22 -31.71 71.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.879 -0.786 . . . . 2.68 108.879 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -56.48 -47.02 80.12 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.502 -0.479 . . . . 0.49 111.249 172.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 41.2 mtt85 -63.58 -53.24 54.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.45 -0.945 . . . . 3.41 108.45 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.04 -37.75 54.64 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.446 -0.784 . . . . 4.15 111.991 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.51 -61.87 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.286 0.634 . . . . 0.59 110.873 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.4 pt-20 -61.67 -41.44 97.55 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 119.461 1.028 . . . . 1.77 108.444 -171.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -62.85 -34.86 78.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.405 1.082 . . . . 0.54 110.745 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -56.8 -24.76 53.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.442 0.565 . . . . 0.46 112.225 168.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.578 HG12 HG21 ' A' ' 32' ' ' VAL . 4.0 t -95.07 -44.78 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.642 1.177 . . . . 1.67 111.141 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -61.36 -29.87 70.17 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.376 -1.452 . . . . 2.89 110.18 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.62 -12.21 21.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.978 1.103 . . . . 0.52 113.978 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -71.87 -119.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.165 0.893 . . . . 0.45 109.276 176.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.21 -48.91 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.498 -0.751 . . . . 0.3 109.36 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.88 -20.62 79.74 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 115.662 -0.699 . . . . 0.46 112.407 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 HG12 ' A' ' 26' ' ' VAL . 69.5 t -62.85 134.21 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.083 -0.71 . . . . 0.44 109.083 174.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.84 21.37 1.97 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.557 0.577 . . . . 2.34 112.557 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -178.99 143.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.821 2.048 . . . . 1.39 106.008 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.38 138.46 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.056 1.342 . . . . 2.72 108.398 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 5.1 mt-30 -131.82 87.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.577 1.151 . . . . 1.83 108.663 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.19 109.71 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.068 1.347 . . . . 1.71 107.524 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.8 tp -112.33 116.17 29.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.933 0.893 . . . . 0.5 109.141 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 26.6 m-85 -62.37 167.61 4.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.198 0.599 . . . . 2.66 111.669 170.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.33 -50.43 0.55 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 127.04 2.136 . . . . 1.19 112.643 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -71.7 -26.11 62.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.45 -0.781 . . . . 0.98 109.429 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 57.54 38.62 28.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 122.678 1.227 . . . . 4.23 108.993 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.77 128.08 54.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 106.409 -1.7 . . . . 1.37 106.409 -171.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -99.98 139.07 36.18 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 107.971 -1.122 . . . . 1.11 107.971 -178.228 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 9.4 t -130.13 147.86 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 O-C-N 124.412 1.07 . . . . 0.68 110.237 160.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.1 t -138.56 120.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.945 1.698 . . . . 0.37 106.635 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.35 113.36 26.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.45 -1.685 . . . . 2.26 106.45 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.26 140.09 35.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.238 0.615 . . . . 0.49 109.422 -173.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 58.01 4.81 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.385 -0.598 . . . . 1.9 109.385 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.21 151.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.313 2.245 . . . . 1.77 109.009 178.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.425 ' OD2' ' NH1' ' A' ' 53' ' ' ARG . 14.3 t0 -70.67 125.08 25.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.562 -0.903 . . . . 3.3 108.562 169.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.8 27.19 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.547 -0.909 . . . . 0.53 108.547 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 49.6 mtm-85 -63.59 -43.76 96.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 121.149 -0.97 . . . . 2.49 111.2 -169.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -32.43 68.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.694 0.621 . . . . 0.3 109.672 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -45.16 57.97 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.816 -0.809 . . . . 2.95 108.816 -177.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.792 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 99.2 t -65.51 -47.43 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.737 -0.838 . . . . 0.51 108.737 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -46.84 -59.54 3.0 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.793 -1.099 . . . . 2.38 111.45 170.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -48.6 -43.81 36.45 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.704 1.138 . . . . 0.55 110.318 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -59.28 -48.81 80.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.377 0.671 . . . . 0.35 112.467 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD12 HG12 ' A' ' 56' ' ' VAL . 52.2 mt -71.31 -38.66 71.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.166 0.986 . . . . 1.01 110.286 -175.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -58.07 7.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.405 -0.816 . . . . 2.66 110.522 166.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -60.89 -35.3 76.29 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.998 1.272 . . . . 5.13 111.609 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -20.51 66.38 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.926 0.49 . . . . 0.65 111.801 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.68 37.71 3.89 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.413 1.006 . . . . 0.6 111.541 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -127.6 122.96 34.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.626 0.713 . . . . 2.12 109.177 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m -81.39 114.31 20.07 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.976 -1.49 . . . . 2.0 106.976 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.559 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.1 pp -110.52 -179.61 3.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.311 0.644 . . . . 0.81 110.979 173.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.61 128.63 37.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.003 -2.221 . . . . 3.23 105.003 163.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 115.65 5.27 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 125.486 1.515 . . . . 3.67 107.372 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.418 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 6.5 mm-40 -90.88 165.21 13.72 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 123.11 1.433 . . . . 2.78 112.373 174.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 CA--C 1.537 0.443 0 CA-C-N 113.25 -1.795 . . . . 5.79 110.889 175.702 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 108.665 -0.865 . . . . 0.92 108.665 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -99.14 113.51 25.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.362 -1.29 . . . . 5.62 109.587 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.622 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.6 m-85 -98.1 141.63 30.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.784 1.234 . . . . 2.05 112.076 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 4.7 m -123.38 151.57 42.43 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 123.607 0.763 . . . . 2.08 110.506 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.792 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -140.31 159.22 42.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 1.1 109.506 171.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 21.7 mtpt -110.66 120.19 41.6 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.379 -2.082 . . . . 1.87 105.379 172.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.38 160.06 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.311 1.044 . . . . 1.09 109.357 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.74 113.81 15.19 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.636 -1.246 . . . . 0.88 107.636 166.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -26.19 2.97 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.543 2.021 . . . . 0.89 112.628 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.36 77.23 8.26 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.184 -1.186 . . . . 2.05 112.288 -168.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -142.56 69.13 1.31 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.786 0.803 . . . . 3.44 110.669 166.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -162.96 149.57 12.6 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.804 -0.56 . . . . 2.29 111.104 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 63.71 3.0 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.565 0.95 . . . . 2.92 113.565 -169.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.6 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 127.172 2.189 . . . . 0.85 109.383 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -68.22 -31.71 71.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.879 -0.786 . . . . 2.68 108.879 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -56.48 -47.02 80.12 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.502 -0.479 . . . . 0.49 111.249 172.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 41.2 mtt85 -63.58 -53.24 54.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.45 -0.945 . . . . 3.41 108.45 178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.04 -37.75 54.64 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.446 -0.784 . . . . 4.15 111.991 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.51 -61.87 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.286 0.634 . . . . 0.59 110.873 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.4 pt-20 -61.67 -41.44 97.55 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 119.461 1.028 . . . . 1.77 108.444 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -62.85 -34.86 78.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.405 1.082 . . . . 0.54 110.745 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -56.8 -24.76 53.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.442 0.565 . . . . 0.46 112.225 168.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.578 HG12 HG21 ' A' ' 32' ' ' VAL . 4.0 t -95.07 -44.78 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.642 1.177 . . . . 1.67 111.141 177.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -61.36 -29.87 70.17 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.376 -1.452 . . . . 2.89 110.18 -173.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.62 -12.21 21.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.978 1.103 . . . . 0.52 113.978 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -71.87 -119.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.165 0.893 . . . . 0.45 109.276 176.29 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.21 -48.91 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.498 -0.751 . . . . 0.3 109.36 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.88 -20.62 79.74 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 115.662 -0.699 . . . . 0.46 112.407 -176.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 HG12 ' A' ' 26' ' ' VAL . 69.5 t -62.85 134.21 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.083 -0.71 . . . . 0.44 109.083 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.84 21.37 1.97 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.557 0.577 . . . . 2.34 112.557 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -178.99 143.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.821 2.048 . . . . 1.39 106.008 174.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.38 138.46 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.056 1.342 . . . . 2.72 108.398 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 5.1 mt-30 -131.82 87.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.577 1.151 . . . . 1.83 108.663 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.19 109.71 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.068 1.347 . . . . 1.71 107.524 173.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.8 tp -112.33 116.17 29.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.933 0.893 . . . . 0.5 109.141 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 26.6 m-85 -62.37 167.61 4.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.198 0.599 . . . . 2.66 111.669 170.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.33 -50.43 0.55 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 127.04 2.136 . . . . 1.19 112.643 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -71.7 -26.11 62.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.45 -0.781 . . . . 0.98 109.429 171.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 57.54 38.62 28.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 122.678 1.227 . . . . 4.23 108.993 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.77 128.08 54.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 106.409 -1.7 . . . . 1.37 106.409 -171.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -99.98 139.07 36.18 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 107.971 -1.122 . . . . 1.11 107.971 -178.228 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 9.4 t -130.13 147.86 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 O-C-N 124.412 1.07 . . . . 0.68 110.237 160.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.1 t -138.56 120.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.945 1.698 . . . . 0.37 106.635 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.35 113.36 26.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.45 -1.685 . . . . 2.26 106.45 175.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.26 140.09 35.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.238 0.615 . . . . 0.49 109.422 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 58.01 4.81 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.385 -0.598 . . . . 1.9 109.385 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.21 151.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.313 2.245 . . . . 1.77 109.009 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.425 ' OD2' ' NH1' ' A' ' 53' ' ' ARG . 14.3 t0 -70.67 125.08 25.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.562 -0.903 . . . . 3.3 108.562 169.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.8 27.19 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.547 -0.909 . . . . 0.53 108.547 169.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 49.6 mtm-85 -63.59 -43.76 96.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 121.149 -0.97 . . . . 2.49 111.2 -169.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -32.43 68.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.694 0.621 . . . . 0.3 109.672 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -45.16 57.97 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.816 -0.809 . . . . 2.95 108.816 -177.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.792 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 99.2 t -65.51 -47.43 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.737 -0.838 . . . . 0.51 108.737 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -46.84 -59.54 3.0 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.793 -1.099 . . . . 2.38 111.45 170.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -48.6 -43.81 36.45 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.704 1.138 . . . . 0.55 110.318 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -59.28 -48.81 80.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.377 0.671 . . . . 0.35 112.467 177.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD12 HG12 ' A' ' 56' ' ' VAL . 52.2 mt -71.31 -38.66 71.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.166 0.986 . . . . 1.01 110.286 -175.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -58.07 7.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.405 -0.816 . . . . 2.66 110.522 166.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -60.89 -35.3 76.29 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.998 1.272 . . . . 5.13 111.609 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -20.51 66.38 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.926 0.49 . . . . 0.65 111.801 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.68 37.71 3.89 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.413 1.006 . . . . 0.6 111.541 172.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -127.6 122.96 34.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.626 0.713 . . . . 2.12 109.177 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m -81.39 114.31 20.07 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.976 -1.49 . . . . 2.0 106.976 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.559 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.1 pp -110.52 -179.61 3.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.311 0.644 . . . . 0.81 110.979 173.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.61 128.63 37.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.003 -2.221 . . . . 3.23 105.003 163.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 115.65 5.27 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 125.486 1.515 . . . . 3.67 107.372 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.418 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 6.5 mm-40 -90.88 165.21 13.72 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 123.11 1.433 . . . . 2.78 112.373 174.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 . . . . . 0 CA--C 1.537 0.443 0 CA-C-N 113.25 -1.795 . . . . 5.79 110.889 175.702 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 109.573 -0.528 . . . . 0.91 109.573 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.24 112.25 24.3 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.383 -1.28 . . . . 4.73 107.871 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.726 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 34.0 m-85 -103.78 128.64 51.17 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.627 0.603 . . . . 1.83 112.627 169.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.454 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 5.6 m -108.79 149.15 29.47 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.114 0.884 . . . . 2.12 110.213 175.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.867 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -135.3 167.24 21.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.164 0.586 . . . . 1.09 111.338 166.821 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -117.88 105.92 12.43 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 126.6 1.96 . . . . 2.89 106.227 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.6 HG21 HD23 ' A' ' 44' ' ' LEU . 11.8 t -108.2 144.49 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 119.704 1.138 . . . . 0.98 108.534 -170.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.9 99.25 5.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.177 -1.046 . . . . 0.9 108.177 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.5 -34.9 0.82 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 123.483 0.563 . . . . 0.76 111.698 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.6 ptm -69.79 95.71 0.92 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 122.326 -0.514 . . . . 2.07 111.518 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -148.91 82.68 1.45 Allowed 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.908 -0.495 . . . . 2.74 109.798 163.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -155.16 -95.57 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.092 0.557 . . . . 2.16 110.577 174.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.82 -58.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.206 1.403 . . . . 2.15 108.345 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.75 -33.99 50.87 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.787 -0.642 . . . . 0.93 110.831 171.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 m -72.26 -41.44 66.73 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.423 -0.954 . . . . 1.78 108.423 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -59.7 -44.02 93.85 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.216 -0.291 . . . . 0.5 110.216 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -60.51 -55.08 37.71 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 118.589 -1.244 . . . . 3.05 109.719 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -49.11 -39.59 28.95 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.544 -0.722 . . . . 3.54 112.409 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.492 HG13 HD21 ' A' ' 60' ' ' LEU . 54.1 t -56.53 -62.7 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 118.862 0.755 . . . . 0.48 109.944 170.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.54 -46.45 88.85 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.237 -1.394 . . . . 1.96 107.237 -168.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -61.55 -36.96 82.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.677 1.191 . . . . 0.56 110.342 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -22.13 42.54 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.676 0.621 . . . . 0.4 112.676 170.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.639 HG12 HG21 ' A' ' 32' ' ' VAL . 11.8 t -95.75 -44.9 13.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.624 1.17 . . . . 1.65 110.81 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -61.32 -30.77 70.71 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 119.906 -1.746 . . . . 2.36 110.69 -173.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -61.92 -14.61 36.09 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 114.126 1.158 . . . . 0.48 114.126 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 26' ' ' VAL . 1.2 mt -66.33 -109.22 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.279 0.945 . . . . 0.49 110.303 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 176.67 -49.85 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.29 1.436 . . . . 0.43 108.642 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.74 -6.65 78.33 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.457 -0.792 . . . . 0.68 113.378 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.639 HG21 HG12 ' A' ' 26' ' ' VAL . 43.1 t -75.45 143.97 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 124.72 1.208 . . . . 0.52 109.16 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -114.32 -43.81 3.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 O-C-N 123.166 0.291 . . . . 2.71 110.348 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -161.93 145.22 12.04 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.114 -1.439 . . . . 1.33 107.114 -172.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.8 m -139.13 149.06 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.755 -1.202 . . . . 2.19 107.755 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -139.16 99.03 3.65 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.016 1.389 . . . . 1.81 109.631 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 m -90.18 122.53 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 127.37 2.268 . . . . 1.46 106.717 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 tp -128.04 113.79 16.25 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.946 -1.131 . . . . 0.46 107.946 -175.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 35.2 m-85 -67.4 164.21 19.13 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 123.97 0.794 . . . . 2.78 111.686 173.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 74.97 -48.3 0.64 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 128.259 2.624 . . . . 1.36 110.134 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -24.65 67.92 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.929 0.492 . . . . 1.05 110.171 162.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 50.37 31.45 5.38 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 125.239 1.416 . . . . 3.8 111.54 -178.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 131.36 54.48 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.561 -1.2 . . . . 2.83 108.567 -172.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.6 HD23 HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -96.94 133.73 41.2 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 104.413 -2.44 . . . . 1.81 104.413 -178.301 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 t -132.62 132.85 59.87 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 O-C-N 124.26 0.975 . . . . 0.75 110.194 163.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.8 t -130.2 118.25 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 C-N-CA 125.923 1.689 . . . . 0.37 106.995 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.14 112.35 24.35 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.219 -1.4 . . . . 2.19 107.219 173.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.79 131.77 15.24 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 114.776 -1.102 . . . . 0.66 108.877 -169.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.68 56.24 2.63 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.834 -0.802 . . . . 2.28 108.834 -168.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 165.69 150.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.487 1.515 . . . . 1.93 109.391 -172.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -73.96 103.47 4.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.849 1.66 . . . . 4.36 110.817 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.85 26.31 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.808 0.843 . . . . 0.53 111.024 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -67.57 -49.63 62.25 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 120.835 -1.166 . . . . 3.78 111.225 -170.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.31 -32.12 62.21 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 124.299 0.999 . . . . 0.28 109.099 172.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -46.76 63.28 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 108.067 -1.086 . . . . 2.6 108.067 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.867 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 42.9 t -65.84 -50.26 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 CA-C-N 115.74 -0.664 . . . . 0.4 109.418 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -44.16 -54.61 5.46 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 117.907 -1.044 . . . . 2.6 112.331 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -53.37 -44.35 68.52 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.966 1.257 . . . . 0.6 110.507 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.04 88.75 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.202 0.601 . . . . 0.43 112.018 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.743 HD12 HG12 ' A' ' 56' ' ' VAL . 3.7 mt -64.49 -44.06 92.17 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.722 -0.844 . . . . 1.11 108.722 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -56.17 13.65 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.279 -0.873 . . . . 2.95 110.183 174.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -60.98 -48.58 81.17 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.177 0.436 . . . . 5.98 112.177 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.79 -36.33 58.12 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.907 0.883 . . . . 0.78 110.999 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.91 50.91 0.19 Allowed Glycine 0 C--N 1.336 0.576 0 N-CA-C 111.113 -0.795 . . . . 0.68 111.113 164.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -134.24 145.42 49.12 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 117.293 0.546 . . . . 2.11 110.037 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.4 m -94.12 123.51 37.55 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.119 -1.437 . . . . 1.46 107.119 170.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.607 ' CD2' HD13 ' A' ' 60' ' ' LEU . 3.1 pp -135.17 175.16 9.83 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.002 -0.74 . . . . 0.82 109.002 168.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -137.22 138.01 39.7 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 103.555 -2.758 . . . . 3.49 103.555 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -54.42 100.58 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 122.936 1.35 . . . . 3.15 110.807 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -82.55 174.21 11.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.528 -1.286 . . . . 2.27 107.528 -178.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? . . . . . 0 CA--C 1.54 0.584 0 O-C-N 120.467 -1.396 . . . . 4.09 112.897 174.861 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 108.578 -0.897 . . . . 0.93 108.578 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -97.6 124.78 42.01 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 107.356 -1.35 . . . . 4.56 107.356 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.446 ' HB3' ' HZ2' ' A' ' 8' ' ' TRP . 49.8 m-85 -129.45 142.11 50.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 118.294 -0.86 . . . . 2.43 112.181 176.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t -123.57 160.15 27.67 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.377 1.621 . . . . 2.46 115.377 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.635 ' CD1' HD13 ' A' ' 67' ' ' LEU . 5.7 m-90 -140.86 147.24 38.64 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 126.012 1.725 . . . . 2.4 109.638 172.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.02 97.44 8.59 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 107.481 -1.303 . . . . 3.06 107.481 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.866 HG21 HD23 ' A' ' 44' ' ' LEU . 3.6 t -96.46 100.12 10.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.76 0.791 . . . . 1.96 109.69 -163.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -100.14 92.58 5.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 105.618 -1.993 . . . . 0.91 105.618 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.56 -36.28 0.47 Allowed Glycine 0 CA--C 1.525 0.658 0 CA-C-N 114.796 -1.093 . . . . 1.01 110.597 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.47 101.66 3.01 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.087 -1.045 . . . . 2.0 112.282 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 26.1 t0 -139.21 93.62 2.71 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.192 -0.299 . . . . 3.09 110.192 162.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 168.02 145.43 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 126.268 1.827 . . . . 2.39 108.817 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 51.49 0.49 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.821 1.248 . . . . 2.43 111.798 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.34 -50.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 126.483 1.913 . . . . 1.13 107.825 -169.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.4 m -67.64 -37.19 82.1 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 107.578 -1.267 . . . . 2.37 107.578 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.73 -50.71 43.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.009 -0.542 . . . . 1.01 111.078 166.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -62.01 -42.07 98.75 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 120.862 -1.149 . . . . 3.29 110.932 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -45.95 -42.03 12.39 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.154 -0.966 . . . . 2.9 112.241 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.031 HG11 HD21 ' A' ' 44' ' ' LEU . 46.0 t -58.47 -64.55 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 118.375 0.534 . . . . 0.48 110.208 175.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -58.87 -43.69 90.92 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 106.97 -1.493 . . . . 2.28 106.97 -166.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -62.07 -42.44 99.2 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 123.97 0.908 . . . . 0.81 110.639 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.05 66.21 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.334 0.515 . . . . 0.58 112.318 172.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.439 HG12 HG11 ' A' ' 32' ' ' VAL . 67.3 t -80.87 -42.08 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.598 0.759 . . . . 1.75 109.857 173.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -66.24 -38.63 88.35 Favored 'General case' 0 N--CA 1.461 0.11 0 O-C-N 120.467 -1.396 . . . . 2.32 111.171 -173.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -57.2 -14.68 4.45 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.48 1.289 . . . . 0.63 114.48 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 mt -65.72 -108.63 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.891 0.876 . . . . 0.86 111.491 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.99 -51.05 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.615 1.166 . . . . 0.39 108.732 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.09 -5.71 87.21 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.449 -0.796 . . . . 0.78 113.661 -173.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.439 HG11 HG12 ' A' ' 26' ' ' VAL . 37.6 t -74.39 146.51 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 118.371 1.085 . . . . 0.38 108.107 174.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.8 -52.13 1.69 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 118.786 -0.626 . . . . 2.46 111.383 171.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -126.94 103.05 7.27 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 119.458 1.026 . . . . 3.36 110.243 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 p -82.75 142.51 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 121.283 -0.885 . . . . 1.38 108.753 171.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.14 107.98 8.98 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.908 1.283 . . . . 2.67 108.183 171.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -98.24 113.93 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 106.633 -1.618 . . . . 1.57 106.633 172.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.6 tp -100.85 82.31 2.39 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 105.607 -1.997 . . . . 0.57 105.607 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 3.4 t80 -69.21 77.75 0.36 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.089 -1.078 . . . . 3.04 108.089 170.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -168.94 -62.15 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 126.991 2.117 . . . . 2.23 105.971 169.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -93.29 48.85 1.34 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.029 1.332 . . . . 1.45 110.106 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 31.49 32.2 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.344 3.058 . . . . 5.48 118.086 172.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -121.57 140.68 51.92 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.047 -1.033 . . . . 1.81 111.701 -165.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.031 HD21 HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -98.47 127.28 44.34 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 104.309 -2.478 . . . . 1.41 104.309 160.335 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 p -123.41 118.13 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.708 -1.219 . . . . 2.11 107.708 155.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.44 120.66 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 C-N-CA 126.861 2.065 . . . . 0.79 109.159 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.47 110.63 23.15 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.15 -1.426 . . . . 2.23 107.15 170.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.36 132.05 39.0 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 114.9 -1.046 . . . . 0.53 109.333 -176.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.8 56.69 3.76 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.403 -0.592 . . . . 2.07 109.403 -178.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 157.53 151.82 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 127.601 2.36 . . . . 1.91 108.331 -174.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -72.3 129.53 38.64 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 108.795 -0.817 . . . . 3.34 108.795 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.456 HD13 HG23 ' A' ' 56' ' ' VAL . 1.7 pp -141.8 21.07 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 109.026 -0.731 . . . . 0.67 109.026 171.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.2 mtm-85 -69.94 -37.16 75.8 Favored 'General case' 0 CA--C 1.495 -1.135 0 C-N-CA 117.36 -1.736 . . . . 3.06 109.698 -169.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.23 -32.9 38.91 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 119.07 0.85 . . . . 0.74 109.527 173.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -50.44 18.58 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.126 -0.694 . . . . 2.5 109.126 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.616 HG11 ' CZ3' ' A' ' 8' ' ' TRP . 13.5 t -62.49 -48.14 89.67 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.51 110.033 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.9 -52.98 63.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.062 1.345 . . . . 3.02 107.611 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.8 m -46.51 -53.16 11.81 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.605 0.638 . . . . 2.15 111.69 170.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.71 96.6 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.912 0.708 . . . . 0.32 112.912 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD21 HG13 ' A' ' 22' ' ' VAL . 61.2 mt -70.02 -43.23 71.77 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.686 1.194 . . . . 1.1 108.455 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.33 -51.79 63.6 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.967 -0.753 . . . . 3.65 108.967 174.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -58.04 -49.48 76.74 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.187 0.195 . . . . 3.82 110.761 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.42 -38.2 68.66 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.036 0.934 . . . . 0.43 110.899 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.31 52.67 0.14 Allowed Glycine 0 C--N 1.335 0.507 0 N-CA-C 110.432 -1.067 . . . . 0.68 110.432 169.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -128.18 173.52 10.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.711 0.804 . . . . 2.05 109.419 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.7 p -130.81 135.01 47.34 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.091 -1.448 . . . . 2.13 107.091 169.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.635 HD13 ' CD1' ' A' ' 8' ' ' TRP . 2.5 pp -156.23 170.16 22.89 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 126.918 2.087 . . . . 0.87 107.919 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -150.17 99.88 2.85 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.249 1.419 . . . . 3.61 107.523 -172.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . 0.341 1.3 p-10 -27.64 103.41 0.02 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 114.505 1.298 . . . . 2.72 114.505 -167.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -80.79 164.47 22.7 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.377 -1.283 . . . . 3.88 108.258 -173.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.442 ' HA ' HE21 ' A' ' 71' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.44 -0.946 0 CA-C-N 113.297 -1.774 . . . . 5.16 109.574 179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 m . . . . . 0 CA--C 1.512 -0.505 0 N-CA-C 109.924 -0.398 . . . . 0.92 109.924 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -95.2 124.69 39.38 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 106.954 -1.499 . . . . 3.28 106.954 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.636 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 12.1 m-85 -105.78 140.99 37.97 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 126.44 1.896 . . . . 1.85 113.507 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.45 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 9.2 m -115.95 145.19 43.13 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.196 0.998 . . . . 2.04 111.088 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.747 ' CZ2' HG11 ' A' ' 56' ' ' VAL . 1.3 m-90 -132.41 164.97 25.35 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.579 1.152 . . . . 1.1 109.52 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.57 110.3 16.28 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 106.68 -1.6 . . . . 2.61 106.68 174.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.3 t -108.07 158.44 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.872 -1.159 . . . . 1.0 107.872 -174.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.8 112.46 7.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 105.423 -2.066 . . . . 1.4 105.423 167.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.31 -13.79 3.01 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-O 119.005 -0.886 . . . . 1.46 113.022 173.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -73.12 35.71 0.08 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.549 1.674 . . . . 2.4 113.319 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.439 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.1 m-20 -99.95 66.8 1.39 Allowed 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 121.499 -0.75 . . . . 5.19 109.224 -152.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -158.34 -75.32 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.71 0.633 . . . . 2.59 112.71 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 157.51 -65.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 127.503 2.321 . . . . 2.08 107.882 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.54 -34.99 62.76 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.936 0.874 . . . . 0.78 110.989 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.4 m -71.48 -30.41 65.95 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.587 0.755 . . . . 1.99 109.883 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.82 92.34 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.222 -0.658 . . . . 0.59 109.222 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 98.7 mtt180 -59.74 -52.94 63.34 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 119.609 -0.837 . . . . 3.11 109.768 170.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -48.83 -39.69 26.45 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.088 -1.007 . . . . 4.08 112.311 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.4 -57.5 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 118.802 0.728 . . . . 0.62 111.87 172.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.498 ' O ' HG22 ' A' ' 26' ' ' VAL . 14.4 pt-20 -63.25 -43.94 96.59 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 108.096 -1.076 . . . . 1.82 108.096 -174.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -65.47 -31.97 73.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 121.169 -0.957 . . . . 0.6 111.055 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.33 -25.15 32.98 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.678 -0.677 . . . . 0.59 111.922 169.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.611 HG12 HG13 ' A' ' 56' ' ' VAL . 7.8 m -103.29 -39.15 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 118.905 0.775 . . . . 1.78 113.054 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -58.73 -27.28 64.76 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.56 -0.713 . . . . 3.71 110.598 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -67.09 -13.03 61.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.618 0.969 . . . . 0.6 113.618 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -72.23 -115.74 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.176 0.99 . . . . 0.62 109.6 -176.228 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.1 -48.92 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 124.441 1.096 . . . . 0.29 108.565 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.52 -14.71 82.18 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 115.543 -0.753 . . . . 0.44 112.992 -175.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.77 130.23 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.871 0.868 . . . . 0.44 109.902 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -98.57 -55.65 2.68 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.138 0.975 . . . . 2.23 108.839 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -153.72 121.45 5.96 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.928 0.491 . . . . 1.8 110.235 -168.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 p -105.66 141.77 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 126.258 1.823 . . . . 1.44 110.615 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -131.62 94.06 3.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.476 1.511 . . . . 1.75 109.697 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 t -90.99 101.13 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 125.526 1.53 . . . . 2.2 108.192 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 tp -97.19 74.81 2.55 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.268 -1.753 . . . . 0.59 106.268 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.7 t80 -61.1 102.44 0.21 Allowed 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.68 -1.6 . . . . 3.44 106.68 167.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 149.79 -37.35 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.282 2.633 . . . . 2.0 109.254 -171.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -118.49 19.25 13.39 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.01 0.524 . . . . 1.21 110.502 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 39.32 36.96 0.23 Allowed 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 127.75 2.42 . . . . 3.46 114.292 177.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.34 128.12 42.47 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.735 -1.209 . . . . 1.3 107.735 -177.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.99 141.27 31.96 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.405 -1.702 . . . . 1.82 106.405 174.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -122.57 142.87 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 118.578 0.626 . . . . 0.73 111.417 161.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.27 117.16 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 106.94 -1.504 . . . . 0.38 106.94 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.57 120.48 38.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 106.974 -1.491 . . . . 2.66 106.974 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.72 149.39 37.09 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.587 1.155 . . . . 0.55 111.36 -169.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -95.9 58.31 1.9 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.975 0.91 . . . . 2.23 110.149 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 161.45 157.65 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 127.161 2.184 . . . . 1.67 107.894 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -78.49 118.76 20.93 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 120.001 1.273 . . . . 3.39 108.892 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 56' ' ' VAL . 2.3 pp -139.18 26.55 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 123.011 0.524 . . . . 0.61 109.743 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -62.02 -48.02 82.15 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 121.563 -0.71 . . . . 2.81 111.006 -173.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.44 -30.54 60.69 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 123.885 0.74 . . . . 0.41 110.042 174.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -78.83 -40.9 31.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.007 -0.738 . . . . 2.11 109.007 -175.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.747 HG11 ' CZ2' ' A' ' 8' ' ' TRP . 78.0 t -64.7 -47.99 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 109.397 -0.594 . . . . 0.49 109.397 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -46.0 -62.19 1.43 Allowed 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 118.162 -0.923 . . . . 2.23 109.965 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -48.1 -46.24 33.68 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.652 0.66 . . . . 0.53 110.086 -175.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -49.32 78.21 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.978 0.732 . . . . 0.33 112.978 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.629 HD12 HG12 ' A' ' 56' ' ' VAL . 9.3 mt -67.6 -44.66 77.55 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.705 0.802 . . . . 1.02 110.246 -176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -49.87 70.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.492 -0.776 . . . . 2.23 109.451 174.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -62.09 -41.55 98.31 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.329 -0.232 . . . . 3.84 111.357 176.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.95 76.29 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.628 0.771 . . . . 0.52 110.587 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.31 54.89 0.19 Allowed Glycine 0 C--N 1.336 0.555 0 C-N-CA 124.224 0.916 . . . . 0.56 110.931 168.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -136.95 164.01 29.35 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.738 -0.838 . . . . 1.81 108.738 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.4 m -109.22 124.83 51.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.496 -1.668 . . . . 1.52 106.496 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.545 HD12 ' C ' ' A' ' 67' ' ' LEU . 3.4 pp -135.66 176.96 8.2 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.18 -1.045 . . . . 0.79 108.18 168.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -136.15 129.04 31.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.758 -2.312 . . . . 4.39 104.758 168.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.84 112.24 0.74 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 123.936 0.894 . . . . 4.18 109.106 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.437 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 1.4 tm-20 -83.95 -174.73 5.45 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.829 -1.078 . . . . 2.58 109.492 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 122.041 0.925 . . . . 4.41 109.248 171.434 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 121.473 0.654 . . . . 1.15 109.269 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -99.37 144.29 28.65 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.942 1.297 . . . . 6.68 107.991 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.647 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 29.8 m-85 -132.56 125.47 30.59 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.65 1.18 . . . . 1.99 108.75 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.404 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 70.9 m -99.89 156.78 16.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.091 0.956 . . . . 1.96 109.289 172.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.647 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 5.6 m-90 -140.04 160.82 39.07 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.535 1.534 . . . . 1.11 108.49 167.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -114.7 123.38 49.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 105.954 -1.869 . . . . 2.3 105.954 167.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 t -109.04 174.72 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 125.379 1.472 . . . . 1.23 109.562 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.31 109.45 4.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.315 1.046 . . . . 0.99 109.152 169.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.3 -37.44 1.39 Allowed Glycine 0 CA--C 1.531 1.052 0 CA-C-N 119.271 0.941 . . . . 0.98 113.24 167.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ptm -69.3 86.85 0.42 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.232 1.013 . . . . 2.16 111.253 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -136.7 71.79 1.42 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.463 1.028 . . . . 2.76 111.781 172.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 m -147.52 -94.99 0.08 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.959 0.904 . . . . 2.35 110.754 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.8 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.342 0.264 0 C-N-CA 124.988 1.315 . . . . 2.03 109.41 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -27.29 68.03 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.785 -0.572 . . . . 0.92 111.669 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -75.48 -38.0 59.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.858 0.863 . . . . 2.86 109.19 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.611 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.33 -38.79 84.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.165 -0.68 . . . . 0.48 109.165 174.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 53.9 mtt85 -58.37 -51.14 71.07 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 118.999 -1.08 . . . . 2.72 111.097 171.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -52.84 -40.06 63.05 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.304 -1.498 . . . . 2.89 112.751 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.424 ' CG1' HD21 ' A' ' 44' ' ' LEU . 79.7 t -57.76 -55.69 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.728 0.811 . . . . 0.7 111.34 173.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 26' ' ' VAL . 16.6 pt-20 -67.44 -45.89 74.71 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.403 -0.962 . . . . 1.88 108.403 -174.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -64.24 -31.21 72.32 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.777 -1.202 . . . . 0.61 110.558 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.54 -24.27 60.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.272 -0.87 . . . . 0.49 112.978 169.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.477 HG12 HG13 ' A' ' 56' ' ' VAL . 33.6 m -99.21 -39.48 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 119.655 1.116 . . . . 1.8 111.7 174.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -60.27 -25.49 65.75 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.353 -0.842 . . . . 3.66 110.72 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -71.37 -13.58 61.91 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.045 0.938 . . . . 0.54 113.286 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -122.04 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.956 -0.757 . . . . 0.58 108.956 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.98 -47.85 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 108.584 -0.895 . . . . 0.31 108.584 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.61 -13.92 83.0 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 115.517 -0.765 . . . . 0.41 112.836 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.3 t -57.22 136.29 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.567 0.747 . . . . 0.41 110.554 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -106.03 -53.28 2.66 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 106.618 -1.623 . . . . 2.41 106.618 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.69 170.62 19.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.876 -0.786 . . . . 2.16 108.876 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.77 142.91 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 124.596 1.158 . . . . 1.56 109.641 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -132.87 94.47 3.39 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.844 1.658 . . . . 1.84 108.971 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.425 HG12 HD21 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -91.37 119.75 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 106.497 -1.668 . . . . 1.73 106.497 168.591 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.9 tp -121.0 114.21 21.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.632 -0.877 . . . . 0.54 108.632 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 25.3 m-85 -60.09 160.39 8.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.188 0.995 . . . . 2.57 111.858 172.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.61 -45.2 0.61 Allowed 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.744 2.018 . . . . 1.53 112.012 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 m -68.51 -27.19 65.9 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.901 -0.777 . . . . 1.29 108.901 165.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.93 42.02 31.83 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.494 1.118 . . . . 4.42 108.84 -176.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.7 134.03 51.27 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 104.274 -2.491 . . . . 1.45 104.274 -174.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -105.15 135.61 46.18 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 125.184 1.553 . . . . 1.24 108.683 164.58 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -123.68 142.9 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 O-C-N 124.384 1.053 . . . . 0.66 108.742 158.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.45 HG21 HG11 ' A' ' 26' ' ' VAL . 60.6 t -135.4 124.85 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 N-CA-C 105.556 -2.016 . . . . 0.4 105.556 175.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.26 121.95 44.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 105.555 -2.017 . . . . 2.4 105.555 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.74 139.03 29.23 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.614 0.571 . . . . 0.54 111.537 -171.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -80.59 58.51 3.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.835 0.854 . . . . 2.32 109.589 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 158.91 154.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 127.486 2.314 . . . . 1.75 109.531 175.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -71.9 117.43 13.49 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.867 1.267 . . . . 4.14 109.392 171.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 pp -144.2 24.15 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.938 -0.476 . . . . 0.67 110.378 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -60.32 -45.69 92.52 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 121.422 -0.799 . . . . 2.49 111.389 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.78 65.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.697 0.623 . . . . 0.28 110.074 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -79.28 -38.61 34.97 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.617 -0.512 . . . . 2.24 109.617 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.625 HG11 ' CZ2' ' A' ' 8' ' ' TRP . 91.4 t -64.2 -53.69 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 119.171 -1.012 . . . . 0.56 108.406 171.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -44.45 -58.16 3.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 118.013 -0.994 . . . . 2.43 111.508 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -47.0 -45.83 21.33 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.028 0.831 . . . . 0.54 110.835 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.21 73.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.1 -0.375 . . . . 0.26 111.988 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.86 -45.35 94.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.937 1.295 . . . . 2.47 110.423 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -53.38 51.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.328 -0.851 . . . . 2.44 109.182 174.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -62.12 -41.43 98.24 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.633 0.235 . . . . 4.08 111.633 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.93 -30.97 69.41 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 124.46 1.104 . . . . 0.6 110.611 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.28 45.02 0.5 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 111.173 -0.771 . . . . 0.51 111.173 164.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -137.29 145.69 43.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.695 -1.224 . . . . 2.27 107.695 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 p -87.52 134.39 33.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.097 -1.816 . . . . 1.5 106.097 166.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.6 pp -128.86 175.56 8.54 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.076 -0.713 . . . . 0.95 109.076 166.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -127.53 131.78 50.02 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 105.37 -2.085 . . . . 3.03 105.37 167.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -69.87 135.1 49.18 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.376 -1.342 . . . . 2.37 107.376 174.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.32 169.31 9.44 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.292 -1.776 . . . . 3.0 110.41 -175.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.285 0 C-N-CA 124.312 1.045 . . . . 4.11 108.718 168.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.446 0.641 . . . . 1.44 109.999 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.55 125.7 51.34 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 113.764 -1.562 . . . . 3.87 108.104 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.588 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.8 m-85 -102.91 133.89 47.25 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 128.191 2.596 . . . . 2.4 111.05 171.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.433 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 51.8 p -116.04 154.6 29.61 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.731 0.812 . . . . 2.14 111.424 174.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.784 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -140.21 157.88 44.9 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.879 0.871 . . . . 1.09 109.577 170.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 3.0 mppt? -106.78 119.57 39.68 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 105.715 -1.957 . . . . 2.16 105.715 166.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 t -107.57 177.7 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 125.236 1.414 . . . . 1.58 107.827 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.65 117.26 4.68 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.388 -2.078 . . . . 1.18 105.388 163.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.55 -10.68 4.33 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 115.554 0.982 . . . . 1.0 115.554 167.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -75.29 57.95 0.92 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.575 1.687 . . . . 2.14 113.208 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.426 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 12.7 m-20 -90.47 69.38 6.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.765 -0.585 . . . . 4.63 112.447 -171.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.38 142.56 0.34 Allowed 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 121.61 -0.681 . . . . 2.58 110.944 166.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.42 -49.43 74.55 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.425 0.631 . . . . 2.17 110.562 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.61 -15.39 51.28 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.806 0.669 . . . . 1.91 112.806 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -97.64 -29.56 13.34 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.17 0.988 . . . . 2.7 110.778 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.94 -39.99 63.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.308 -0.627 . . . . 0.52 109.308 167.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HA ' ' HG2' ' A' ' 23' ' ' GLU 0.255 1.7 mpt_? -57.36 -45.45 84.37 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.058 -1.057 . . . . 3.09 112.674 170.03 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -40.74 73.31 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.084 -1.635 . . . . 4.23 111.064 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.1 t -59.15 -57.65 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.359 0.664 . . . . 0.73 110.647 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 18.4 pt-20 -64.59 -42.79 95.35 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 108.386 -0.968 . . . . 2.07 108.386 -173.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -67.47 -35.28 78.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.55 0.74 . . . . 0.65 109.666 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.69 -19.29 15.78 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.507 0.558 . . . . 0.45 112.507 169.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.597 HG22 HG13 ' A' ' 56' ' ' VAL . 45.6 t -97.73 -43.37 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.348 1.059 . . . . 1.76 110.276 172.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 mtm-85 -60.5 -25.01 65.76 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 120.125 -1.61 . . . . 2.88 111.702 -176.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.99 -12.57 55.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.938 0.895 . . . . 0.57 113.2 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -118.28 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.164 0.986 . . . . 0.76 109.074 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.78 -48.58 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 124.388 1.075 . . . . 0.38 108.771 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.11 -22.76 78.71 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.354 -0.839 . . . . 0.55 112.837 -176.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.552 HG21 HG12 ' A' ' 26' ' ' VAL . 53.4 t -56.09 140.13 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 122.02 -0.694 . . . . 0.45 110.774 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -108.96 -46.13 3.67 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.624 -0.51 . . . . 2.46 109.624 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -160.49 149.26 16.86 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 106.403 -1.703 . . . . 1.36 106.403 -172.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.6 m -142.46 150.61 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 O-C-N 121.422 -0.799 . . . . 2.23 109.324 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -142.81 98.16 3.23 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 122.523 1.154 . . . . 1.77 110.079 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -91.0 122.46 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 127.286 2.235 . . . . 1.54 105.947 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 tp -110.2 77.08 1.02 Allowed 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 106.236 -1.764 . . . . 0.6 106.236 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.0 t80 -63.94 89.49 0.05 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.203 -1.406 . . . . 3.48 107.203 168.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.03 -41.86 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 129.179 2.992 . . . . 1.99 107.932 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -108.72 16.59 22.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.774 0.829 . . . . 1.25 110.971 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 43.93 38.89 2.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.134 1.774 . . . . 4.17 113.06 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.34 127.95 36.62 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.068 -1.086 . . . . 1.54 108.068 -171.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -105.21 140.26 38.62 Favored 'General case' 0 N--CA 1.423 -1.819 0 C-N-CA 124.694 1.198 . . . . 1.09 108.77 178.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.47 140.19 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 O-C-N 124.602 1.188 . . . . 0.74 110.668 167.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.4 t -129.47 130.12 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 C-N-CA 126.079 1.752 . . . . 0.4 106.524 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -109.51 115.13 29.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.584 -1.635 . . . . 2.73 106.584 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.425 ' HB2' ' HA ' ' A' ' 32' ' ' VAL . . . -153.1 150.14 28.82 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.587 0.755 . . . . 0.64 109.704 -172.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.99 55.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.79 0.805 . . . . 2.44 108.87 -167.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -169.58 -35.08 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.846 1.054 . . . . 2.79 113.846 -177.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 t0 79.85 124.48 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 127.786 2.434 . . . . 3.51 109.086 -170.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 56' ' ' VAL . 1.5 pp -146.44 34.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 125.2 1.4 . . . . 0.64 107.742 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.4 mtm-85 -61.7 -45.54 93.55 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.321 -0.862 . . . . 2.45 111.466 -171.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.59 -33.45 68.2 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 123.567 0.542 . . . . 0.29 110.175 175.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -46.57 52.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.936 -0.764 . . . . 3.19 108.936 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.784 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.0 t -64.72 -47.77 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 N-CA-C 108.46 -0.941 . . . . 0.36 108.46 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.411 ' HA ' HD21 ' A' ' 67' ' ' LEU . 78.9 tt0 -46.31 -61.51 1.76 Allowed 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 117.349 -1.31 . . . . 2.4 110.004 170.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.5 t -45.97 -46.72 16.5 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.95 1.25 . . . . 0.59 110.736 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.45 77.57 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.579 0.585 . . . . 0.29 112.579 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.403 HD12 HG12 ' A' ' 56' ' ' VAL . 81.7 mt -69.08 -40.56 78.38 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.277 1.031 . . . . 1.03 111.677 -176.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -49.86 -51.4 40.57 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.702 1.201 . . . . 2.96 107.843 169.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -64.27 -43.28 95.31 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 122.208 -0.308 . . . . 4.29 111.71 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.34 -35.53 62.83 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.797 0.839 . . . . 0.75 110.643 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.21 44.59 0.61 Allowed Glycine 0 C--N 1.334 0.433 0 N-CA-C 111.071 -0.812 . . . . 0.86 111.071 165.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.67 136.79 44.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.836 -1.172 . . . . 2.48 107.836 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.7 m -83.26 118.38 23.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.6 -1.259 . . . . 1.86 107.6 173.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.505 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.6 pp -109.83 175.25 5.51 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.464 0.477 . . . . 0.86 111.346 169.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -128.68 135.83 49.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 105.342 -2.096 . . . . 3.42 105.342 163.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -72.81 120.24 18.16 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 106.863 -1.532 . . . . 2.97 106.863 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.482 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 2.5 mm-40 -88.8 177.68 6.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 122.326 1.06 . . . . 2.85 111.825 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? . . . . . 0 N--CA 1.445 -0.686 0 CA-C-N 113.788 -1.551 . . . . 4.37 110.966 165.106 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 121.609 0.718 . . . . 1.64 109.848 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -141.3 166.87 23.58 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.0 -1.0 . . . . 4.14 110.11 170.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.576 ' HB3' ' HZ2' ' A' ' 8' ' ' TRP . 54.4 m-85 -143.18 152.26 41.58 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 127.001 2.12 . . . . 1.88 111.089 -170.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -114.95 161.66 18.0 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.125 1.528 . . . . 2.39 115.125 174.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.611 ' HZ3' HG11 ' A' ' 56' ' ' VAL . 7.5 m-90 -140.69 151.67 44.72 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.683 1.993 . . . . 2.51 109.834 169.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.16 101.26 11.0 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.377 1.471 . . . . 2.08 107.877 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -101.1 117.63 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 118.79 0.723 . . . . 1.33 109.383 -163.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -103.48 95.61 6.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 107.389 -1.337 . . . . 1.03 107.389 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.12 -38.39 0.97 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.843 -0.503 . . . . 0.79 111.843 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -69.46 101.89 1.67 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 117.492 0.646 . . . . 2.2 111.05 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -152.93 73.02 0.98 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.059 0.944 . . . . 3.18 110.301 162.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -171.43 146.18 2.22 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.33 -0.856 . . . . 2.59 112.651 172.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.78 65.38 0.71 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.346 1.458 . . . . 2.9 112.219 -175.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.81 -52.84 0.01 OUTLIER 'General case' 0 C--O 1.234 0.271 0 C-N-CA 127.463 2.305 . . . . 0.87 106.881 -173.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.3 m -63.83 -38.18 90.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.963 -1.125 . . . . 1.89 107.963 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.799 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -50.5 -47.47 57.31 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 123.505 0.503 . . . . 0.72 110.914 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.403 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -68.7 -47.27 66.82 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 119.446 -0.902 . . . . 2.59 109.38 178.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -48.24 -42.41 30.33 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.855 0.752 . . . . 3.06 112.034 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.456 ' CG1' HD21 ' A' ' 44' ' ' LEU . 55.8 t -57.04 -61.58 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 123.659 0.783 . . . . 0.57 110.331 174.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.2 pt-20 -61.69 -44.79 96.26 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.495 -1.298 . . . . 2.14 107.495 -171.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -60.92 -39.4 89.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.183 0.993 . . . . 0.66 109.733 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.18 -20.72 43.29 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.907 0.706 . . . . 0.39 112.907 172.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.6 t -95.61 -45.77 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 125.233 1.413 . . . . 1.61 108.949 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -61.56 -30.17 70.49 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 119.732 -1.855 . . . . 2.32 111.088 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -60.86 -14.38 21.66 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.5 0.926 . . . . 0.97 113.5 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -118.63 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.641 0.655 . . . . 0.59 110.11 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.46 -49.29 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 123.911 0.884 . . . . 0.4 109.285 -174.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.84 -15.48 75.17 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 115.801 -0.636 . . . . 0.47 112.742 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -51.68 136.04 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.293 0.637 . . . . 0.62 109.47 164.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -117.43 -45.99 2.7 Favored 'General case' 0 N--CA 1.458 -0.045 0 C-N-CA 123.179 0.592 . . . . 3.26 109.606 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -139.02 162.83 33.96 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.625 1.17 . . . . 1.63 107.944 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -154.46 132.23 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 108.36 -0.978 . . . . 1.48 108.36 -173.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.64 105.2 8.31 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.989 1.316 . . . . 4.69 109.31 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.6 118.57 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 C-N-CA 126.453 1.901 . . . . 1.57 106.211 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.9 tp -124.83 110.38 14.22 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.053 -1.091 . . . . 0.43 108.053 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.799 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 23.2 m-85 -68.02 162.88 23.54 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.51 0.671 . . . . 3.0 112.339 175.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 75.97 -41.38 0.43 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.565 2.746 . . . . 1.28 110.734 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.8 m -75.27 -17.77 60.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.837 0.855 . . . . 0.97 110.588 169.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 49.26 39.04 14.93 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.996 1.318 . . . . 3.67 112.723 -177.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -105.9 137.26 44.1 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.018 -1.105 . . . . 1.61 108.018 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.61 HD12 ' HE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -97.8 132.81 43.08 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 104.703 -2.332 . . . . 1.44 104.703 160.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 p -131.48 134.2 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 119.412 1.005 . . . . 2.07 108.928 154.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 t -129.46 121.87 54.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 107.009 -1.478 . . . . 0.64 107.009 -166.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.27 103.45 13.48 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.673 -1.603 . . . . 2.72 106.673 -175.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -141.6 130.31 22.83 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.77 0.828 . . . . 0.77 109.157 -169.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -86.4 51.54 2.25 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.417 -0.216 . . . . 2.54 110.417 -171.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 168.25 147.17 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.023 -1.103 . . . . 2.63 108.023 -167.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -77.68 113.97 16.07 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.967 -0.753 . . . . 3.76 108.967 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.433 HD13 HG23 ' A' ' 56' ' ' VAL . 1.6 pp -141.22 23.06 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 123.574 0.75 . . . . 0.59 110.891 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' HD2' ' CZ2' ' A' ' 8' ' ' TRP . 13.2 mtm180 -72.34 -27.81 62.65 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 120.964 -1.085 . . . . 2.99 110.63 -172.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.9 -37.19 71.07 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.564 -0.854 . . . . 0.69 109.244 168.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.9 -47.18 26.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.185 -0.672 . . . . 2.75 109.185 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.611 HG11 ' HZ3' ' A' ' 8' ' ' TRP . 40.6 t -62.55 -50.27 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.991 -0.744 . . . . 0.38 108.991 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' HA ' HD11 ' A' ' 67' ' ' LEU 0.28 31.8 tt0 -60.88 -50.61 72.72 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.783 -1.103 . . . . 3.33 109.292 -179.246 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -47.18 -52.18 16.36 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.454 1.025 . . . . 0.57 111.165 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.75 79.43 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.545 0.738 . . . . 0.25 111.818 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.6 mt -64.3 -45.81 86.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.514 1.126 . . . . 1.07 109.806 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -50.6 65.21 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.221 -0.659 . . . . 2.14 109.221 175.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.88 -48.8 80.16 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.792 -0.186 . . . . 3.68 110.799 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.92 69.9 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 124.358 1.063 . . . . 0.52 111.102 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.1 52.85 0.09 OUTLIER Glycine 0 C--N 1.335 0.51 0 N-CA-C 110.976 -0.85 . . . . 0.95 110.976 170.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -132.86 168.69 17.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.735 0.814 . . . . 2.47 109.379 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -131.21 128.48 40.02 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.511 -1.292 . . . . 1.53 107.511 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.496 HD12 ' CD1' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -145.72 174.97 10.74 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.478 1.911 . . . . 1.74 107.981 -179.648 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -148.76 73.75 1.24 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.313 1.045 . . . . 6.62 108.714 -172.421 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 31.43 54.43 0.24 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.814 1.783 . . . . 3.73 115.814 159.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -72.03 168.02 18.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 120.735 -1.228 . . . . 3.06 110.967 -161.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? . . . . . 0 CA--C 1.538 0.514 0 C-N-CA 124.304 1.041 . . . . 4.11 112.973 167.005 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.513 -0.444 0 N-CA-C 108.443 -0.947 . . . . 0.85 108.443 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -98.37 141.24 31.49 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 113.615 -1.629 . . . . 3.48 108.896 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.586 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 9.5 m-85 -125.13 119.28 28.14 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 127.108 2.163 . . . . 2.34 110.065 174.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.424 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 79.7 p -99.62 148.11 24.66 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.98 0.809 . . . . 2.07 110.731 174.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.834 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -136.21 159.16 42.58 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.123 1.369 . . . . 1.1 108.532 164.559 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -110.46 110.64 21.46 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.353 -2.091 . . . . 2.55 105.353 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.504 HG21 HD23 ' A' ' 44' ' ' LEU . 1.6 t -99.77 170.8 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 119.089 0.858 . . . . 1.09 109.284 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.79 113.19 7.28 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.314 -0.995 . . . . 0.89 108.314 169.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.5 -23.78 3.41 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.716 1.627 . . . . 0.96 111.891 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -79.35 82.81 5.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 121.517 -0.99 . . . . 2.24 110.226 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -146.64 61.2 1.21 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.424 0.63 . . . . 3.68 111.447 168.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 m -136.53 -96.66 0.22 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.753 0.821 . . . . 2.32 111.435 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.36 -62.23 0.03 OUTLIER 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.028 0.931 . . . . 2.01 109.276 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.95 -29.54 70.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.628 0.771 . . . . 0.92 111.214 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.8 t -72.36 -45.81 58.21 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.546 -0.909 . . . . 2.86 108.546 -175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -54.86 -45.55 74.58 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.448 -0.342 . . . . 0.61 110.606 176.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 29.6 mtt85 -63.37 -51.32 66.37 Favored 'General case' 0 N--CA 1.432 -1.368 0 C-N-CA 118.754 -1.178 . . . . 4.25 110.0 175.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.94 -46.27 10.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.735 1.152 . . . . 3.29 112.121 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.123 HG11 HD21 ' A' ' 44' ' ' LEU . 56.1 t -57.54 -63.39 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-O 119.294 -0.384 . . . . 0.58 110.414 174.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 12.3 pt-20 -60.33 -36.01 76.98 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 118.727 -1.189 . . . . 2.06 108.111 -170.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -63.12 -40.1 96.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.443 1.497 . . . . 0.74 110.591 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -19.85 27.88 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.899 0.88 . . . . 0.42 112.263 170.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.589 HG22 HG13 ' A' ' 56' ' ' VAL . 60.1 t -98.63 -46.64 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 125.056 1.343 . . . . 1.76 110.389 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -61.55 -30.91 70.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 120.406 -1.433 . . . . 2.64 109.674 -175.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -63.94 -15.35 58.95 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 117.722 -1.132 . . . . 0.49 113.57 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -102.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.457 1.026 . . . . 0.52 110.014 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 173.68 -50.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.439 1.496 . . . . 0.46 108.564 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.71 -24.76 73.75 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.34 -0.846 . . . . 0.67 112.741 -171.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.476 HG11 HG12 ' A' ' 26' ' ' VAL . 54.0 t -51.41 137.6 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.694 0.798 . . . . 0.36 109.889 174.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -99.92 -51.68 3.64 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.497 -1.297 . . . . 2.21 107.497 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -149.1 163.68 36.88 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.29 -1.004 . . . . 1.58 108.29 -170.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -155.44 134.18 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 107.805 -1.183 . . . . 1.57 107.805 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -125.82 102.28 7.23 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.268 1.427 . . . . 2.59 107.738 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 m -94.51 134.43 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 126.932 2.093 . . . . 1.62 105.726 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.7 tp -128.26 118.38 23.19 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.866 0.466 . . . . 0.52 109.965 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 17.7 m-85 -60.7 163.77 5.26 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 125.827 1.651 . . . . 2.5 112.701 171.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.29 -52.4 0.35 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.488 2.315 . . . . 1.4 112.393 -174.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 m -67.56 -27.49 66.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.468 1.107 . . . . 1.1 110.552 173.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.61 38.1 29.74 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.944 1.297 . . . . 4.22 110.264 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.03 129.32 36.36 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.159 -1.052 . . . . 1.39 108.159 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.123 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -102.45 120.09 39.93 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 105.754 -1.943 . . . . 1.64 105.754 167.357 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.8 t -125.93 110.91 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 109.167 -0.679 . . . . 0.79 109.167 168.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.0 t -103.21 135.03 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 C-N-CA 123.722 0.809 . . . . 0.41 109.102 173.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.36 111.69 18.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.822 1.249 . . . . 2.25 108.093 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.578 ' HB3' ' HE2' ' A' ' 6' ' ' TYR . . . -133.38 -179.58 5.6 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.328 1.451 . . . . 1.24 109.585 -175.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.06 51.56 2.03 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 124.155 0.982 . . . . 2.16 109.008 -176.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.441 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 10.7 p-10 -175.23 -34.25 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 114.273 1.212 . . . . 2.8 114.273 -167.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 73.43 115.1 0.06 Allowed 'General case' 0 C--N 1.34 0.154 0 C-N-CA 126.608 1.963 . . . . 3.68 111.627 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -147.02 33.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.147 -1.057 . . . . 0.58 108.147 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -61.13 -46.17 91.69 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 121.667 -0.646 . . . . 2.67 110.864 -172.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.01 -32.01 69.33 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 123.776 0.673 . . . . 0.3 110.649 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.74 -40.91 54.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.611 -0.68 . . . . 2.72 109.207 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.834 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.9 t -66.56 -50.24 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 N-CA-C 108.379 -0.971 . . . . 0.41 108.379 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.486 ' HA ' HD21 ' A' ' 67' ' ' LEU . 7.4 tm-20 -44.05 -63.17 0.92 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.127 -1.416 . . . . 3.27 110.868 168.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 t -48.38 -43.52 33.88 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.44 1.473 . . . . 0.59 110.813 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.84 63.44 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.724 0.638 . . . . 0.34 112.724 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.658 HD21 HG13 ' A' ' 22' ' ' VAL . 32.8 mt -62.27 -43.6 98.45 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.487 1.115 . . . . 1.04 109.939 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -56.84 9.29 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.628 1.171 . . . . 2.89 108.939 172.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -61.21 -45.62 93.8 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 121.286 -0.166 . . . . 3.98 111.122 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.61 -32.64 67.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.032 0.933 . . . . 0.46 110.728 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.69 38.69 0.57 Allowed Glycine 0 CA--C 1.522 0.491 0 C-N-CA 124.321 0.962 . . . . 0.68 111.594 164.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -128.18 120.67 27.75 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.739 0.769 . . . . 2.21 109.443 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -81.71 114.95 20.71 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.542 -1.281 . . . . 1.45 107.542 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.594 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.2 pp -112.73 -178.13 3.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.168 0.987 . . . . 0.85 110.455 176.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -134.43 119.02 18.05 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.109 -1.441 . . . . 2.94 107.109 166.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.42 109.62 0.72 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.697 1.599 . . . . 4.2 109.193 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.25 177.53 5.82 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 122.262 1.03 . . . . 2.92 111.329 -173.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 . . . . . 0 N--CA 1.448 -0.539 0 C-N-CA 125.134 1.374 . . . . 3.55 110.993 164.323 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.517 -0.321 0 N-CA-C 108.883 -0.784 . . . . 0.91 108.883 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -106.57 135.99 47.14 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 125.189 1.556 . . . . 3.34 108.514 172.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.607 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 30.3 m-85 -122.55 131.85 54.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.449 1.1 . . . . 2.5 112.174 172.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 m -108.03 147.38 31.22 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.212 0.945 . . . . 1.99 110.929 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.636 ' CZ2' HG11 ' A' ' 56' ' ' VAL . 1.2 m-90 -137.51 159.87 40.75 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.883 1.673 . . . . 1.1 108.881 168.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HD2' ' HG2' ' A' ' 70' ' ' GLU . 6.1 ptmt -122.44 123.27 40.93 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 126.633 1.973 . . . . 1.89 107.558 174.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.473 HG13 ' HB3' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -120.09 -176.65 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.723 1.609 . . . . 1.34 111.643 -177.04 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -150.5 123.58 8.81 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.151 1.78 . . . . 1.48 107.467 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.25 -20.21 4.24 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.685 1.612 . . . . 0.84 113.802 171.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.42 82.92 3.74 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 124.172 0.989 . . . . 5.11 111.35 -175.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -139.12 85.91 2.1 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.071 -0.714 . . . . 3.2 109.071 160.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -154.43 -93.92 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.693 -0.63 . . . . 2.6 110.484 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.51 -59.36 0.03 OUTLIER 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.85 0.86 . . . . 1.97 108.977 174.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.12 -33.52 67.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.089 0.956 . . . . 0.76 111.795 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 m -69.13 -34.06 74.44 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.503 -0.925 . . . . 1.68 108.503 -175.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.28 90.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.486 -0.485 . . . . 0.63 110.197 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -61.38 -50.98 70.68 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 118.893 -1.123 . . . . 3.83 110.17 174.371 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -44.61 -47.0 10.37 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.773 1.17 . . . . 3.12 112.021 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.39 -60.85 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 123.571 0.748 . . . . 0.48 110.907 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 15.2 pt-20 -63.43 -37.24 86.53 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 118.62 -1.232 . . . . 1.98 108.433 -172.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -64.48 -36.56 84.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.74 1.216 . . . . 0.64 110.503 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -21.38 24.25 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.878 0.471 . . . . 0.46 112.234 169.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.576 HG22 HG13 ' A' ' 56' ' ' VAL . 45.8 t -103.91 -41.33 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.931 1.292 . . . . 1.84 110.857 -178.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -63.54 -32.63 74.15 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 119.932 -1.73 . . . . 2.48 109.566 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -61.71 -13.07 19.69 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.357 1.243 . . . . 0.53 114.357 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.61 -110.36 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.544 1.066 . . . . 0.58 109.37 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 179.85 -48.97 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 124.457 1.103 . . . . 0.43 109.02 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.2 -9.99 85.36 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 115.504 -0.771 . . . . 0.53 113.355 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.444 HG21 HG12 ' A' ' 26' ' ' VAL . 49.0 t -64.33 150.65 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.019 0.928 . . . . 0.54 109.231 170.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -140.27 -6.24 1.22 Allowed 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 115.059 1.503 . . . . 2.58 115.059 166.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -158.24 145.45 17.93 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 105.222 -2.14 . . . . 1.52 105.222 -176.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -147.02 128.26 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 124.485 1.114 . . . . 2.76 108.907 -169.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -127.96 92.11 3.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.027 0.931 . . . . 1.81 110.153 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.411 HG22 HD21 ' A' ' 44' ' ' LEU . 12.7 t -92.9 101.5 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 126.372 1.869 . . . . 2.15 108.208 173.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.8 tp -104.01 110.63 22.87 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.6 -0.889 . . . . 0.49 108.6 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.26 165.79 2.5 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.596 0.758 . . . . 2.24 111.198 168.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.5 -50.15 0.66 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 126.345 1.858 . . . . 1.18 111.94 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -70.52 -24.89 62.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.256 -0.646 . . . . 1.01 109.256 167.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 56.3 37.97 29.33 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.946 1.298 . . . . 4.55 108.773 178.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.55 130.35 54.19 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 105.937 -1.875 . . . . 1.43 105.937 -166.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -99.83 136.01 40.39 Favored 'General case' 0 N--CA 1.414 -2.246 0 N-CA-C 108.02 -1.104 . . . . 1.16 108.02 -178.168 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -123.39 147.55 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 O-C-N 124.469 1.106 . . . . 0.71 110.385 154.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.04 125.44 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 105.816 -1.92 . . . . 0.38 105.816 172.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -104.54 120.72 41.92 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.471 -1.677 . . . . 2.33 106.471 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -152.6 122.41 6.94 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 123.04 0.536 . . . . 0.78 111.179 -163.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 57.71 2.65 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.271 -0.64 . . . . 2.33 109.271 -169.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -29.9 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.085 1.513 . . . . 3.07 115.085 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 91.08 106.75 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.827 2.051 . . . . 5.01 110.373 171.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pp -148.14 31.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 123.027 0.531 . . . . 0.52 111.29 -167.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.583 ' HD2' ' HZ3' ' A' ' 8' ' ' TRP . 2.2 mmt180 -54.28 -51.21 65.3 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.58 -0.7 . . . . 4.07 110.642 -175.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.74 71.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.668 0.787 . . . . 0.32 110.179 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -73.69 -42.1 61.71 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.222 -0.659 . . . . 2.99 109.222 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.636 HG11 ' CZ2' ' A' ' 8' ' ' TRP . 55.8 t -64.89 -50.74 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 108.871 -0.789 . . . . 0.47 108.871 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -47.06 -60.05 2.72 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 117.822 -1.085 . . . . 2.24 110.834 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.7 t -46.73 -48.49 20.38 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.446 1.021 . . . . 0.68 110.579 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.76 84.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.444 0.535 . . . . 0.36 112.444 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.474 HD12 HG12 ' A' ' 56' ' ' VAL . 66.8 mt -70.6 -40.07 73.42 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.915 0.886 . . . . 1.16 111.412 -176.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -49.87 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.184 -0.673 . . . . 2.6 109.184 169.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.32 -43.47 98.82 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.381 -0.199 . . . . 4.03 111.306 176.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.28 69.06 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.698 0.799 . . . . 0.44 110.609 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.47 47.35 0.42 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 123.931 0.777 . . . . 0.81 111.501 164.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -138.06 150.17 46.67 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 108.707 -0.849 . . . . 2.05 108.707 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 p -98.64 114.48 26.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.962 -1.125 . . . . 1.38 107.962 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' HB3' HG13 ' A' ' 10' ' ' VAL . 3.7 pp -106.94 176.55 5.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.091 0.556 . . . . 0.78 110.313 166.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -127.67 147.27 50.37 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 103.713 -2.699 . . . . 4.85 103.713 157.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -65.74 123.34 19.48 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 107.142 -1.429 . . . . 2.8 107.142 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG2' ' HD2' ' A' ' 9' ' ' LYS . 1.4 mm-40 -89.65 -179.82 5.86 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.673 -0.694 . . . . 2.53 110.635 176.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.54 0.591 0 C-N-CA 119.502 -0.879 . . . . 4.45 110.939 168.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 121.551 0.691 . . . . 1.86 110.166 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -96.86 140.2 31.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.957 1.303 . . . . 5.57 107.532 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.61 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 39.6 m-85 -134.04 123.33 24.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.873 1.269 . . . . 1.73 109.469 176.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.481 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 61.2 p -101.92 152.05 21.39 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 123.772 0.67 . . . . 2.07 110.943 176.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.81 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -133.86 170.02 16.22 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.654 -1.239 . . . . 1.06 107.654 166.133 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 4.5 mppt? -115.24 120.41 39.62 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 105.031 -2.211 . . . . 1.95 105.031 166.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.419 HG21 HD23 ' A' ' 44' ' ' LEU . 2.8 t -103.3 166.16 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 118.907 0.776 . . . . 1.15 109.0 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 t -145.05 115.04 7.41 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.997 -1.112 . . . . 1.15 107.997 164.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.42 -44.35 0.88 Allowed Glycine 0 CA--C 1.526 0.728 0 C-N-CA 123.448 0.547 . . . . 0.72 112.025 168.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.57 96.34 1.18 Allowed 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.283 -0.54 . . . . 1.88 111.162 -177.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -143.04 93.25 2.48 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.377 0.671 . . . . 3.12 109.469 166.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.26 -84.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.627 0.771 . . . . 2.38 109.936 169.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.93 -57.75 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.34 1.456 . . . . 2.18 108.6 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.23 63.77 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.998 -0.546 . . . . 0.85 111.615 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 m -72.84 -41.38 64.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.518 -0.919 . . . . 1.76 108.518 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.621 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.46 -40.53 91.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.606 -0.437 . . . . 0.55 110.454 174.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 83.8 mtm180 -61.8 -53.74 51.86 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 118.533 -1.267 . . . . 4.6 110.892 171.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -44.66 -46.75 10.38 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.853 1.206 . . . . 2.94 111.731 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.726 ' CG1' HD21 ' A' ' 44' ' ' LEU . 29.4 t -58.24 -63.07 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 124.757 1.223 . . . . 0.58 111.59 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 24' ' ' ASN . 10.7 pt-20 -56.98 -46.9 81.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 105.874 -1.899 . . . . 2.07 105.874 -172.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.478 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 24.3 m-80 -65.19 -37.33 86.99 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 123.316 0.646 . . . . 0.49 109.672 -172.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -21.98 41.49 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.475 0.71 . . . . 0.42 112.78 170.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 HG13 ' A' ' 56' ' ' VAL . 48.1 t -91.96 -50.32 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.017 1.327 . . . . 1.69 110.371 172.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -61.23 -26.75 67.96 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 120.147 -1.596 . . . . 2.75 111.202 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.37 -14.29 38.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.662 0.986 . . . . 0.78 113.662 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -119.71 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.177 0.899 . . . . 0.62 109.401 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.45 -48.84 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.204 0 O-C-N 121.323 -0.861 . . . . 0.48 109.247 -176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.02 -21.99 79.44 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.53 -0.759 . . . . 0.6 112.011 -177.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.413 HG11 HG12 ' A' ' 26' ' ' VAL . 72.0 t -53.47 128.63 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.998 -0.742 . . . . 0.39 108.998 168.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -133.43 -3.32 3.02 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.503 0.927 . . . . 2.57 113.503 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.96 160.26 40.98 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 105.615 -1.994 . . . . 1.5 105.615 162.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -157.17 136.36 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.999 -1.111 . . . . 1.45 107.999 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -124.35 111.12 15.42 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.713 -1.217 . . . . 2.5 107.713 170.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -95.4 119.74 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 105.538 -2.023 . . . . 2.15 105.538 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 tp -119.42 111.46 18.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.178 -1.045 . . . . 0.41 108.178 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 28.0 m-85 -61.53 159.17 13.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 124.178 0.924 . . . . 2.19 111.74 172.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 75.21 -42.26 0.48 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 128.546 2.739 . . . . 1.42 110.796 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.0 m -71.72 -22.41 61.64 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.042 0.937 . . . . 1.12 110.141 164.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.59 42.72 19.56 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.842 1.257 . . . . 3.97 111.472 -172.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.68 122.57 39.75 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.317 -1.364 . . . . 1.44 107.317 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.726 HD21 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -98.09 118.84 35.6 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 103.243 -2.873 . . . . 1.55 103.243 161.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -121.93 114.0 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.72 0 N-CA-C 108.635 -0.876 . . . . 0.7 108.635 161.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.2 t -102.37 133.9 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.026 -1.101 . . . . 0.46 108.026 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.71 104.84 13.21 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.601 -1.259 . . . . 3.03 107.601 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.26 134.57 42.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.097 0.959 . . . . 0.6 110.421 -170.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -85.66 57.33 4.41 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 108.482 -0.933 . . . . 1.85 108.482 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.24 150.63 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 128.235 2.614 . . . . 1.82 108.707 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -74.94 121.67 22.28 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.528 1.058 . . . . 3.25 109.375 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.424 HD13 HG23 ' A' ' 56' ' ' VAL . 1.8 pp -142.72 23.9 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 109.608 -0.516 . . . . 0.55 109.608 -179.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.9 mtm-85 -63.2 -44.04 96.45 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 121.223 -0.923 . . . . 2.72 111.524 -172.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.13 65.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.016 0.822 . . . . 0.33 109.882 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -78.46 -44.06 25.6 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.536 -0.542 . . . . 2.86 109.536 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.81 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 41.4 t -63.86 -46.87 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 119.509 -0.876 . . . . 0.37 108.663 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -47.81 -60.42 2.59 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.945 -1.026 . . . . 2.32 110.999 170.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.5 t -46.55 -48.65 19.42 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.346 0.975 . . . . 0.52 110.264 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.61 -51.12 71.18 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.373 0.508 . . . . 0.25 112.373 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.421 HD12 HG12 ' A' ' 56' ' ' VAL . 74.1 mt -65.93 -42.02 90.63 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.552 1.141 . . . . 1.02 111.508 -176.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -49.01 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.636 -0.876 . . . . 2.2 108.636 174.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -62.64 -42.68 99.73 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 121.477 -0.089 . . . . 4.56 110.994 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.1 77.05 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.963 0.905 . . . . 0.46 110.305 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.35 45.69 0.29 Allowed Glycine 0 CA--C 1.523 0.572 0 C-N-CA 124.171 0.891 . . . . 0.52 111.665 166.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -127.66 133.82 49.63 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 108.367 -0.975 . . . . 1.89 108.367 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.2 p -82.54 123.5 29.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.976 -1.861 . . . . 1.86 105.976 172.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.3 pp -125.98 176.87 6.69 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 123.879 0.737 . . . . 0.75 109.445 169.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mtp-105 -128.31 140.94 51.6 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.614 -2.365 . . . . 5.01 104.614 156.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.27 141.48 58.6 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 106.567 -1.642 . . . . 3.01 106.567 171.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.459 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.3 mm-40 -105.97 177.62 4.8 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 113.41 -1.723 . . . . 2.96 111.402 172.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 . . . . . 0 CA--C 1.538 0.486 0 CA-C-N 114.511 -1.222 . . . . 3.4 111.77 172.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 107.397 -1.334 . . . . 0.85 107.397 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -99.21 123.9 43.85 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.841 -1.072 . . . . 3.48 108.691 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.678 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.0 m-85 -108.83 133.35 52.99 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.62 1.568 . . . . 1.8 111.785 174.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.408 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 43.5 t -106.39 153.13 22.68 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.548 0.739 . . . . 2.02 110.105 172.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.882 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -139.03 159.09 42.97 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.888 1.275 . . . . 1.04 109.239 164.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.477 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 3.0 mppt? -105.91 123.97 48.83 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 105.441 -2.059 . . . . 1.86 105.441 168.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -105.03 166.83 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 124.419 1.087 . . . . 1.07 109.803 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -136.39 117.99 14.92 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.158 1.383 . . . . 1.07 107.701 164.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.42 -30.04 3.21 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 126.23 1.871 . . . . 0.98 111.639 176.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 22' ' ' VAL . 33.3 ttp -77.06 75.73 3.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 121.646 -0.914 . . . . 2.2 110.933 -173.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.62 59.96 1.33 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.951 0.882 . . . . 3.53 111.119 167.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.83 145.09 18.24 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.288 -0.634 . . . . 2.4 109.288 170.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 64.75 0.64 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 122.477 1.132 . . . . 2.86 113.509 -171.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.0 -48.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.661 1.985 . . . . 1.17 108.191 -171.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.2 m -68.91 -36.08 77.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.377 -0.971 . . . . 1.8 108.377 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -53.41 -50.51 65.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 119.495 -0.288 . . . . 0.52 110.886 175.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -58.87 -50.76 72.78 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.631 -0.828 . . . . 3.47 110.329 176.322 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -49.0 -46.16 43.47 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.645 -0.659 . . . . 3.13 111.832 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.501 HG21 ' SD ' ' A' ' 13' ' ' MET . 36.3 t -58.59 -59.01 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 123.407 0.683 . . . . 0.46 111.089 176.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 26' ' ' VAL . 16.4 pt-20 -62.8 -45.54 92.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.915 -1.142 . . . . 2.12 107.915 -170.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -59.9 -41.35 91.46 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 121.568 -0.708 . . . . 0.49 109.729 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -19.33 22.23 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 113.09 0.774 . . . . 0.38 113.09 174.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.66 HG12 HG13 ' A' ' 56' ' ' VAL . 8.2 m -100.9 -38.97 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 119.396 0.998 . . . . 1.85 112.738 172.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -59.71 -31.46 69.62 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.569 -0.707 . . . . 3.49 109.202 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -64.87 -14.92 61.11 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.468 0.914 . . . . 1.19 113.468 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.49 -112.57 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.653 0.66 . . . . 0.54 109.795 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.99 -49.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.917 0.887 . . . . 0.38 108.621 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.0 -9.04 87.49 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 115.297 -0.865 . . . . 0.49 113.31 -173.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.1 t -72.94 129.77 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 124.046 0.938 . . . . 0.71 109.422 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -98.9 -63.71 1.1 Allowed 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.678 -0.86 . . . . 2.12 108.678 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -137.65 104.46 5.33 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.976 0.911 . . . . 1.4 108.55 -161.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 p -93.12 137.36 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.858 0.863 . . . . 1.46 110.395 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -123.07 90.38 3.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.326 1.45 . . . . 1.74 109.725 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -89.3 117.65 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 105.453 -2.054 . . . . 1.67 105.453 166.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.0 tp -120.23 113.84 21.01 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 106.913 -1.514 . . . . 0.52 106.913 174.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 32.7 m-85 -61.14 167.04 3.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.624 0.77 . . . . 2.66 111.373 172.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.98 -47.02 0.57 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.67 2.388 . . . . 1.17 112.703 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m -69.15 -26.07 64.69 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.562 0.745 . . . . 1.08 108.991 170.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 55.52 35.02 24.28 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.177 1.391 . . . . 4.34 110.278 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.09 138.57 51.53 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.564 -1.273 . . . . 2.94 107.564 -176.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -100.64 139.02 36.92 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 107.115 -1.439 . . . . 1.34 107.115 177.613 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -124.79 147.51 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 O-C-N 123.711 0.632 . . . . 0.62 110.094 159.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.0 t -137.38 121.43 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 125.439 1.496 . . . . 0.42 107.537 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.68 123.97 39.49 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 106.702 -1.592 . . . . 4.03 106.702 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.65 135.29 18.5 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.105 0.562 . . . . 0.51 110.419 -173.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.68 57.91 4.62 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.24 -0.652 . . . . 2.11 109.24 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 169.91 161.7 0.06 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.763 2.025 . . . . 1.68 109.232 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -82.4 112.6 19.5 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.299 0.639 . . . . 3.99 110.154 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.423 HD13 HG23 ' A' ' 56' ' ' VAL . 1.4 pp -134.22 18.56 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 124.24 1.016 . . . . 0.63 111.354 177.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -61.47 -47.63 84.81 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.726 -1.234 . . . . 3.61 110.982 -169.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.43 -31.18 67.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 123.929 0.768 . . . . 0.28 110.356 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -76.05 -44.97 36.64 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.506 -0.553 . . . . 2.97 109.506 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.882 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 33.0 t -63.36 -49.63 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 108.506 -0.924 . . . . 0.37 108.506 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HA ' HD21 ' A' ' 67' ' ' LEU . 43.1 tt0 -49.92 -59.92 3.41 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.88 -1.057 . . . . 2.42 110.625 174.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 t -47.76 -45.79 29.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.437 1.017 . . . . 0.53 110.518 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.19 -50.8 70.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.559 0.743 . . . . 0.36 112.628 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.492 HD12 HG12 ' A' ' 56' ' ' VAL . 15.9 mt -68.1 -42.32 80.5 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.425 1.09 . . . . 0.97 110.516 -177.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -53.98 45.49 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.598 -0.728 . . . . 2.59 109.603 173.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -65.27 -36.14 83.18 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.622 -0.831 . . . . 4.99 111.663 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.03 72.18 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.032 -0.418 . . . . 0.55 110.655 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.62 44.17 0.56 Allowed Glycine 0 CA--C 1.523 0.549 0 C-N-CA 124.284 0.945 . . . . 0.69 111.61 167.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -131.77 130.2 41.55 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 108.775 -0.824 . . . . 2.07 108.775 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -86.24 110.35 19.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.296 -1.372 . . . . 1.97 107.296 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.623 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.8 pp -97.95 177.87 5.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.696 0.623 . . . . 0.94 111.031 170.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -130.01 139.63 51.0 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.924 -1.88 . . . . 3.47 105.924 159.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -74.66 112.32 10.74 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.903 -1.147 . . . . 3.12 107.903 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.477 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.5 mm-40 -77.71 -178.77 5.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.816 -0.753 . . . . 2.41 110.694 176.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 . . . . . 0 C--N 1.322 -0.592 0 C-N-CA 123.863 0.865 . . . . 3.41 110.232 173.418 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.515 -0.395 0 N-CA-C 107.669 -1.234 . . . . 1.09 107.669 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -98.59 138.31 35.96 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.703 -1.589 . . . . 5.3 108.759 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.656 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.1 m-85 -118.63 135.17 54.6 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.731 2.012 . . . . 2.07 110.678 172.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.441 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 17.2 t -110.21 153.0 25.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.174 0.99 . . . . 2.06 109.813 174.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.882 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 5.7 m-90 -138.25 156.54 47.57 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 124.418 1.087 . . . . 1.04 109.109 168.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -111.73 109.53 19.43 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 106.271 -1.751 . . . . 1.9 106.271 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 11' ' ' SER . 1.7 t -100.91 178.37 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.102 0.961 . . . . 1.46 110.268 -175.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.505 ' H ' HG12 ' A' ' 10' ' ' VAL . 13.2 m -153.43 106.93 2.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.016 1.326 . . . . 1.4 108.536 173.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.14 -34.65 1.82 Allowed Glycine 0 CA--C 1.529 0.924 0 C-N-CA 125.081 1.324 . . . . 0.98 112.34 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -73.78 99.49 3.19 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.977 -0.719 . . . . 2.1 110.668 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -151.87 77.37 1.22 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.257 0.623 . . . . 3.27 110.07 170.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -155.55 -93.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.042 0.937 . . . . 2.39 110.385 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.11 -56.95 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.083 1.353 . . . . 2.23 108.738 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.31 -34.78 58.81 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.561 -0.745 . . . . 0.84 111.108 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.1 m -72.61 -43.56 63.14 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.258 -1.015 . . . . 1.66 108.258 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.652 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -56.13 -47.67 77.69 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.869 -0.419 . . . . 0.61 109.869 176.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.48 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 33.7 mtt-85 -63.57 -53.51 50.67 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.183 -1.007 . . . . 3.11 109.84 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -48.62 -40.58 28.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.2 -0.938 . . . . 4.25 111.948 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.443 HG11 HD21 ' A' ' 44' ' ' LEU . 47.8 t -61.5 -62.06 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 123.376 0.67 . . . . 0.7 110.553 171.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.48 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 11.8 pt-20 -59.38 -43.54 92.88 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 107.83 -1.174 . . . . 1.85 107.83 -169.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -59.88 -41.22 91.07 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.802 1.241 . . . . 0.59 109.754 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -58.92 -22.47 59.76 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.046 0.758 . . . . 0.71 113.046 171.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.567 HG12 HG11 ' A' ' 32' ' ' VAL . 46.9 t -91.14 -39.38 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.889 1.276 . . . . 1.72 110.924 172.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -66.24 -34.77 78.76 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 119.704 -1.872 . . . . 2.56 109.676 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -60.85 -14.78 24.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.563 1.32 . . . . 0.69 114.563 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.86 -104.06 0.0 OUTLIER 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.65 1.114 . . . . 0.6 110.925 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 174.88 -52.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.631 1.172 . . . . 0.41 108.824 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.63 -18.49 78.65 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 115.172 -0.922 . . . . 0.38 112.813 -173.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.567 HG11 HG12 ' A' ' 26' ' ' VAL . 53.0 t -62.47 132.2 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 124.675 1.19 . . . . 0.37 109.693 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -99.0 -62.75 1.19 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.173 -1.047 . . . . 2.09 108.173 173.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -140.51 105.57 4.99 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.197 0.999 . . . . 1.38 108.553 -163.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -101.15 134.11 42.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 123.977 0.911 . . . . 1.46 109.213 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -134.92 104.09 5.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 122.668 1.223 . . . . 1.68 109.078 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.443 HG12 ' CD2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -95.17 127.63 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 127.828 2.451 . . . . 1.57 105.985 177.362 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.2 tp -125.88 123.04 37.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.161 -1.052 . . . . 0.46 108.161 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 29.8 m-85 -71.51 170.03 14.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.553 0.741 . . . . 2.17 112.526 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 69.72 -48.25 0.61 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.457 2.303 . . . . 1.35 112.635 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -67.94 -25.68 65.58 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.843 0.857 . . . . 1.03 109.458 169.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 55.1 33.7 20.98 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.616 1.566 . . . . 4.25 111.063 179.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.14 137.2 47.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.935 -1.135 . . . . 1.32 107.935 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.443 ' CD2' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.42 142.28 33.04 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.088 -1.449 . . . . 1.12 107.088 177.061 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.23 139.77 49.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 118.75 0.704 . . . . 0.8 111.858 165.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -133.9 123.92 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 C-N-CA 125.202 1.401 . . . . 0.4 108.187 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -96.52 124.11 40.4 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.228 -1.397 . . . . 4.2 107.228 167.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.2 134.99 18.8 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.448 0.467 . . . . 0.57 111.065 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.9 56.94 3.26 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.427 0.691 . . . . 2.33 109.689 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 172.2 170.21 0.11 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.855 1.662 . . . . 1.71 109.193 175.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -80.86 110.77 16.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.58 1.952 . . . . 4.66 109.695 171.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.419 HD13 HG23 ' A' ' 56' ' ' VAL . 1.6 pp -138.84 19.31 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 O-C-N 121.687 -0.633 . . . . 0.59 111.229 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -64.71 -47.11 79.54 Favored 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 120.701 -1.249 . . . . 2.57 110.924 -169.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.0 -31.03 69.54 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.34 109.823 173.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -44.38 71.56 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.118 -0.697 . . . . 2.68 109.118 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.882 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 44.9 t -66.55 -55.54 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 107.769 -1.197 . . . . 0.36 107.769 -179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -43.75 -58.57 2.64 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 117.43 -1.272 . . . . 2.41 109.79 175.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.5 t -45.26 -41.9 9.02 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.728 1.149 . . . . 0.62 111.358 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -68.29 -45.63 72.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.194 0.598 . . . . 0.29 110.791 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mp -68.4 -39.76 81.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.634 -0.666 . . . . 1.86 111.615 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.98 -54.52 46.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.358 -1.349 . . . . 3.07 107.358 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -32.57 70.94 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 111.849 0.314 . . . . 4.55 111.849 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.55 83.55 Favored 'General case' 0 C--N 1.34 0.186 0 O-C-N 121.671 -0.643 . . . . 0.79 111.161 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.75 47.03 0.54 Allowed Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.744 1.164 . . . . 0.56 111.836 173.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -131.03 122.64 27.13 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 108.28 -1.008 . . . . 1.9 108.28 173.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -83.74 121.8 27.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.238 -1.023 . . . . 1.71 108.238 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 pp -123.77 177.06 5.9 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.767 0.827 . . . . 0.83 111.56 173.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -129.21 122.09 28.99 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 105.497 -2.038 . . . . 4.07 105.497 169.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.39 124.17 19.85 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.555 -1.276 . . . . 4.11 107.555 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -177.52 3.54 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 122.981 1.372 . . . . 2.77 109.483 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 113.723 -1.58 . . . . 3.3 109.827 177.394 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.515 -0.38 0 N-CA-C 107.596 -1.261 . . . . 1.13 107.596 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -99.76 144.57 28.68 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 107.781 -1.192 . . . . 3.29 107.781 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.606 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 15.1 m-85 -130.88 132.89 45.43 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.192 1.797 . . . . 1.75 109.749 170.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.438 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 94.1 p -108.99 154.64 21.89 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 118.822 0.737 . . . . 1.87 110.892 173.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.776 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -141.11 159.9 41.24 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.603 0.761 . . . . 1.06 109.841 169.377 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -111.51 96.2 5.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.846 1.659 . . . . 2.16 107.754 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.48 142.45 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 124.483 1.113 . . . . 1.43 109.763 -173.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 t -135.63 70.12 1.43 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.068 0.947 . . . . 1.23 108.839 -162.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.57 -38.96 0.03 OUTLIER Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.952 -0.642 . . . . 0.67 112.007 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.56 111.98 4.46 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 118.655 -1.218 . . . . 2.36 110.959 175.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -145.37 72.86 1.33 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.132 0.973 . . . . 3.46 111.547 172.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.9 t -165.72 -63.03 0.03 OUTLIER 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.8 -0.562 . . . . 2.89 111.624 169.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 150.08 -53.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 127.972 2.509 . . . . 2.41 108.992 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.04 -38.73 65.5 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.276 0.56 . . . . 1.36 110.889 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -67.16 -33.6 75.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.284 1.033 . . . . 3.06 109.763 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.16 90.07 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.36 -0.608 . . . . 0.77 109.36 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 92.3 mtt180 -62.22 -46.82 87.18 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 119.716 -0.794 . . . . 2.54 110.147 176.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -49.71 -41.43 43.42 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.132 -0.98 . . . . 3.74 111.788 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.558 HG13 HD21 ' A' ' 60' ' ' LEU . 91.1 t -57.6 -60.49 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.939 0.896 . . . . 0.63 109.694 174.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 15.0 pt-20 -60.88 -45.93 92.62 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.956 -1.127 . . . . 1.99 107.956 -172.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -58.16 -40.61 81.86 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.25 1.02 . . . . 0.59 109.434 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 -21.96 62.35 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.012 0.745 . . . . 0.48 113.012 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 56' ' ' VAL . 40.2 t -92.47 -41.47 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.677 1.191 . . . . 1.75 110.662 173.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -62.13 -34.88 77.19 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 120.321 -1.487 . . . . 2.61 110.056 -174.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -58.81 -13.94 7.49 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.753 1.39 . . . . 0.51 114.753 176.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.41 -112.31 0.0 OUTLIER 'General case' 0 C--N 1.343 0.317 0 CA-C-N 119.987 1.267 . . . . 0.92 111.243 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.67 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.743 0.817 . . . . 0.36 109.462 -173.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.27 -12.43 84.59 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-N 115.705 -0.68 . . . . 0.46 113.034 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.51 HG21 HG12 ' A' ' 26' ' ' VAL . 52.8 t -64.05 139.09 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 C-N-CA 124.511 1.124 . . . . 0.44 108.929 173.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -108.93 -45.23 3.83 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.581 -0.896 . . . . 2.37 108.581 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -161.19 154.58 21.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.467 -1.309 . . . . 1.28 107.467 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.62 157.14 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 124.627 1.171 . . . . 2.13 110.536 -174.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.85 101.63 4.97 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.075 1.35 . . . . 4.13 110.867 170.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 m -95.54 76.36 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 127.909 2.484 . . . . 1.92 109.823 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.3 tp -93.66 90.58 6.67 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 105.479 -2.045 . . . . 1.29 105.479 -174.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -61.44 166.37 4.06 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 113.664 -1.607 . . . . 2.92 109.693 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.59 -49.76 0.7 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.132 1.373 . . . . 2.6 111.421 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 m -70.0 -3.52 16.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.825 0.85 . . . . 2.01 111.521 170.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 64.9 29.08 12.58 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.044 0.937 . . . . 6.18 110.795 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.56 121.57 17.8 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 121.24 -0.912 . . . . 1.67 112.425 -169.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.06 141.27 32.03 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 106.999 -1.482 . . . . 2.06 106.999 171.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -127.52 145.99 34.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 123.544 0.528 . . . . 0.71 111.368 156.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.3 t -132.52 129.17 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 125.794 1.638 . . . . 0.51 107.806 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.88 119.37 38.32 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.773 1.629 . . . . 2.23 108.764 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.68 144.13 24.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.029 1.332 . . . . 0.69 111.927 -163.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.95 56.74 1.73 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.039 0.936 . . . . 2.55 109.546 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 171.67 172.3 0.09 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.62 1.968 . . . . 1.69 107.45 173.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -86.12 123.68 31.69 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 118.948 0.794 . . . . 3.2 109.03 165.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -133.93 23.22 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.343 1.057 . . . . 0.73 110.057 166.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.425 HH22 ' CB ' ' A' ' 69' ' ' ASP . 6.0 mtp-105 -65.49 -50.13 66.47 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 120.108 -1.62 . . . . 3.1 111.662 -168.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.14 -24.29 62.89 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.437 -0.801 . . . . 0.34 109.531 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -48.22 33.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.215 -1.031 . . . . 2.65 108.215 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.776 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 43.1 t -64.11 -47.68 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 115.359 -0.837 . . . . 0.39 108.863 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.519 ' HA ' HD21 ' A' ' 67' ' ' LEU . 11.4 tm-20 -48.72 -61.33 2.09 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 117.508 -1.234 . . . . 2.93 111.474 171.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 t -50.48 -44.67 55.86 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.742 1.156 . . . . 0.58 110.232 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.75 72.65 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.719 0.637 . . . . 0.35 112.719 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.558 HD21 HG13 ' A' ' 22' ' ' VAL . 35.1 mt -66.03 -44.95 83.18 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.559 0.744 . . . . 1.05 109.995 -176.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.45 -52.15 55.58 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.34 -0.845 . . . . 3.53 109.347 173.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -62.39 -40.21 95.73 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.139 -0.35 . . . . 4.97 111.524 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.17 73.82 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.484 0.714 . . . . 0.56 110.333 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.62 54.93 0.22 Allowed Glycine 0 C--N 1.334 0.435 0 N-CA-C 110.254 -1.139 . . . . 0.56 110.254 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -132.44 175.36 9.36 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.92 -1.511 . . . . 1.83 106.92 171.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 p -121.55 121.12 36.73 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.285 -2.487 . . . . 1.91 104.285 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.599 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.4 pp -113.72 176.4 5.05 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.834 0.349 . . . . 0.94 110.858 170.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -132.39 128.99 38.76 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.404 -2.073 . . . . 3.58 105.404 165.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.425 ' CB ' HH22 ' A' ' 53' ' ' ARG . 0.9 OUTLIER -59.78 104.92 0.32 Allowed 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.95 1.3 . . . . 3.37 109.004 176.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.45 168.2 15.72 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.598 0.713 . . . . 3.0 111.669 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.3 pm0 . . . . . 0 CA--C 1.535 0.392 0 C-N-CA 125.832 1.653 . . . . 3.84 112.049 167.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 122.1 0.953 . . . . 1.28 111.425 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -98.41 138.16 36.05 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.786 -2.006 . . . . 5.68 108.102 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.642 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 21.8 m-85 -117.75 132.3 56.48 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 128.129 2.571 . . . . 1.98 110.487 166.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.2 t -113.52 150.37 33.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.101 1.36 . . . . 1.87 109.358 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.743 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -141.43 155.89 45.83 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 123.996 0.919 . . . . 1.14 111.447 169.178 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -111.18 101.1 9.64 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.914 1.685 . . . . 2.24 106.993 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -106.28 167.24 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 119.545 1.066 . . . . 1.29 110.619 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -139.66 102.72 4.51 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 107.814 -1.18 . . . . 1.05 107.814 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.93 -21.75 1.27 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 122.986 0.327 . . . . 0.92 113.215 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.55 ' SD ' HG21 ' A' ' 22' ' ' VAL . 8.2 mtm -64.81 108.89 1.88 Allowed 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.936 -0.743 . . . . 3.45 112.328 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.1 p-10 -142.16 -9.77 0.87 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.447 1.277 . . . . 4.85 114.447 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 m -122.77 141.65 51.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.663 1.12 . . . . 2.94 112.178 -161.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.26 -51.72 10.48 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.308 0.855 . . . . 2.11 113.308 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.35 75.18 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.384 0.674 . . . . 1.2 111.721 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -70.42 -40.63 73.72 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.628 -0.878 . . . . 1.73 108.628 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.747 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -55.66 -48.78 74.44 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.874 -0.417 . . . . 0.86 109.874 175.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 6.1 mtt85 -63.3 -52.27 62.64 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 118.599 -1.24 . . . . 3.6 110.874 176.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -48.63 -41.56 31.51 Favored 'General case' 0 C--O 1.223 -0.312 0 O-C-N 121.197 -0.939 . . . . 5.14 111.649 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.55 HG21 ' SD ' ' A' ' 13' ' ' MET . 42.5 t -62.09 -59.48 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.339 1.056 . . . . 0.67 112.33 175.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 26' ' ' VAL . 12.3 pt-20 -60.6 -44.78 95.88 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 106.835 -1.542 . . . . 1.88 106.835 -173.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -66.87 -32.09 73.13 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.075 -1.016 . . . . 0.72 111.065 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.76 -26.25 44.9 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-O 118.613 -0.708 . . . . 0.39 111.655 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.518 HG12 HG13 ' A' ' 56' ' ' VAL . 2.7 m -98.06 -43.98 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 118.931 0.787 . . . . 2.01 112.507 175.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -61.37 -25.7 67.34 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.47 -0.769 . . . . 2.53 110.894 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -67.72 -13.85 62.46 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 112.787 0.662 . . . . 0.52 112.787 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -112.41 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.883 0.873 . . . . 0.64 109.081 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.22 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.966 1.306 . . . . 0.33 108.514 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.51 -19.44 79.86 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 115.491 -0.777 . . . . 0.4 113.249 -173.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.79 131.35 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.457 0.703 . . . . 0.55 109.648 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -99.38 -51.03 3.91 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.383 -1.34 . . . . 2.07 107.383 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -147.21 155.25 41.93 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.197 -1.409 . . . . 1.44 107.197 -171.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.64 141.1 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.759 1.224 . . . . 1.44 109.285 -171.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.409 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 43.0 mt-30 -124.19 91.86 3.54 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.077 1.351 . . . . 1.83 108.932 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.4 101.33 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.824 1.25 . . . . 2.09 107.875 172.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -104.16 108.46 19.84 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.682 -0.858 . . . . 0.68 108.682 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 19.0 m-85 -63.09 168.27 4.26 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-O 121.361 0.601 . . . . 2.33 111.243 168.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.85 -47.67 0.65 Allowed 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 126.33 1.852 . . . . 1.13 111.803 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.36 4.14 21.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.247 1.019 . . . . 0.94 112.276 172.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 35.67 33.64 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.177 2.591 . . . . 4.63 115.142 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.67 130.03 56.1 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.903 -0.777 . . . . 1.34 108.903 -171.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -98.49 139.2 34.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.175 -1.787 . . . . 1.13 106.175 179.563 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 18.9 t -126.29 144.08 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 O-C-N 123.669 0.605 . . . . 0.69 109.845 160.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 67.0 t -132.9 125.03 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 106.133 -1.803 . . . . 0.37 106.133 176.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -110.78 99.43 8.36 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 106.554 -1.647 . . . . 2.74 106.554 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.02 143.07 49.8 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.028 1.331 . . . . 0.52 110.024 -168.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.71 58.91 0.85 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.595 -0.52 . . . . 2.02 109.595 -174.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.15 -32.31 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.704 1.372 . . . . 2.75 114.704 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.5 t0 78.64 127.05 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 127.628 2.371 . . . . 3.12 110.111 -166.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -149.19 32.06 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 C-N-CA 125.666 1.586 . . . . 0.5 108.12 178.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 mtm-85 -60.49 -49.12 78.81 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 121.194 -0.941 . . . . 2.75 111.949 -166.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.05 -31.78 63.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 123.896 0.748 . . . . 0.36 110.702 174.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -77.57 -45.0 26.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.445 -0.784 . . . . 2.64 109.53 -173.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.743 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 24.6 t -65.33 -46.75 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 109.159 -0.682 . . . . 0.63 109.159 175.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.573 ' HA ' HD21 ' A' ' 67' ' ' LEU . 2.0 tm-20 -50.55 -55.05 17.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.184 -0.912 . . . . 3.24 110.354 175.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.1 t -49.86 -48.14 51.42 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.579 0.627 . . . . 0.57 110.392 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.23 -49.17 78.88 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.471 0.545 . . . . 0.29 112.471 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.448 HD12 HG12 ' A' ' 56' ' ' VAL . 19.5 mt -65.03 -42.51 94.29 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.593 -0.692 . . . . 1.03 110.121 -177.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -52.25 66.1 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.99 -0.744 . . . . 2.16 108.99 175.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -56.19 -41.99 76.4 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.667 0.27 . . . . 3.84 111.077 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.53 -17.52 62.88 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 125.117 1.367 . . . . 0.94 112.941 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.79 46.79 1.01 Allowed Glycine 0 C--N 1.339 0.715 0 C-N-CA 125.056 1.313 . . . . 0.51 112.342 166.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -134.05 155.91 49.17 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.021 0.91 . . . . 1.95 110.137 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.1 m -104.05 118.81 37.56 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.574 -1.639 . . . . 1.63 106.574 168.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.573 HD21 ' HA ' ' A' ' 57' ' ' GLU . 3.9 pp -113.83 174.23 6.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.246 1.018 . . . . 0.88 109.367 171.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -133.65 137.47 45.39 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 105.282 -2.118 . . . . 3.36 105.282 166.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -68.84 120.69 15.16 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 107.908 -1.145 . . . . 3.26 107.908 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.01 178.67 5.68 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.015 -1.448 . . . . 2.81 109.649 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.613 0.72 . . . . 3.75 110.423 164.346 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 m . . . . . 0 CA--C 1.512 -0.501 0 N-CA-C 108.971 -0.751 . . . . 0.95 108.971 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.436 ' HG3' HG13 ' A' ' 45' ' ' VAL . 13.8 ttm180 -96.64 113.62 25.2 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 125.041 1.463 . . . . 3.56 107.916 -174.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.707 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 18.2 m-85 -100.23 124.04 45.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 118.594 -0.717 . . . . 1.86 112.544 171.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.401 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 0.8 OUTLIER -99.43 145.52 27.32 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 124.227 0.955 . . . . 1.9 109.392 177.363 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.894 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.2 m-90 -131.25 157.33 43.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.656 0.662 . . . . 1.11 110.213 163.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -103.49 101.03 10.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.273 -1.751 . . . . 3.35 106.273 171.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.495 HG12 ' HB3' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -96.02 -179.64 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 119.335 0.97 . . . . 1.3 109.072 -174.321 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 p -157.2 118.84 3.73 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.94 -0.475 . . . . 2.91 110.303 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.89 -22.91 5.08 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.344 1.449 . . . . 0.72 112.05 168.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.37 87.37 7.21 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 117.491 0.645 . . . . 1.88 109.479 -177.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -140.66 80.58 1.76 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.9 0.381 . . . . 2.94 110.033 168.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.97 -88.34 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.577 0.751 . . . . 2.34 109.95 174.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.96 -60.2 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.43 1.092 . . . . 2.1 109.556 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.85 -32.78 61.02 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.917 -0.489 . . . . 0.86 111.252 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.7 m -74.38 -33.82 63.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.317 -0.623 . . . . 1.87 109.317 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.749 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -59.34 -45.74 90.54 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.685 -0.857 . . . . 0.56 108.685 173.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -59.95 -52.05 67.08 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 118.884 -1.127 . . . . 2.57 111.106 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -42.95 61.12 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.444 -0.902 . . . . 2.96 111.392 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.794 ' CG1' HD21 ' A' ' 44' ' ' LEU . 37.4 t -56.04 -62.85 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.31 0.644 . . . . 0.58 111.789 173.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.521 ' O ' HG22 ' A' ' 26' ' ' VAL . 23.5 pt-20 -59.3 -44.45 92.51 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 107.567 -1.271 . . . . 1.97 107.567 -170.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -64.88 -34.25 77.94 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.941 0.896 . . . . 0.48 110.682 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.33 -21.71 50.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.264 -0.874 . . . . 0.37 112.041 171.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.566 HG12 HG13 ' A' ' 56' ' ' VAL . 5.0 m -102.48 -39.97 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 119.297 0.953 . . . . 1.93 112.932 176.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.35 -25.35 65.78 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.365 -0.834 . . . . 2.66 110.926 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -69.82 -12.98 62.04 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.243 0.831 . . . . 0.5 113.243 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -119.08 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.538 1.135 . . . . 0.71 108.778 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.51 -46.32 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.177 0 O-C-N 121.244 -0.91 . . . . 0.32 108.879 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.42 -20.44 71.93 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 115.758 -0.656 . . . . 0.45 112.846 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.91 139.14 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.644 0.778 . . . . 0.49 109.156 173.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -130.5 -47.86 1.07 Allowed 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.84 -0.6 . . . . 2.8 112.005 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.87 104.81 8.03 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.03 0.832 . . . . 1.42 109.444 -173.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.45 138.22 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 121.408 -0.807 . . . . 1.54 110.931 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -122.46 93.87 4.11 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.824 2.449 . . . . 1.87 107.243 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.3 m -91.86 110.87 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.558 -1.645 . . . . 1.72 106.558 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 tp -120.16 112.57 19.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.467 -0.938 . . . . 0.64 108.467 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.749 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 24.6 m-85 -63.2 165.7 7.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.757 0.823 . . . . 2.31 111.388 168.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.17 -50.33 0.7 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.961 2.104 . . . . 1.28 111.832 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -64.63 -22.7 67.04 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.889 -0.782 . . . . 1.35 108.889 161.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 58.63 41.11 22.67 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.122 1.369 . . . . 4.6 108.779 174.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.23 135.82 51.16 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.571 0.7 . . . . 2.98 112.332 -167.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.794 HD21 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -101.56 119.56 38.95 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 126.984 2.113 . . . . 1.52 106.145 -176.146 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.436 HG13 ' HG3' ' A' ' 5' ' ' ARG . 18.9 t -122.1 102.39 11.73 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.562 0 O-C-N 124.055 0.847 . . . . 0.94 110.182 173.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.4 t -104.38 113.6 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.408 -0.96 . . . . 0.51 108.408 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -97.16 113.54 25.13 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 105.804 -1.925 . . . . 2.49 105.804 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -138.0 142.53 40.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.453 1.101 . . . . 0.5 110.01 -168.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.48 58.83 2.84 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.534 -0.543 . . . . 1.97 109.534 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 166.49 158.76 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 128.07 2.548 . . . . 1.75 107.528 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -76.32 126.17 30.5 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 108.347 -0.983 . . . . 3.14 108.347 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.416 HD13 HG23 ' A' ' 56' ' ' VAL . 1.4 pp -139.54 21.98 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 123.276 0.631 . . . . 0.62 109.965 173.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -63.62 -48.43 77.35 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 120.767 -1.208 . . . . 3.06 111.933 -165.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.87 -34.18 62.7 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.749 0.656 . . . . 0.29 110.008 172.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -75.66 -39.52 57.5 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.36 -0.607 . . . . 2.75 109.36 -173.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.894 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 47.1 t -66.51 -54.62 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.075 0 N-CA-C 107.719 -1.215 . . . . 0.46 107.719 174.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -42.9 -56.55 3.22 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.605 0.762 . . . . 2.44 111.761 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.0 t -47.45 -43.6 24.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.072 0.463 . . . . 0.53 111.099 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.05 -48.93 72.05 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 122.849 0.46 . . . . 0.39 110.129 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -68.17 -39.67 82.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.913 0.485 . . . . 1.97 111.425 -175.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -50.13 68.56 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.423 -0.954 . . . . 2.35 108.423 173.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -67.57 -36.93 81.88 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.173 0.434 . . . . 4.51 112.173 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.08 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.956 0.902 . . . . 0.61 110.134 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.22 41.45 0.4 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 124.724 1.154 . . . . 0.76 111.781 168.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.495 ' HB3' HG12 ' A' ' 10' ' ' VAL . 9.2 m-85 -128.96 126.52 39.78 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 118.02 0.91 . . . . 2.2 109.558 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 m -83.65 117.75 23.39 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.713 -1.217 . . . . 1.47 107.713 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.41 ' HB3' HG13 ' A' ' 10' ' ' VAL . 4.0 pp -127.1 171.25 11.55 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.39 1.076 . . . . 0.79 109.862 173.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -139.09 125.84 20.81 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.82 -2.659 . . . . 4.31 103.82 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -41.89 109.65 0.14 Allowed 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.56 1.544 . . . . 3.53 110.465 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -102.36 158.59 16.09 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.857 0.837 . . . . 3.4 109.576 -174.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 122.22 1.01 . . . . 4.05 112.659 -179.222 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.0 m . . . . . 0 N--CA 1.448 -0.567 0 N-CA-C 106.989 -1.486 . . . . 1.85 106.989 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -101.2 114.29 28.12 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 113.676 -1.602 . . . . 3.57 108.126 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.77 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 9.9 m-85 -95.69 121.15 37.09 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 124.518 1.127 . . . . 2.18 110.58 176.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.3 m -98.5 152.45 19.53 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 123.79 0.681 . . . . 1.82 110.002 174.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.828 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -144.19 169.03 18.66 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.14 0.576 . . . . 1.22 111.175 159.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 126.05 51.74 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.243 1.817 . . . . 2.03 106.177 170.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.745 HG21 HD23 ' A' ' 44' ' ' LEU . 4.9 t -119.51 88.48 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 119.235 0.925 . . . . 2.29 110.599 -169.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 t -82.1 81.56 7.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.326 -0.99 . . . . 0.98 108.326 -163.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.85 -23.44 0.91 Allowed Glycine 0 CA--C 1.528 0.852 0 CA-C-N 115.159 -0.928 . . . . 0.87 111.665 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.9 ttp -73.25 76.73 1.32 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.386 1.093 . . . . 2.1 111.384 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -141.19 58.05 1.53 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.723 0.773 . . . . 3.04 111.422 171.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -146.0 141.32 27.58 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.595 -0.691 . . . . 2.63 109.464 168.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.45 69.28 0.15 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.949 1.7 . . . . 2.88 111.303 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 171.95 -43.96 0.01 OUTLIER 'General case' 0 C--O 1.236 0.363 0 C-N-CA 127.024 2.13 . . . . 1.01 108.959 -168.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.19 -48.53 56.77 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.681 -1.229 . . . . 1.77 107.681 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -50.53 -47.72 57.48 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.282 0.364 . . . . 0.74 111.032 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 52.3 mtt-85 -59.99 -48.06 83.27 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 120.366 -0.534 . . . . 3.31 110.245 175.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -46.11 63.68 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.184 -0.948 . . . . 4.05 110.1 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.044 HG11 HD21 ' A' ' 44' ' ' LEU . 90.2 t -58.96 -61.87 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 122.586 0.354 . . . . 0.94 111.011 174.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.0 pt-20 -59.35 -44.75 92.63 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 106.516 -1.661 . . . . 2.2 106.516 -166.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -65.8 -39.24 90.74 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 121.239 -0.913 . . . . 1.17 110.204 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.6 -19.37 48.46 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.962 0.727 . . . . 0.84 112.962 169.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 22' ' ' VAL . 63.2 t -88.25 -47.57 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 124.095 0.958 . . . . 1.56 109.439 171.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.6 mtm105 -64.17 -29.98 71.07 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 120.067 -1.646 . . . . 3.31 111.276 -173.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.411 ' HG3' HD23 ' A' ' 29' ' ' LEU . 3.0 pt20 -60.23 -16.83 37.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 117.989 -1.005 . . . . 0.7 113.477 178.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.411 HD23 ' HG3' ' A' ' 28' ' ' GLN . 2.0 mt -63.88 -104.97 0.0 OUTLIER 'General case' 0 C--N 1.344 0.344 0 CA-C-N 119.086 0.857 . . . . 0.51 110.769 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 175.49 -50.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.554 1.141 . . . . 0.34 109.146 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.15 -13.32 81.13 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 115.532 -0.758 . . . . 0.49 112.606 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.8 t -58.52 144.24 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 123.62 0.768 . . . . 0.61 109.087 168.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -120.2 -47.84 2.35 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 119.169 -0.444 . . . . 2.84 109.961 164.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -130.63 159.3 37.6 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.567 0.699 . . . . 1.42 109.451 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -156.33 137.74 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 107.303 -1.369 . . . . 1.37 107.303 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -136.54 98.54 3.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.564 -1.273 . . . . 1.75 107.564 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.4 m -93.92 131.52 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 C-N-CA 126.709 2.004 . . . . 1.68 105.664 175.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -132.51 116.14 16.37 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.928 -0.767 . . . . 0.41 108.928 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 56.7 m-85 -63.57 161.18 15.13 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 124.436 1.094 . . . . 2.9 111.838 172.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.08 -38.43 0.42 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 129.326 3.05 . . . . 1.3 111.095 175.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.1 m -75.82 -17.88 59.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.989 1.316 . . . . 1.1 109.901 164.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 45.92 43.56 10.39 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.228 1.411 . . . . 3.81 110.76 -171.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.02 129.65 45.31 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.411 -0.959 . . . . 1.25 108.411 -175.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.044 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -98.33 128.5 44.78 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 105.074 -2.195 . . . . 1.5 105.074 160.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 t -127.76 126.8 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 O-C-N 124.24 0.963 . . . . 0.64 109.402 155.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.8 t -115.55 133.2 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 124.855 1.262 . . . . 0.44 110.045 171.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -114.29 106.75 14.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.096 1.758 . . . . 2.94 106.374 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -138.96 121.48 16.18 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.494 1.118 . . . . 1.01 110.703 -170.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.51 59.94 5.75 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 124.918 1.287 . . . . 2.01 110.125 -174.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -174.3 -35.74 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.269 1.428 . . . . 2.76 111.468 175.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.7 t0 80.0 136.59 0.06 Allowed 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 128.964 2.906 . . . . 3.73 111.618 -171.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.471 HD13 HG23 ' A' ' 56' ' ' VAL . 1.2 pp -156.73 26.3 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 128.333 2.653 . . . . 0.66 110.145 -169.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -54.83 -49.55 70.76 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 121.266 1.848 . . . . 3.12 112.631 -173.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.36 -31.12 68.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 123.406 0.441 . . . . 0.31 110.523 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -51.3 37.29 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.673 -0.492 . . . . 3.0 109.673 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.828 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 45.3 t -65.45 -48.28 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 108.158 -1.053 . . . . 0.47 108.158 -177.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -50.78 -60.83 2.65 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 117.177 -1.392 . . . . 2.79 110.814 174.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -48.54 -47.2 39.43 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 120.501 1.5 . . . . 0.56 110.855 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.52 -51.75 68.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.709 0.404 . . . . 0.41 111.744 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.896 HD21 HG13 ' A' ' 22' ' ' VAL . 77.7 mt -62.89 -46.58 87.17 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.218 1.007 . . . . 1.1 110.565 -177.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.45 -52.78 34.94 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.11 0.964 . . . . 3.45 108.689 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -63.8 -42.45 97.72 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 121.108 -0.237 . . . . 4.3 111.527 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -40.04 81.21 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 123.826 0.85 . . . . 0.52 110.685 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.98 57.7 0.15 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.677 -0.969 . . . . 0.92 110.677 172.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -128.88 177.6 6.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.0 0.92 . . . . 2.09 108.565 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 p -136.07 125.97 25.84 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.469 -1.308 . . . . 2.13 107.469 172.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.06 168.32 20.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.411 1.084 . . . . 1.64 110.133 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.27 121.27 16.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.254 -3.239 . . . . 5.17 102.254 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -61.52 100.45 0.14 Allowed 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 122.955 1.36 . . . . 2.73 111.965 -167.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -81.05 163.18 23.4 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 113.961 -1.472 . . . . 3.39 110.379 -166.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 . . . . . 0 N--CA 1.447 -0.618 0 CA-C-N 115.214 -0.903 . . . . 5.44 110.615 177.011 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.402 ' HB ' ' CE1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER . . . . . 0 CA--C 1.521 -0.167 0 N-CA-C 108.829 -0.804 . . . . 0.98 108.829 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.8 138.33 47.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.027 1.331 . . . . 3.68 109.017 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.484 ' HB2' ' CH2' ' A' ' 8' ' ' TRP . 9.9 m-85 -139.33 148.39 42.85 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 117.59 -1.195 . . . . 1.77 112.464 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -122.81 154.91 37.59 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.896 1.225 . . . . 2.65 113.506 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.821 ' CE3' HG11 ' A' ' 56' ' ' VAL . 10.2 m-90 -134.7 152.01 51.44 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 127.034 2.134 . . . . 3.01 108.389 170.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -103.95 82.92 2.04 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.092 1.357 . . . . 2.55 108.326 -171.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.39 90.65 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-O 121.835 0.826 . . . . 2.3 110.29 -155.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.54 95.44 9.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 106.712 -1.588 . . . . 0.92 106.712 -174.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.3 -27.22 0.88 Allowed Glycine 0 CA--C 1.526 0.739 0 CA-C-N 114.409 -1.269 . . . . 1.08 110.031 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 22' ' ' VAL . 27.4 ttp -69.88 85.82 0.51 Allowed 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 122.124 -0.633 . . . . 1.99 110.016 173.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.45 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 60.7 t0 -130.56 77.73 1.8 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.975 0.51 . . . . 3.4 110.432 167.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.64 140.6 0.1 Allowed 'General case' 0 C--N 1.34 0.155 0 C-N-CA 125.123 1.369 . . . . 2.75 108.382 171.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.74 94.45 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.409 1.004 . . . . 2.06 112.028 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.92 -32.2 71.7 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.746 -0.596 . . . . 0.98 111.28 174.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.3 m -83.12 -32.42 26.71 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.392 1.077 . . . . 2.31 109.094 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.66 -43.43 72.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.877 -0.515 . . . . 0.57 109.847 168.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.452 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 16.1 mtt85 -55.74 -45.49 78.02 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 121.061 -1.024 . . . . 3.51 111.818 172.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -35.4 22.22 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.571 -1.331 . . . . 3.69 112.369 175.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 13' ' ' MET . 94.4 t -67.01 -55.41 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 119.592 1.087 . . . . 0.64 112.101 175.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.6 pt-20 -61.09 -41.81 97.34 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 106.977 -1.49 . . . . 1.99 106.977 -176.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 12.4 m-80 -67.62 -35.54 79.12 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.601 -1.312 . . . . 0.52 109.515 -175.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.96 -30.11 58.27 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-O 118.312 -0.851 . . . . 0.66 112.42 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.533 HG12 ' CG2' ' A' ' 56' ' ' VAL . 16.1 m -93.2 -38.89 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 119.648 1.113 . . . . 2.08 112.457 174.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -61.21 -31.07 70.84 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.201 -0.937 . . . . 2.64 109.764 -174.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -67.68 -14.03 62.6 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.998 1.11 . . . . 0.61 113.998 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.15 -113.66 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.284 0.947 . . . . 0.47 109.435 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.99 -48.46 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 124.701 1.201 . . . . 0.39 108.55 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.78 -5.33 86.54 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 115.859 -0.609 . . . . 0.46 113.588 -172.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.446 HG21 ' HB ' ' A' ' 26' ' ' VAL . 44.4 t -67.21 132.19 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.858 0.863 . . . . 0.56 108.697 173.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -99.14 -53.71 3.17 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.237 -1.023 . . . . 1.95 108.237 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -154.05 141.65 19.87 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.088 -1.449 . . . . 1.51 107.088 -168.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -131.99 135.16 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.364 1.466 . . . . 1.67 108.025 -172.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.428 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 6.4 mt-30 -114.99 86.79 2.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.898 1.279 . . . . 1.95 107.799 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.4 93.19 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 125.133 1.373 . . . . 1.94 107.634 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.19 74.41 3.4 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 105.744 -1.947 . . . . 0.61 105.744 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 3.8 t80 -63.56 85.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 114.297 -1.32 . . . . 3.36 108.294 169.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.14 -41.6 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 129.294 3.038 . . . . 2.32 107.65 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -110.28 23.31 14.45 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.659 0.784 . . . . 1.16 112.081 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 40.02 45.67 1.66 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.783 1.633 . . . . 4.56 110.731 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.91 133.08 37.3 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 103.138 -2.912 . . . . 1.68 103.138 -169.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 44' ' ' LEU . 1.2 mt -96.28 144.44 26.46 Favored 'General case' 0 N--CA 1.414 -2.236 0 O-C-N 125.103 1.502 . . . . 1.42 108.392 156.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.428 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 2.2 t -122.84 146.77 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 108.37 -0.974 . . . . 0.83 108.37 148.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -135.47 107.0 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 127.59 2.356 . . . . 1.06 105.425 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.8 108.14 20.36 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.026 -1.101 . . . . 2.27 108.026 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.73 150.64 43.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.212 1.005 . . . . 0.59 111.036 -167.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.38 59.26 1.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.008 1.323 . . . . 2.01 108.814 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.41 166.85 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.309 2.243 . . . . 1.78 109.859 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -91.8 81.87 5.21 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.563 2.345 . . . . 4.57 110.913 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -106.77 16.8 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.185 0.994 . . . . 0.66 112.437 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HD2' ' CD1' ' A' ' 6' ' ' TYR . 5.4 mtp-105 -70.34 -44.4 68.25 Favored 'General case' 0 CA--C 1.507 -0.675 0 O-C-N 120.629 -1.294 . . . . 3.13 111.037 -160.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.32 67.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.745 -0.465 . . . . 0.37 109.745 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -41.08 73.79 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 120.95 -1.094 . . . . 2.52 108.231 174.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.821 HG11 ' CE3' ' A' ' 8' ' ' TRP . 1.2 t -57.5 -56.2 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 108.786 -0.82 . . . . 1.65 108.786 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -48.85 80.04 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.803 -1.184 . . . . 3.26 107.803 -167.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.7 t -51.32 -49.23 61.76 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.464 0.478 . . . . 0.74 110.248 176.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.74 -52.92 63.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.155 0.582 . . . . 0.38 112.144 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.566 HD12 HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -60.86 -44.35 97.15 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.502 0.667 . . . . 1.12 110.191 -178.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.06 -49.41 77.45 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.049 -0.723 . . . . 2.27 109.049 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.62 -43.75 97.14 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 123.244 0.34 . . . . 6.61 111.187 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.52 -40.44 65.45 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.786 0.834 . . . . 0.6 110.716 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.91 55.68 0.11 Allowed Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.718 -0.953 . . . . 0.49 110.718 167.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -131.12 168.65 17.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.325 0.65 . . . . 1.92 110.285 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.2 p -117.64 135.79 53.75 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 105.926 -1.879 . . . . 2.35 105.926 168.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.472 HD13 ' HD1' ' A' ' 8' ' ' TRP . 3.5 pp -141.15 165.42 27.57 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.441 -1.689 . . . . 1.28 106.441 176.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -135.63 126.78 28.07 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 104.413 -2.439 . . . . 4.43 104.413 165.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.79 107.7 0.08 Allowed 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.225 1.41 . . . . 3.18 111.964 177.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.9 171.78 8.56 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 107.203 -1.406 . . . . 2.3 107.203 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 . . . . . 0 N--CA 1.447 -0.594 0 CA-C-O 122.217 1.008 . . . . 4.41 110.536 -167.401 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.9 m . . . . . 0 CA--C 1.511 -0.537 0 CA-C-O 121.961 0.886 . . . . 1.28 111.766 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.413 ' CG ' HG13 ' A' ' 45' ' ' VAL . 17.4 ttm180 -96.08 127.02 41.71 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 112.866 -1.97 . . . . 3.24 107.377 177.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.652 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 7.5 m-85 -105.41 123.55 48.06 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 127.422 2.289 . . . . 2.34 111.963 170.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 m -100.53 150.36 22.76 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 118.62 0.645 . . . . 1.93 109.57 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.881 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -136.56 161.34 36.16 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.497 1.519 . . . . 1.13 109.051 165.476 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -111.4 110.03 20.29 Favored 'General case' 0 C--N 1.338 0.078 0 N-CA-C 106.132 -1.803 . . . . 2.04 106.132 174.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.408 HG21 HD23 ' A' ' 44' ' ' LEU . 1.5 t -98.8 174.41 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.417 -0.957 . . . . 1.27 108.417 -177.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.8 111.04 4.88 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.251 -0.905 . . . . 0.89 108.894 169.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.94 -24.17 4.31 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.901 0.762 . . . . 1.02 112.599 172.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.2 tmm? -69.12 85.79 0.37 Allowed 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.82 -0.812 . . . . 2.12 109.718 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -147.52 65.35 1.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.05 0.453 . . . . 3.27 111.713 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 m -141.59 -91.71 0.14 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.015 0.526 . . . . 2.31 111.845 172.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.33 -66.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.865 0.866 . . . . 2.2 109.026 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.51 62.56 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.841 0.456 . . . . 0.96 110.893 176.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -69.17 -40.2 78.27 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.902 -0.777 . . . . 2.96 108.902 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -61.03 -41.49 96.66 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 118.073 0.397 . . . . 0.61 110.17 176.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -61.41 -53.38 57.37 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 118.443 -1.303 . . . . 2.59 110.817 172.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -48.86 -39.48 25.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 121.07 -1.018 . . . . 3.88 111.777 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.962 HG11 HD21 ' A' ' 44' ' ' LEU . 55.0 t -58.61 -63.11 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 118.597 0.635 . . . . 0.49 112.51 170.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.586 ' O ' HG22 ' A' ' 26' ' ' VAL . 12.1 pt-20 -59.02 -41.15 87.04 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 107.376 -1.342 . . . . 1.77 107.376 -170.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -66.07 -32.91 74.66 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.403 1.081 . . . . 0.61 110.944 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.61 -21.4 26.65 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 118.42 -0.8 . . . . 0.47 111.865 168.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.611 HG12 HG13 ' A' ' 56' ' ' VAL . 3.9 m -103.82 -42.26 7.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.259 0 CA-C-N 118.983 0.81 . . . . 1.93 113.021 177.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -60.83 -24.98 66.29 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.261 -0.899 . . . . 2.63 110.94 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -69.34 -14.21 62.8 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 118.663 -0.684 . . . . 0.5 112.687 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -112.49 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.094 0.958 . . . . 0.7 109.481 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.09 -47.76 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 125.007 1.323 . . . . 0.43 108.647 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.84 -20.37 65.72 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.739 -0.664 . . . . 0.49 113.399 -172.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.86 134.15 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 123.532 0.733 . . . . 0.46 109.259 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -103.16 -57.71 2.0 Allowed 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 107.492 -1.299 . . . . 2.16 107.492 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -132.61 161.59 33.48 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 106.732 -1.581 . . . . 1.35 106.732 -172.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -156.85 141.6 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 107.625 -1.25 . . . . 1.45 107.625 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -135.78 104.03 5.61 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 107.759 -1.2 . . . . 1.71 107.759 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.37 123.2 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 127.193 2.197 . . . . 1.59 105.611 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.9 tp -118.73 116.91 27.54 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.025 -0.732 . . . . 0.58 109.025 -175.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 22.4 m-85 -64.81 165.27 10.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.029 0.932 . . . . 2.76 112.09 171.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.23 -49.22 0.64 Allowed 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 126.548 1.939 . . . . 1.3 111.755 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -84.89 9.15 15.13 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.3 1.44 . . . . 0.96 112.047 177.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 32.72 42.28 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.382 2.273 . . . . 4.52 114.159 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.66 132.7 50.59 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.384 -0.598 . . . . 1.31 109.384 -169.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.962 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -103.83 122.78 45.85 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 106.132 -1.803 . . . . 1.59 106.132 168.664 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.413 HG13 ' CG ' ' A' ' 5' ' ' ARG . 14.4 t -125.95 119.69 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 124.153 0.908 . . . . 0.71 109.228 163.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.9 t -116.61 131.31 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 124.556 1.142 . . . . 0.49 109.413 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.14 99.59 7.34 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 125.456 1.503 . . . . 3.14 107.832 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.525 ' HB3' ' HE2' ' A' ' 6' ' ' TYR . . . -123.34 175.92 6.43 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.039 0.936 . . . . 1.03 110.401 -175.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.97 53.38 1.71 Allowed 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.272 1.029 . . . . 1.76 109.713 -175.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.469 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 13.4 p-10 -177.29 -41.92 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.501 -0.749 . . . . 2.86 112.926 -169.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.254 9.3 t0 81.59 121.46 0.05 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 127.856 2.462 . . . . 3.36 110.795 -172.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.464 HD13 HG23 ' A' ' 56' ' ' VAL . 1.5 pp -149.27 31.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 C-N-CA 125.58 1.552 . . . . 0.58 107.247 -175.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.0 mtm-85 -61.96 -47.75 83.44 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 121.36 -0.837 . . . . 2.61 111.288 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.99 59.49 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.543 0.527 . . . . 0.29 110.868 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -76.27 -44.14 38.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.083 -0.71 . . . . 2.63 109.083 -175.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.881 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 52.4 t -65.15 -48.19 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 107.993 -1.114 . . . . 0.39 107.993 178.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -47.1 -60.22 2.61 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.102 -0.952 . . . . 2.3 111.02 171.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 t -47.94 -45.76 31.42 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.276 0.944 . . . . 0.56 110.355 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 -54.49 44.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.279 0.474 . . . . 0.41 112.279 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.646 HD12 HG12 ' A' ' 56' ' ' VAL . 7.3 mt -60.03 -45.2 93.59 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.786 0.835 . . . . 1.03 111.154 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.24 -51.41 68.22 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.848 -0.797 . . . . 2.32 108.848 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -66.82 -37.38 84.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.996 -0.282 . . . . 3.98 111.512 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.03 79.6 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 124.06 0.944 . . . . 0.68 110.37 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.4 43.39 0.29 Allowed Glycine 0 C--N 1.336 0.534 0 C-N-CA 124.08 0.848 . . . . 0.54 111.547 167.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -130.93 125.67 34.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.732 -0.84 . . . . 1.91 108.732 175.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -80.56 119.47 23.26 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 106.349 -1.722 . . . . 1.5 106.349 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.476 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.8 pp -119.38 -179.16 3.78 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.447 0.699 . . . . 0.79 109.456 170.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -134.79 140.45 45.9 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 104.129 -2.545 . . . . 5.33 104.129 165.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.96 128.68 38.1 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.204 -1.776 . . . . 3.42 106.204 168.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.56 176.5 5.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 124.435 1.084 . . . . 2.71 109.787 168.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.451 -0.389 0 CA-C-O 121.523 0.678 . . . . 3.43 109.969 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.3 m . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 110.613 -0.143 . . . . 0.89 110.613 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -96.34 119.23 34.45 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 124.744 1.277 . . . . 3.17 108.967 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.817 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 22.0 m-85 -107.31 132.02 53.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 117.614 -1.184 . . . . 2.22 113.298 170.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.0 t -109.18 151.37 26.56 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 124.556 1.142 . . . . 2.05 110.697 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.896 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.3 m-90 -143.93 169.57 17.55 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.292 1.437 . . . . 1.11 112.093 169.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -117.61 96.94 5.61 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.999 1.719 . . . . 1.87 108.26 -173.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.08 114.96 38.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 123.314 0.646 . . . . 1.45 109.698 -166.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -114.37 77.53 1.07 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.304 -0.628 . . . . 1.09 109.304 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.3 -35.74 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.377 -0.689 . . . . 1.0 111.377 -176.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -67.04 95.1 0.37 Allowed 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 122.144 -0.621 . . . . 2.28 110.411 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.513 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 31.8 t0 -140.93 85.35 1.98 Allowed 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 123.448 0.467 . . . . 3.75 110.037 170.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.64 140.78 0.06 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.16 1.384 . . . . 2.47 108.918 167.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 61.61 0.66 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.855 1.262 . . . . 2.73 110.946 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.57 -51.33 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 127.263 2.225 . . . . 1.13 107.495 -172.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 m -68.6 -30.37 69.09 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.692 -0.855 . . . . 2.41 108.692 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.09 -56.46 7.74 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.817 0.447 . . . . 0.75 110.927 166.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 17.5 mtt-85 -56.26 -42.86 78.08 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 121.706 -0.622 . . . . 3.86 110.734 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.53 -37.3 3.44 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.139 0.427 . . . . 2.86 111.458 178.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.152 HG11 HD21 ' A' ' 44' ' ' LEU . 39.8 t -66.51 -57.87 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 118.589 0.631 . . . . 0.83 112.158 175.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 8.8 pt-20 -56.63 -40.53 75.55 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 106.888 -1.523 . . . . 2.01 106.888 -174.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -69.44 -36.63 76.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.388 -0.82 . . . . 0.53 110.658 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.31 -21.46 35.13 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.398 1.079 . . . . 0.47 112.238 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.7 m -107.14 -36.54 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 119.07 0.85 . . . . 1.92 113.05 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -57.25 -27.46 62.09 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.046 0.938 . . . . 2.39 109.972 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -72.56 -14.74 61.7 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.615 0.969 . . . . 0.59 113.615 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -111.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.928 0.891 . . . . 0.62 110.251 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.15 -52.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.752 1.221 . . . . 0.37 108.207 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.69 -24.13 70.82 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-N 115.339 -0.846 . . . . 0.62 112.591 -173.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -55.41 121.78 3.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 124.537 1.135 . . . . 0.71 110.051 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -98.05 -52.78 3.58 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.694 -0.854 . . . . 2.08 108.694 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -152.31 117.52 5.23 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.549 -0.908 . . . . 1.67 108.549 -167.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -112.65 135.93 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.327 1.451 . . . . 1.48 108.257 -177.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -118.7 109.01 15.6 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.713 -1.218 . . . . 2.68 107.713 170.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 m -94.57 103.97 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 106.696 -1.594 . . . . 1.55 106.696 171.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.6 tp -98.12 80.9 2.74 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 105.419 -2.067 . . . . 0.49 105.419 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.513 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.6 t80 -62.99 82.78 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 113.949 -1.478 . . . . 3.36 108.276 172.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.0 -42.37 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 127.37 2.268 . . . . 1.85 109.448 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -106.87 31.79 5.05 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.919 0.888 . . . . 1.25 110.154 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 37.71 28.68 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.068 2.547 . . . . 5.37 114.195 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.5 129.39 55.56 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.165 -1.42 . . . . 1.33 107.165 -164.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 1.152 HD21 HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -106.3 125.16 50.66 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 116.574 -1.679 . . . . 1.3 106.865 165.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.6 t -127.13 136.48 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 O-C-N 124.299 0.999 . . . . 0.67 111.267 165.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.2 t -133.61 113.67 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 106.6 -1.63 . . . . 0.53 106.6 -176.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.69 112.67 24.46 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.821 -1.548 . . . . 2.58 106.821 174.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.07 143.26 44.54 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.692 1.197 . . . . 0.59 111.54 -168.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -83.92 58.96 4.97 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.322 1.049 . . . . 2.51 109.71 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.02 158.49 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.063 2.145 . . . . 1.76 108.639 173.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.18 122.1 23.84 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.333 -0.547 . . . . 3.21 109.754 169.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.495 HD13 HG23 ' A' ' 56' ' ' VAL . 2.2 pp -143.42 31.77 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.622 -0.881 . . . . 0.53 108.622 177.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 38.9 mtm-85 -64.74 -49.11 72.08 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 121.479 -0.763 . . . . 2.87 110.256 -171.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.07 -30.59 62.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 123.698 0.623 . . . . 0.29 110.41 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -50.76 26.66 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.63 -0.508 . . . . 3.2 109.63 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.896 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 65.4 t -61.8 -49.09 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 107.797 -1.186 . . . . 0.43 107.797 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -50.16 -57.26 8.12 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 117.618 -1.182 . . . . 2.74 110.935 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -52.75 -44.24 66.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.531 1.514 . . . . 0.69 110.706 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.12 -50.08 74.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.642 0.377 . . . . 0.26 111.395 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.742 HD21 HG13 ' A' ' 22' ' ' VAL . 80.0 mt -65.37 -41.61 93.6 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.687 0.795 . . . . 1.06 110.844 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -51.04 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.621 0.768 . . . . 2.43 109.191 174.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -60.79 -47.32 86.87 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.494 0.183 . . . . 6.37 111.494 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.2 67.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.819 0.847 . . . . 0.51 111.058 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.46 50.81 0.17 Allowed Glycine 0 CA--C 1.523 0.576 0 C-N-CA 124.468 1.033 . . . . 0.72 111.274 169.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -131.11 148.17 52.7 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 117.514 0.657 . . . . 2.1 110.848 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 p -104.21 132.09 50.82 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.239 1.415 . . . . 2.32 107.742 173.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -155.96 165.34 36.75 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.25 2.22 . . . . 1.48 107.255 179.814 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -142.07 72.03 1.37 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 118.138 -0.934 . . . . 3.88 109.663 -169.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t0 9.91 74.21 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.253 2.221 . . . . 3.19 114.399 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -77.25 156.72 31.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.97 0.891 . . . . 3.05 109.178 -170.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 . . . . . 0 N--CA 1.448 -0.553 0 CA-C-N 115.379 -0.828 . . . . 5.73 111.042 179.23 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 m . . . . . 0 C--O 1.234 0.24 0 CA-C-O 120.491 0.186 . . . . 0.89 110.936 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -99.24 118.28 35.59 Favored 'General case' 0 N--CA 1.439 -1.008 0 O-C-N 124.783 1.302 . . . . 3.28 108.969 177.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.642 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 16.5 m-85 -97.75 148.7 23.1 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 124.47 1.108 . . . . 2.01 112.728 166.801 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.473 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 20.0 m -125.64 150.46 47.56 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.098 0.959 . . . . 2.04 110.232 174.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.802 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -136.91 169.89 17.01 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.468 1.507 . . . . 1.06 108.128 170.727 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.28 126.83 53.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 104.35 -2.463 . . . . 1.94 104.35 170.145 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.1 t -120.75 147.74 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 120.271 1.396 . . . . 1.05 107.366 -176.529 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.74 102.56 5.72 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.745 -1.576 . . . . 1.06 106.745 175.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.32 -25.64 0.88 Allowed Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.656 -0.525 . . . . 1.0 113.187 173.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.85 69.85 0.71 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.341 1.07 . . . . 1.96 112.731 179.366 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 5.6 m-20 -108.82 58.47 0.61 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.765 0.426 . . . . 4.66 111.591 -176.432 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -170.57 149.38 3.22 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.937 -0.477 . . . . 2.35 111.463 168.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 60.62 1.29 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.389 1.076 . . . . 2.69 111.548 178.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.36 -54.77 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 126.725 2.01 . . . . 1.3 107.056 -175.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.4 m -63.54 -34.5 77.93 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.335 -0.987 . . . . 2.35 108.335 170.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.34 -41.35 19.22 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.537 0.735 . . . . 1.02 111.922 167.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.62 -47.0 34.61 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 118.902 0.774 . . . . 2.68 109.13 175.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -49.38 -35.77 19.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.103 0.865 . . . . 3.46 112.325 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.9 t -54.07 -61.01 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 123.887 0.875 . . . . 0.57 110.744 170.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.76 -37.94 87.73 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 119.603 -0.839 . . . . 2.18 108.892 -175.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -65.74 -34.48 78.27 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 120.709 -1.244 . . . . 0.59 110.175 -177.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.5 -20.92 49.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.059 0.544 . . . . 0.38 112.462 170.104 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 56' ' ' VAL . 48.3 t -100.72 -44.89 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 125.832 1.653 . . . . 1.72 109.668 -177.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -61.94 -32.96 73.43 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 120.693 -1.254 . . . . 2.7 109.92 -175.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.05 -13.59 17.74 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.733 1.383 . . . . 0.68 114.733 175.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.81 -115.66 0.0 OUTLIER 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.659 1.118 . . . . 0.84 110.404 177.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.53 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.157 0.503 . . . . 0.34 109.831 -176.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -19.67 79.76 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 115.61 -0.723 . . . . 0.38 112.309 -176.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.92 142.67 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.694 1.198 . . . . 0.48 109.557 172.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -127.58 -43.54 1.57 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 119.069 -0.491 . . . . 2.89 111.063 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -134.12 150.13 51.12 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.432 -0.951 . . . . 1.32 108.432 -177.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.4 t -142.72 143.0 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 124.051 0.94 . . . . 2.48 108.507 -175.593 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.408 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 21.9 mt-30 -134.69 89.9 2.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.787 1.635 . . . . 1.69 108.961 -175.732 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.404 HG22 HD21 ' A' ' 44' ' ' LEU . 6.1 t -91.69 100.45 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 125.903 1.681 . . . . 2.23 108.948 173.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -98.26 71.41 2.08 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 106.243 -1.762 . . . . 0.58 106.243 172.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -52.77 117.62 3.06 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 106.257 -1.757 . . . . 3.46 106.257 160.64 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 127.04 -33.27 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 128.974 2.91 . . . . 1.59 110.106 -171.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m -117.49 5.06 12.44 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.445 0.698 . . . . 1.01 110.372 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 49.49 37.82 13.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.66 1.584 . . . . 3.68 113.515 169.597 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.01 125.93 36.52 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 105.284 -2.117 . . . . 1.37 105.284 -178.756 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -98.79 140.55 32.82 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 105.714 -1.958 . . . . 1.45 105.714 178.027 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.408 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 36.8 t -125.4 144.54 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 118.492 0.587 . . . . 0.7 110.686 163.661 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.6 t -139.97 117.89 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 107.313 -1.366 . . . . 0.38 107.313 -178.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -98.56 109.54 22.28 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.41 -1.7 . . . . 2.08 106.41 174.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.23 125.49 13.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.276 1.03 . . . . 0.92 109.347 -169.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -88.22 58.07 4.58 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.705 -0.479 . . . . 2.38 109.705 -168.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 175.23 175.71 0.21 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 127.071 2.148 . . . . 1.63 108.44 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -88.08 107.67 18.87 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.894 1.678 . . . . 4.89 110.336 175.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.85 19.25 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 O-C-N 121.491 -0.756 . . . . 0.61 112.655 175.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -63.22 -48.58 77.7 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.678 -1.264 . . . . 3.48 110.65 -170.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.95 -32.98 64.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 123.972 0.795 . . . . 0.28 110.76 172.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -75.59 -45.85 35.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.184 -0.673 . . . . 2.79 109.184 -175.024 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.802 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 42.4 t -65.82 -46.54 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 N-CA-C 109.142 -0.688 . . . . 0.43 109.142 178.416 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -48.97 -60.59 2.64 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 117.643 -1.17 . . . . 2.45 110.66 170.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -46.73 -47.84 20.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.768 1.167 . . . . 0.55 110.72 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.12 81.97 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.604 0.762 . . . . 0.3 112.498 178.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.455 HD12 HG12 ' A' ' 56' ' ' VAL . 22.2 mt -69.49 -44.84 70.28 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.8 0.84 . . . . 1.01 110.048 -177.609 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -55.55 26.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.94 -0.763 . . . . 2.27 108.94 175.579 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -19.7 62.22 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.987 -0.445 . . . . 5.31 112.039 -178.376 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.73 -19.7 65.81 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.228 -0.92 . . . . 0.47 111.768 167.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.03 51.29 1.01 Allowed Glycine 0 C--N 1.338 0.64 0 N-CA-C 110.735 -0.946 . . . . 0.57 110.735 175.152 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -132.7 176.68 8.25 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.829 0.852 . . . . 1.95 108.884 171.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.7 m -126.32 137.81 53.52 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.174 -1.417 . . . . 1.68 107.174 166.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.511 HD12 ' C ' ' A' ' 67' ' ' LEU . 2.9 pp -144.34 176.17 9.56 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.505 1.122 . . . . 0.77 108.492 173.051 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.73 151.82 51.89 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.129 -1.804 . . . . 4.41 106.129 162.426 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -81.64 90.77 6.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.147 0.979 . . . . 2.53 111.134 -168.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.61 157.82 33.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 120.917 -1.115 . . . . 2.6 113.565 -173.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 . . . . . 0 C--N 1.323 -0.544 0 C-N-CA 125.128 1.371 . . . . 5.79 112.581 169.266 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.081 -0.711 . . . . 1.03 109.081 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 ttm105 -114.19 135.54 53.93 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.8 1.24 . . . . 3.53 108.24 170.567 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.686 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.0 m-85 -118.27 142.9 47.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.33 1.452 . . . . 1.99 111.668 171.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.416 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 6.7 m -122.14 146.4 47.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.12 1.368 . . . . 2.13 110.064 -177.27 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.88 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.1 m-90 -137.47 158.67 43.9 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.96 0.904 . . . . 1.06 110.49 172.269 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 121.34 43.72 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 104.914 -2.254 . . . . 2.13 104.914 167.638 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -107.22 163.47 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 N-CA-C 107.525 -1.287 . . . . 1.07 107.525 175.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.18 101.16 3.58 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.665 -1.235 . . . . 0.92 107.665 173.543 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.96 -40.45 0.8 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.617 -0.593 . . . . 0.84 111.617 177.166 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 22' ' ' VAL . 15.1 ptt? -72.1 104.82 3.72 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 119.145 -0.455 . . . . 1.93 109.892 -177.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -155.51 66.09 0.62 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.654 0.661 . . . . 2.83 110.892 168.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 m -145.0 -94.81 0.1 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.076 0.551 . . . . 2.28 110.657 175.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.89 -59.01 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.445 1.098 . . . . 1.99 109.079 -175.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.13 -40.54 61.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.371 0.605 . . . . 0.94 110.872 173.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.5 m -70.1 -34.01 72.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.863 -0.792 . . . . 1.81 108.863 -178.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.747 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -58.7 -46.02 88.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.075 -0.713 . . . . 0.68 109.075 176.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 33.0 mtt180 -63.0 -52.6 62.34 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.36 -0.936 . . . . 3.31 109.73 176.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -47.49 -40.46 18.53 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.328 -0.858 . . . . 4.67 112.59 179.034 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' SD ' ' A' ' 13' ' ' MET . 68.3 t -62.18 -60.39 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 124.683 1.193 . . . . 0.62 110.918 174.058 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.5 pt-20 -58.85 -44.49 91.03 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.818 -1.179 . . . . 2.02 107.818 -173.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.437 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 8.7 m-80 -60.18 -40.4 89.84 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.421 1.089 . . . . 1.02 109.268 -177.598 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -22.35 30.47 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.044 0.757 . . . . 0.57 113.044 172.223 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -92.52 -45.93 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.484 1.114 . . . . 1.57 110.174 171.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -61.68 -29.39 70.05 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 120.265 -1.522 . . . . 3.43 110.679 -172.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -60.87 -13.36 15.13 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.756 1.021 . . . . 1.26 113.756 176.669 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.81 -123.07 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.482 1.037 . . . . 0.71 109.284 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.66 -49.03 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 123.738 0.815 . . . . 0.29 109.253 -177.05 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.49 -13.17 83.81 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 115.905 -0.589 . . . . 0.44 112.718 -177.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.0 t -53.54 137.56 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.513 0.725 . . . . 0.6 110.084 167.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.55 -48.99 3.65 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.24 -1.022 . . . . 2.14 108.24 173.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -160.72 154.41 22.36 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.903 -1.517 . . . . 1.25 106.903 -168.379 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.06 145.13 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 124.426 1.09 . . . . 2.08 108.95 -169.322 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.43 99.08 5.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.7 0.8 . . . . 3.72 110.6 173.297 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.416 HG22 HD21 ' A' ' 44' ' ' LEU . 9.9 t -93.43 116.98 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 126.46 1.904 . . . . 2.08 106.819 167.544 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.7 tp -128.44 115.69 18.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.768 -1.568 . . . . 0.69 106.768 174.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 40.8 m-85 -66.67 169.57 7.62 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.446 0.698 . . . . 2.35 111.371 174.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 78.32 -46.5 0.43 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 127.477 2.311 . . . . 1.19 109.637 174.394 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m -74.48 -16.22 60.86 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.783 -0.451 . . . . 0.98 109.783 166.141 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.84 42.95 16.79 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.921 1.289 . . . . 3.89 110.839 -178.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 130.74 53.05 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 106.843 -1.54 . . . . 1.29 106.843 -171.046 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.513 ' HA ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -101.24 138.92 37.62 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.132 -1.062 . . . . 1.17 108.132 178.366 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.1 t -126.37 147.13 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 O-C-N 124.264 0.977 . . . . 0.68 110.492 160.258 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.5 t -136.9 120.31 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 C-N-CA 125.159 1.384 . . . . 0.43 107.592 176.298 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.74 116.66 33.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.755 1.222 . . . . 2.36 107.843 176.21 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -146.66 151.15 36.78 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.304 1.442 . . . . 0.68 109.931 -167.438 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.94 52.46 0.82 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.128 0.966 . . . . 2.25 111.272 -174.492 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 167.87 165.34 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 104.942 -2.244 . . . . 2.53 104.942 -169.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -93.41 130.12 39.32 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 120.44 1.473 . . . . 3.3 109.708 170.262 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.402 HD13 HG23 ' A' ' 56' ' ' VAL . 1.7 pp -143.25 32.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 124.04 0.838 . . . . 0.48 109.581 173.552 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 mtm-85 -66.07 -48.26 71.56 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.975 -1.078 . . . . 2.78 110.366 -172.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.48 -35.14 52.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.841 0.713 . . . . 0.32 110.409 171.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -42.45 43.54 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.564 -0.532 . . . . 2.63 109.564 -174.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.88 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 54.7 t -63.98 -51.64 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 N-CA-C 107.863 -1.162 . . . . 0.41 107.863 176.576 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -44.72 -60.13 2.17 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 118.042 -0.98 . . . . 2.41 110.613 174.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.8 t -46.34 -47.89 18.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.853 0.751 . . . . 0.57 110.451 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.82 53.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 112.589 0.589 . . . . 0.33 112.589 178.024 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.577 HD12 HG12 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -57.24 -47.17 82.05 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 119.607 1.094 . . . . 1.18 111.837 177.553 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -49.92 71.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.128 -0.942 . . . . 2.23 108.943 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -63.86 -42.6 97.51 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.537 -0.301 . . . . 3.96 111.145 177.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.47 -36.74 74.19 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.23 1.012 . . . . 0.5 111.121 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.66 54.56 0.16 Allowed Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.279 0.942 . . . . 0.7 110.994 170.391 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.523 ' CD2' HD23 ' A' ' 60' ' ' LEU . 48.1 m-85 -138.19 146.02 42.18 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.508 0.723 . . . . 2.11 109.633 177.535 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 p -94.99 124.71 39.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.297 -1.372 . . . . 2.14 107.297 168.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 67' ' ' LEU . 3.6 pp -138.23 174.78 10.19 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 108.766 -0.827 . . . . 0.82 108.766 168.109 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.95 105.07 4.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 104.682 -2.34 . . . . 4.43 104.682 -177.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -28.62 98.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.205 1.802 . . . . 3.44 112.679 179.093 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -85.28 155.4 21.38 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.623 0.725 . . . . 2.41 109.161 -174.506 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.409 0 C-N-CA 125.334 1.454 . . . . 3.75 110.429 168.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.516 -0.33 0 N-CA-C 109.026 -0.731 . . . . 1.08 109.026 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -97.29 127.88 43.64 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.201 -1.363 . . . . 3.61 109.38 -176.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.82 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 18.4 m-85 -117.18 125.48 51.26 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.712 1.205 . . . . 1.95 113.423 176.235 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -97.27 143.01 28.46 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.915 1.686 . . . . 2.13 111.048 176.026 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.82 ' HZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -141.15 169.05 18.35 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.635 0.774 . . . . 1.14 111.239 159.462 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.66 105.67 13.89 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.423 2.289 . . . . 2.03 105.771 -177.088 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.445 HG21 HD23 ' A' ' 44' ' ' LEU . 5.4 t -100.84 129.13 52.21 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 120.243 1.383 . . . . 1.28 108.843 -170.335 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.16 96.24 5.24 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.808 -1.182 . . . . 0.94 107.808 -177.366 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.88 -35.74 0.62 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.841 -0.904 . . . . 0.76 110.841 175.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -71.6 128.15 34.89 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 118.941 -0.552 . . . . 1.91 110.583 177.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -175.59 83.61 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.373 1.869 . . . . 3.03 108.699 162.014 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.64 -88.27 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.693 -0.629 . . . . 2.22 110.764 172.584 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.36 -57.72 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.179 0.992 . . . . 2.2 109.262 -177.409 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.46 -33.72 45.71 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.247 0.619 . . . . 1.26 110.943 173.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.8 m -72.92 -40.13 65.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.587 -0.894 . . . . 1.72 108.587 -177.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.9 -44.11 97.58 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.608 -0.516 . . . . 0.63 109.608 176.148 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 28.1 mtt85 -59.37 -52.01 67.47 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 118.572 -1.251 . . . . 3.04 110.811 172.766 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -45.83 -47.2 15.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.334 0.97 . . . . 2.79 111.678 176.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.706 ' CG1' HD21 ' A' ' 44' ' ' LEU . 47.6 t -57.96 -61.77 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 118.372 0.533 . . . . 0.8 111.594 175.361 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 26' ' ' VAL . 10.9 pt-20 -60.8 -41.75 96.27 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 106.445 -1.687 . . . . 2.07 106.445 -167.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -66.03 -36.83 84.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.507 1.123 . . . . 0.83 110.292 -179.131 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.1 47.06 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.109 -0.948 . . . . 0.44 112.492 170.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 23' ' ' GLU . 22.2 m -102.45 -38.14 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 119.694 1.133 . . . . 2.1 112.449 174.588 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -59.29 -27.92 66.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.368 1.067 . . . . 2.91 110.086 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.89 -13.82 62.16 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.358 0.873 . . . . 0.49 113.358 178.104 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -119.76 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.708 0.685 . . . . 0.56 109.748 178.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.57 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.769 0.828 . . . . 0.39 108.993 -175.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.68 -26.37 65.31 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 112.009 -0.436 . . . . 0.81 112.009 -176.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.4 t -56.49 138.29 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 124.664 1.186 . . . . 0.53 109.84 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -140.64 -46.48 0.41 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 119.048 -0.501 . . . . 2.71 111.843 177.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -125.02 80.46 1.88 Allowed 'General case' 0 C--O 1.227 -0.108 0 CA-C-O 122.316 1.055 . . . . 1.84 109.278 -174.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.53 140.35 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.67 -0.695 . . . . 1.41 109.837 173.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -129.8 105.56 8.1 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.098 -1.075 . . . . 2.17 108.098 166.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.7 t -93.47 118.46 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 105.832 -1.914 . . . . 2.02 105.832 174.498 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.4 tp -127.33 111.3 13.74 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.264 -0.643 . . . . 0.62 109.264 -178.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 39.9 m-85 -62.63 165.25 6.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.112 -0.949 . . . . 2.32 111.562 172.322 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.02 -45.51 0.53 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 127.917 2.487 . . . . 1.14 110.717 172.59 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.8 p -73.93 -17.49 61.01 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.88 -0.513 . . . . 2.18 110.654 162.257 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 52.32 44.01 30.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.298 1.039 . . . . 4.15 111.172 -178.705 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.86 129.41 51.35 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.134 -1.061 . . . . 1.3 108.134 -175.694 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.706 HD21 ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -97.26 120.99 38.64 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 104.928 -2.249 . . . . 1.41 104.928 164.108 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 t -123.38 128.31 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 O-C-N 123.995 0.809 . . . . 0.66 110.874 157.166 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.411 HG21 HG11 ' A' ' 26' ' ' VAL . 76.7 t -120.25 118.94 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 124.76 1.224 . . . . 0.48 108.035 173.844 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -97.66 119.8 36.89 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.263 -1.014 . . . . 3.43 108.263 168.058 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.46 140.58 37.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.481 1.112 . . . . 0.6 110.043 -170.608 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.51 58.8 4.86 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 121.06 0.457 . . . . 2.07 109.924 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 172.18 177.38 0.08 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 127.355 2.262 . . . . 1.71 108.072 176.177 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -87.23 127.03 35.17 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 108.29 -1.004 . . . . 3.15 108.29 162.138 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.404 HD13 ' CG2' ' A' ' 56' ' ' VAL . 1.5 pp -138.39 21.97 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.272 1.029 . . . . 0.78 110.449 168.272 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.92 -45.91 90.27 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.813 1.642 . . . . 3.21 111.381 -167.594 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.87 70.99 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 124.046 0.842 . . . . 0.27 109.921 175.227 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -72.27 -47.6 48.89 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 121.63 -0.668 . . . . 2.36 110.191 -178.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.765 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 53.7 t -65.41 -45.29 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 N-CA-C 107.578 -1.267 . . . . 0.41 107.578 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' CG ' HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -48.47 -58.17 5.05 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 118.798 -0.62 . . . . 3.08 110.834 174.566 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -53.69 -47.52 70.38 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.03 0.443 . . . . 0.64 110.049 -178.157 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.0 63.2 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.505 0.722 . . . . 0.43 112.24 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.94 -52.15 65.15 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.142 1.777 . . . . 2.11 109.447 177.802 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.32 -52.92 61.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.502 -0.925 . . . . 2.21 108.502 -178.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -58.5 -43.47 89.08 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.511 0.507 . . . . 3.69 111.165 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.77 -36.98 62.98 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.48 1.112 . . . . 0.71 110.599 -179.432 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.44 50.39 0.07 OUTLIER Glycine 0 C--N 1.335 0.525 0 N-CA-C 110.383 -1.087 . . . . 0.76 110.383 166.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -130.91 -173.91 3.22 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 122.434 1.111 . . . . 2.22 110.239 179.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.3 m -144.68 141.64 29.48 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 105.056 -2.202 . . . . 1.85 105.056 164.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.582 HD13 ' CD1' ' A' ' 8' ' ' TRP . 3.2 pp -146.85 165.41 29.82 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 126.811 2.045 . . . . 0.99 105.629 -177.616 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -133.1 122.9 24.77 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 102.132 -3.284 . . . . 3.78 102.132 177.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -49.48 109.76 0.31 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.285 1.434 . . . . 3.84 109.011 -178.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.76 -178.82 5.86 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.155 -1.795 . . . . 2.39 106.155 -178.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 121.712 0.768 . . . . 3.8 110.741 168.147 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 CA--C 1.511 -0.552 0 CA-C-O 121.516 0.674 . . . . 1.07 109.666 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -107.48 120.93 43.54 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-N 112.701 -2.045 . . . . 3.73 107.934 -171.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.674 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 31.6 m-85 -113.68 123.29 49.55 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 125.686 1.594 . . . . 1.86 112.512 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.0 t -100.68 149.87 23.33 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.481 1.512 . . . . 2.14 111.461 177.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.904 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.4 m-90 -141.19 157.18 45.61 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.683 1.593 . . . . 1.05 109.511 167.252 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.54 107.73 18.36 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.818 1.647 . . . . 1.95 107.648 175.552 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.59 121.41 51.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 119.164 0.893 . . . . 1.43 109.304 -169.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -107.28 99.66 9.18 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 106.599 -1.63 . . . . 0.92 106.599 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.3 -38.93 0.88 Allowed Glycine 0 C--N 1.335 0.52 0 N-CA-C 111.371 -0.692 . . . . 0.73 111.371 176.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.3 ptt? -69.88 110.59 5.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 120.272 -0.571 . . . . 1.94 110.676 -178.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -159.26 90.19 0.95 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.357 1.063 . . . . 2.83 108.456 166.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.36 -89.17 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.639 0.776 . . . . 2.28 110.09 169.012 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.35 -59.81 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 125.894 1.678 . . . . 2.26 107.232 -178.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.31 41.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.439 -0.801 . . . . 0.88 111.115 172.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 m -71.24 -41.15 70.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.018 -0.734 . . . . 1.73 109.018 -177.142 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.1 -45.45 92.9 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.363 -0.606 . . . . 0.64 109.363 176.316 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 92.9 mtt180 -59.69 -53.71 54.79 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.589 -0.844 . . . . 2.84 110.215 175.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -47.42 -44.2 24.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 121.311 -0.868 . . . . 3.67 111.217 178.406 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.07 -60.69 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 118.858 0.754 . . . . 0.63 111.71 173.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.2 pt-20 -62.75 -36.01 81.67 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.383 -0.969 . . . . 1.73 108.383 -170.305 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -70.03 -34.16 72.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.639 1.175 . . . . 0.49 110.339 178.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.617 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -59.98 -26.21 65.85 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.858 0.863 . . . . 0.44 111.813 166.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.547 HG22 HG13 ' A' ' 56' ' ' VAL . 78.6 t -89.87 -40.9 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 C-N-CA 124.718 1.207 . . . . 1.67 111.236 175.556 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -67.6 -34.41 76.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 119.698 -1.877 . . . . 2.54 109.28 -173.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.71 -13.01 19.23 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.818 1.414 . . . . 0.59 114.818 177.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.03 -107.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.807 1.185 . . . . 0.63 110.133 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.62 -50.55 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.598 1.159 . . . . 0.47 109.02 179.223 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.0 -5.0 90.45 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-N 115.467 -0.788 . . . . 0.52 113.282 -171.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.37 144.19 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.598 0.759 . . . . 0.46 109.162 173.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -116.72 -46.08 2.76 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.722 -0.474 . . . . 2.72 109.722 173.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.66 162.42 39.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.072 -1.084 . . . . 1.44 108.072 -179.012 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.13 135.82 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.402 -1.333 . . . . 1.43 107.402 -170.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.413 ' CG ' ' HB ' ' A' ' 45' ' ' VAL . 6.8 pt20 -123.14 104.64 9.31 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 122.562 1.173 . . . . 2.65 108.085 174.54 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.462 HG12 HD21 ' A' ' 44' ' ' LEU . 1.5 m -94.11 121.94 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 105.589 -2.004 . . . . 1.65 105.589 169.219 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.3 tp -128.95 113.14 14.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.917 -1.142 . . . . 0.5 107.917 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 45.6 m-85 -65.91 164.13 15.63 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 123.889 0.743 . . . . 2.28 111.215 173.382 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.66 -40.95 0.48 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 128.432 2.693 . . . . 1.22 111.178 176.068 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 m -73.89 -23.92 59.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 123.452 0.701 . . . . 1.08 109.336 162.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 50.98 41.09 26.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.426 1.091 . . . . 4.11 110.027 -175.017 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 126.9 51.47 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 103.693 -2.706 . . . . 1.45 103.693 -176.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.462 HD21 HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -97.94 135.55 39.5 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 124.714 1.259 . . . . 1.1 107.672 158.792 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.413 ' HB ' ' CG ' ' A' ' 36' ' ' GLN . 2.4 t -129.75 142.86 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 O-C-N 124.425 1.078 . . . . 0.83 110.277 154.058 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.05 131.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 C-N-CA 125.105 1.362 . . . . 0.44 107.665 171.368 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -110.45 108.51 18.55 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 125.998 1.719 . . . . 2.48 106.986 177.532 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.48 138.46 41.44 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.452 -0.944 . . . . 0.5 108.452 -171.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.45 57.38 1.4 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 108.479 -0.934 . . . . 2.02 108.479 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.05 -40.56 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.673 0.99 . . . . 2.91 113.673 173.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t0 96.61 125.1 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 129.712 3.205 . . . . 3.06 111.062 -173.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.523 HD13 HG23 ' A' ' 56' ' ' VAL . 1.7 pp -149.93 30.46 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 125.754 1.622 . . . . 0.61 109.664 -179.024 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -58.81 -55.46 34.76 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.359 -1.463 . . . . 3.37 112.831 -171.449 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.22 -28.61 42.3 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.475 -0.784 . . . . 0.28 109.557 175.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -79.19 -38.86 34.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.836 -0.802 . . . . 3.05 108.836 -174.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.904 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 66.4 t -68.06 -50.17 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 N-CA-C 108.026 -1.101 . . . . 0.42 108.026 177.47 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -47.69 -57.54 5.41 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 118.019 -0.991 . . . . 2.32 109.571 174.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 t -45.85 -42.87 12.95 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.761 0.709 . . . . 0.75 110.684 177.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.617 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -64.46 -46.17 84.26 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.964 0.906 . . . . 0.51 111.542 -178.795 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.47 HD13 HG12 ' A' ' 56' ' ' VAL . 4.1 mp -70.65 -38.08 73.79 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.049 0.539 . . . . 1.68 110.57 -179.363 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -50.4 73.82 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.928 0.891 . . . . 3.57 108.8 176.309 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -64.65 -37.81 88.85 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.947 0.794 . . . . 5.17 111.61 175.069 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.51 91.89 Favored 'General case' 0 C--N 1.34 0.157 0 O-C-N 121.977 -0.452 . . . . 0.48 111.174 -178.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.0 57.85 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 124.318 0.961 . . . . 0.65 110.943 173.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -129.41 176.18 8.17 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.728 0.811 . . . . 2.13 108.946 170.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.4 p -126.06 133.06 51.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.123 -1.436 . . . . 2.1 107.123 166.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 pp -143.51 171.08 14.64 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.853 1.661 . . . . 0.83 108.681 176.214 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -134.49 116.19 14.82 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 104.724 -2.324 . . . . 3.71 104.724 169.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -46.6 92.52 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 126.276 1.83 . . . . 2.77 113.928 -173.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.46 166.81 16.06 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.456 -1.402 . . . . 2.96 111.968 -170.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 113.908 -1.496 . . . . 3.99 111.859 161.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.112 -1.07 . . . . 1.25 108.112 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -110.68 155.99 21.64 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 124.182 0.926 . . . . 6.05 110.019 170.236 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.631 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 28.4 m-85 -137.84 122.81 19.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 126.542 1.937 . . . . 2.11 106.909 -178.83 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -100.28 149.48 23.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.563 1.145 . . . . 1.86 108.051 175.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.806 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 2.7 m-90 -134.34 175.03 9.88 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.413 0.685 . . . . 1.08 109.424 166.615 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.75 113.98 15.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 105.962 -1.866 . . . . 6.14 105.962 167.202 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 t -97.32 165.5 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 108.371 -0.974 . . . . 1.03 108.371 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -128.89 117.64 21.35 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.246 -1.02 . . . . 1.11 108.246 167.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.73 -21.76 4.42 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.087 0.851 . . . . 0.86 112.486 172.212 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.4 ptm -67.43 100.6 0.86 Allowed 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.978 -0.719 . . . . 2.49 111.457 -178.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -160.5 68.04 0.35 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.274 0.629 . . . . 2.99 110.449 165.629 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.4 t -168.33 150.92 5.36 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.302 -0.874 . . . . 2.44 111.779 172.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 65.09 1.33 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.365 1.066 . . . . 3.15 112.268 -176.313 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.83 -48.91 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 127.05 2.14 . . . . 1.01 107.983 -176.622 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.94 -41.23 97.68 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.027 -1.101 . . . . 3.27 108.027 175.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -46.97 -54.48 10.05 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 123.595 0.559 . . . . 0.88 110.492 176.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -50.0 70.68 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 120.249 -0.581 . . . . 3.16 109.87 178.259 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -41.85 12.35 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.794 0.725 . . . . 2.82 111.807 179.115 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.73 -60.79 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 118.402 0.547 . . . . 0.62 111.732 174.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 26' ' ' VAL . 8.8 pt-20 -59.33 -43.18 92.76 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 107.434 -1.321 . . . . 2.2 107.434 -173.323 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.07 -36.82 85.26 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.1 0.96 . . . . 0.66 109.549 -176.112 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.31 -25.97 37.64 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 118.833 -0.603 . . . . 0.56 112.045 171.551 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 23' ' ' GLU . 2.4 m -97.56 -43.87 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 118.775 0.716 . . . . 2.18 112.875 176.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -61.53 -27.4 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.302 -0.874 . . . . 2.61 110.383 -175.225 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -66.45 -13.55 60.94 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.21 0.819 . . . . 0.56 113.21 176.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.503 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -69.95 -114.24 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.014 0.926 . . . . 0.58 109.342 -178.569 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.36 -46.89 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.365 1.066 . . . . 0.4 108.348 177.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.62 -19.28 79.69 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.404 -0.817 . . . . 0.44 113.265 -174.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.9 t -57.93 139.44 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.006 0.522 . . . . 0.51 111.142 176.035 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -104.83 -56.05 2.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.306 1.842 . . . . 2.08 106.848 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.76 177.44 10.09 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.888 0.875 . . . . 2.37 108.664 178.533 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.26 143.62 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 124.437 1.095 . . . . 1.52 109.335 -172.515 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -127.45 94.11 3.9 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.423 1.489 . . . . 2.22 109.48 171.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 t -88.74 105.86 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 106.401 -1.703 . . . . 2.1 106.401 168.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.2 tp -110.44 112.49 24.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.531 -0.914 . . . . 0.44 108.531 179.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 20.1 m-85 -64.1 167.03 6.92 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 123.604 0.762 . . . . 2.23 111.783 170.225 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.71 -33.11 0.26 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.614 1.966 . . . . 1.19 112.979 177.262 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -99.07 3.5 46.78 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.062 1.745 . . . . 0.96 110.833 169.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 35.64 37.77 0.04 OUTLIER 'General case' 0 C--O 1.237 0.446 0 C-N-CA 128.096 2.558 . . . . 4.5 113.982 -176.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.13 135.24 44.06 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 106.857 -1.534 . . . . 1.61 106.857 -172.31 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.5 141.12 36.54 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.236 -1.394 . . . . 2.04 107.236 161.203 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.88 143.46 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 O-C-N 123.952 0.783 . . . . 0.71 109.286 152.239 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.5 t -125.41 133.73 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 105.336 -2.098 . . . . 0.43 105.336 173.332 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -107.35 115.18 29.72 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 105.407 -2.071 . . . . 3.66 105.407 175.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.18 135.83 17.14 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.819 1.19 . . . . 0.64 111.893 -174.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.75 58.08 4.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.514 0.673 . . . . 1.99 109.687 -178.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.88 152.58 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 C-N-CA 127.321 2.248 . . . . 1.71 107.7 176.777 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -78.48 115.54 18.26 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 107.874 -1.158 . . . . 3.15 107.874 174.162 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -135.04 26.62 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.365 0.603 . . . . 0.56 109.477 179.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 -63.47 -48.24 78.49 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 121.628 -0.67 . . . . 2.83 111.473 -170.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.94 -28.88 58.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.801 0.688 . . . . 0.33 110.553 174.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -75.51 -44.88 41.39 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.525 -0.734 . . . . 2.79 109.213 -177.318 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.806 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.9 t -67.19 -48.37 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 120.631 -0.428 . . . . 0.45 110.167 178.052 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -51.01 -60.35 3.18 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 117.765 -1.112 . . . . 3.06 110.589 173.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.3 t -48.76 -48.46 40.9 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.71 1.141 . . . . 0.55 110.969 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.04 -53.37 58.87 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.851 0.46 . . . . 0.41 111.958 177.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.418 HD12 HG12 ' A' ' 56' ' ' VAL . 18.0 mt -61.98 -45.18 94.75 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.39 0.676 . . . . 1.19 110.84 -178.291 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -52.62 -54.22 36.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.721 -0.672 . . . . 2.36 109.263 175.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.41 -42.13 91.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.639 -0.255 . . . . 4.27 111.438 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.49 -28.71 46.73 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.255 1.022 . . . . 0.53 111.764 176.542 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.8 49.3 0.38 Allowed Glycine 0 C--N 1.336 0.547 0 N-CA-C 111.211 -0.756 . . . . 0.86 111.211 166.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -134.24 -179.23 5.44 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.882 -1.155 . . . . 2.42 107.882 171.155 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.3 m -128.93 140.79 51.51 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 104.115 -2.55 . . . . 2.23 104.115 164.275 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.482 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.1 pp -127.37 167.53 16.07 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.888 -0.782 . . . . 0.83 108.888 171.284 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.32 125.54 51.3 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 103.47 -2.789 . . . . 3.48 103.47 158.365 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -70.13 150.3 46.68 Favored 'General case' 0 N--CA 1.424 -1.764 0 N-CA-C 107.423 -1.325 . . . . 3.05 107.423 166.196 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.66 -176.76 3.78 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 112.544 -2.116 . . . . 2.68 110.793 -169.001 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.823 0.82 . . . . 3.69 109.963 174.814 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.516 -0.358 0 N-CA-C 108.232 -1.025 . . . . 0.92 108.232 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -97.01 144.24 27.09 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.835 -1.53 . . . . 3.19 107.308 173.081 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.642 ' HE2' ' HB3' ' A' ' 48' ' ' ALA . 14.2 m-85 -125.43 134.9 51.94 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 127.058 2.143 . . . . 2.34 108.494 171.01 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.458 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 8.0 p -116.53 155.2 29.07 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 123.93 0.769 . . . . 2.03 111.068 173.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.815 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -141.08 163.37 33.15 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.211 1.004 . . . . 1.1 109.98 169.169 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -113.84 118.32 33.9 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 106.461 -1.681 . . . . 2.06 106.461 168.465 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.97 162.85 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.621 -0.881 . . . . 1.1 108.621 179.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.34 108.31 6.72 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.053 -1.091 . . . . 0.93 108.053 171.503 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.36 -36.96 1.6 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.838 -0.505 . . . . 1.02 111.838 170.809 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -69.9 112.49 6.35 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.466 -0.432 . . . . 1.99 110.439 -177.045 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.94 58.27 0.31 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.734 0.778 . . . . 3.64 110.13 166.49 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.61 131.17 9.71 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.643 1.177 . . . . 2.46 110.535 179.412 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.18 72.32 0.11 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.835 1.254 . . . . 2.8 113.003 -176.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 179.94 -50.5 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 127.529 2.332 . . . . 0.9 107.975 -173.313 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.0 p -72.55 -33.24 66.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.147 -0.686 . . . . 2.56 109.147 179.35 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -52.35 -49.64 63.92 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.775 -0.454 . . . . 0.52 109.775 170.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 61.0 mtp180 -61.7 -50.35 72.83 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 119.838 -0.745 . . . . 5.35 109.649 178.593 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -51.14 -44.59 61.42 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.488 1.04 . . . . 4.0 112.162 178.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -56.24 -60.17 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.873 0.869 . . . . 0.85 111.061 173.645 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.1 pt-20 -64.56 -38.09 89.8 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 119.385 -0.926 . . . . 2.39 108.589 -172.233 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.54 -35.32 80.1 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.258 1.023 . . . . 0.55 109.865 178.225 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -59.56 -23.68 63.09 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.4 0.68 . . . . 0.5 112.46 170.03 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.619 HG22 HG13 ' A' ' 56' ' ' VAL . 57.7 t -92.98 -46.14 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.315 1.446 . . . . 1.69 110.813 176.478 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -63.72 -32.97 74.63 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 120.723 -1.236 . . . . 2.91 109.343 -171.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -63.84 -15.78 59.71 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.547 1.314 . . . . 0.85 114.547 177.709 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.37 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.002 1.274 . . . . 0.67 111.555 -174.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 168.0 -51.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 126.006 1.722 . . . . 0.33 108.694 177.573 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.32 -20.12 79.82 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 115.077 -0.965 . . . . 0.55 113.156 -170.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.49 140.99 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.461 1.104 . . . . 0.58 109.681 177.154 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -99.29 -51.86 3.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 107.064 -1.458 . . . . 2.17 107.064 169.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -148.72 161.49 41.66 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 124.331 1.052 . . . . 1.5 108.597 -170.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 p -152.99 139.88 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 125.195 1.398 . . . . 1.43 108.203 -173.612 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -135.38 109.21 8.09 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 122.479 1.133 . . . . 2.09 108.989 175.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.437 HG12 ' CD2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -97.06 125.21 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 C-N-CA 127.725 2.41 . . . . 1.55 106.214 171.655 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.6 tp -126.48 115.27 19.31 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.234 -1.025 . . . . 0.79 108.234 177.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 14.2 m-85 -62.7 169.36 3.16 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 124.047 0.939 . . . . 2.39 112.453 174.19 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.57 -38.99 0.4 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.168 1.387 . . . . 1.23 113.649 -177.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -88.19 -4.01 58.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.976 0.91 . . . . 2.07 112.158 171.104 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 41.32 37.97 0.72 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.754 2.022 . . . . 4.66 113.362 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.55 127.25 53.45 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 106.978 -1.49 . . . . 1.41 106.978 -168.269 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -100.12 136.97 39.21 Favored 'General case' 0 N--CA 1.425 -1.688 0 N-CA-C 108.066 -1.087 . . . . 1.08 108.066 177.656 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.2 t -132.77 136.38 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 O-C-N 124.724 1.265 . . . . 0.76 110.214 167.39 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.5 t -129.05 135.28 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 106.829 -1.545 . . . . 0.45 106.829 176.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.79 107.63 13.87 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.939 1.295 . . . . 2.22 107.916 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.642 ' HB3' ' HE2' ' A' ' 6' ' ' TYR . . . -131.08 161.62 31.65 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.282 1.433 . . . . 0.88 109.663 -172.844 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.85 56.39 0.77 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.155 -1.054 . . . . 1.99 108.155 177.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -10.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 117.708 2.484 . . . . 2.95 117.708 178.697 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 70.35 107.14 0.06 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 121.414 1.915 . . . . 4.29 112.792 -178.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 pp -147.75 28.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.351 0 O-C-N 121.653 -0.654 . . . . 0.49 111.344 -172.723 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -58.94 -47.24 85.78 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 121.118 -0.989 . . . . 2.39 111.612 -173.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.23 -33.09 68.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 123.684 0.615 . . . . 0.32 110.051 176.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -76.87 -37.13 56.1 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.896 -0.409 . . . . 3.04 109.896 -177.199 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.815 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 79.1 t -64.71 -58.12 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 108.166 -1.05 . . . . 0.52 108.166 172.634 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -43.82 -58.24 2.84 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 117.809 -1.091 . . . . 2.34 111.443 178.452 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -43.96 -41.75 5.51 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.208 0.913 . . . . 0.69 111.289 178.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -72.62 -47.05 50.91 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 121.824 -0.547 . . . . 0.3 110.156 -175.658 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.52 -42.24 98.46 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.354 0.597 . . . . 1.88 111.686 176.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.62 -50.73 71.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.841 -0.8 . . . . 2.48 108.841 174.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -60.79 -43.17 98.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.225 0.21 . . . . 4.02 110.993 177.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.2 -40.28 85.24 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.877 0.871 . . . . 0.8 110.578 178.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.94 50.82 0.18 Allowed Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.343 0.973 . . . . 0.74 111.83 169.171 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -136.72 131.1 33.03 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 117.859 0.83 . . . . 2.93 109.955 174.013 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 m -87.47 105.96 17.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.75 -1.204 . . . . 2.14 107.75 173.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 pp -101.7 178.75 4.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.203 0.601 . . . . 0.75 110.521 172.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -131.27 131.84 44.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 104.011 -2.588 . . . . 5.9 104.011 166.363 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -71.99 124.9 25.92 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 106.627 -1.62 . . . . 2.56 106.627 178.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -87.69 178.19 6.82 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 114.572 -1.195 . . . . 2.6 110.439 175.592 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 . . . . . 0 N--CA 1.444 -0.757 0 CA-C-N 114.598 -1.183 . . . . 5.36 109.722 173.963 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.8 m . . . . . 0 CA--C 1.511 -0.527 0 N-CA-C 107.849 -1.167 . . . . 0.86 107.849 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -96.85 118.89 34.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 O-C-N 124.676 1.235 . . . . 3.4 108.776 -176.346 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.71 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 8.6 m-85 -99.1 134.24 42.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.657 -1.611 . . . . 1.92 113.018 170.101 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -106.67 148.09 28.78 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.179 1.392 . . . . 2.02 109.232 171.054 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.828 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -136.31 164.9 27.02 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.184 0.994 . . . . 1.09 109.826 166.294 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -122.65 102.43 8.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 126.426 1.89 . . . . 3.18 107.883 -178.105 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 11' ' ' SER . 1.8 t -96.64 177.07 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.621 0.724 . . . . 1.28 110.198 -174.755 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.462 ' H ' HG12 ' A' ' 10' ' ' VAL . 4.0 m -156.67 102.11 2.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.623 1.569 . . . . 1.39 107.11 173.507 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.62 -32.85 1.1 Allowed Glycine 0 CA--C 1.533 1.198 0 CA-C-N 118.054 0.388 . . . . 0.75 112.826 179.681 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.67 75.45 0.18 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.405 0.682 . . . . 2.44 112.234 179.545 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 9.4 m-20 -120.64 61.47 0.88 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 121.524 0.678 . . . . 4.38 111.848 177.753 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.75 155.06 2.57 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 122.035 -0.415 . . . . 2.27 110.724 166.042 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.43 38.58 0.15 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.566 1.546 . . . . 2.39 112.889 -175.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.97 -51.98 0.13 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 127.473 2.309 . . . . 1.22 108.616 -172.674 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 m -60.12 -36.57 77.77 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 107.793 -1.188 . . . . 1.98 107.793 171.324 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.43 -35.38 52.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.571 -0.74 . . . . 0.86 111.944 172.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -74.29 -47.82 32.44 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 121.075 -1.015 . . . . 3.7 108.914 175.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -49.56 -37.03 25.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.645 -0.66 . . . . 2.79 111.331 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.3 t -55.71 -55.88 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 124.483 1.113 . . . . 0.68 111.984 170.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 26' ' ' VAL . 7.0 pt-20 -66.18 -43.54 86.58 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.226 0.921 . . . . 1.85 108.6 -176.647 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -65.77 -30.83 71.54 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.176 -0.953 . . . . 0.63 110.384 -176.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.83 -22.25 35.09 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 118.334 -0.841 . . . . 0.48 112.058 170.323 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.638 HG12 HG13 ' A' ' 56' ' ' VAL . 5.9 m -106.95 -38.49 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 119.071 0.851 . . . . 1.83 113.187 177.548 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -59.31 -24.5 63.36 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 120.92 -1.113 . . . . 2.67 111.11 178.712 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -68.41 -13.07 62.03 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.505 0.928 . . . . 0.53 113.505 176.485 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -114.89 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.731 1.212 . . . . 0.73 109.337 -178.49 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.78 -49.22 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 125.286 1.435 . . . . 0.3 108.454 -179.674 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.56 -18.09 79.95 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 115.659 -0.701 . . . . 0.38 113.115 -174.692 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.61 130.64 22.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.812 0.845 . . . . 0.45 110.814 176.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.58 -62.67 1.21 Allowed 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.151 1.38 . . . . 2.12 108.574 178.384 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -143.83 109.12 5.05 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.878 -1.156 . . . . 1.33 107.878 -165.282 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -102.53 138.83 25.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 123.628 0.771 . . . . 1.35 109.32 178.723 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.53 111.36 8.79 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.238 1.018 . . . . 1.65 109.338 168.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.04 123.25 44.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 127.818 2.447 . . . . 1.83 104.511 170.573 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 tp -106.43 87.45 2.55 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 105.088 -2.19 . . . . 0.56 105.088 172.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 1.6 t80 -69.61 80.52 0.42 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.138 -1.06 . . . . 3.34 108.138 170.787 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -167.13 -56.09 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.022 2.129 . . . . 1.77 106.7 166.662 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -97.0 38.39 1.24 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.832 1.253 . . . . 1.49 110.885 -177.743 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 36.16 27.35 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 128.742 2.817 . . . . 5.12 116.651 175.641 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -114.28 139.62 49.27 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.61 -1.256 . . . . 2.21 107.61 -166.179 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.75 143.59 33.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.378 -0.971 . . . . 1.82 108.378 167.396 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -126.51 139.55 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 O-C-N 123.929 0.768 . . . . 0.71 111.258 156.214 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.52 119.54 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 125.688 1.595 . . . . 0.4 107.676 174.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -96.01 125.42 40.54 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.472 -1.677 . . . . 4.07 106.472 169.296 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.14 146.2 32.61 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.129 0.571 . . . . 0.54 110.628 -177.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -86.28 58.35 5.0 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.958 -0.756 . . . . 2.38 108.958 177.394 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.68 160.17 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.219 1.808 . . . . 1.68 110.852 175.629 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.94 105.4 4.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.484 1.514 . . . . 4.13 110.57 172.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.05 25.02 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 123.284 0.634 . . . . 0.6 111.799 175.321 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -62.4 -43.46 98.78 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.924 -1.11 . . . . 3.75 111.179 -174.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.33 -32.91 72.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 123.65 0.594 . . . . 0.27 109.7 174.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -46.06 69.7 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.856 -0.794 . . . . 2.79 108.856 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.828 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.6 t -65.55 -52.02 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 N-CA-C 108.865 -0.791 . . . . 0.41 108.865 -178.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -44.12 -61.98 1.3 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 117.103 -1.427 . . . . 3.18 110.683 171.605 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -46.88 -46.44 21.12 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 120.05 1.295 . . . . 0.59 111.063 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.75 -51.92 67.71 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.496 0.554 . . . . 0.34 112.496 177.468 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.623 HD12 HG12 ' A' ' 56' ' ' VAL . 3.5 mt -65.22 -41.76 94.1 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.698 0.799 . . . . 1.08 111.411 -178.563 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -54.68 18.45 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.205 1.002 . . . . 2.89 108.674 171.484 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -61.76 -47.53 84.79 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.414 0.149 . . . . 3.94 110.817 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.15 -33.44 67.42 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.041 0.937 . . . . 0.44 110.973 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.71 45.39 0.38 Allowed Glycine 0 CA--C 1.524 0.597 0 C-N-CA 124.318 0.961 . . . . 0.53 111.581 165.631 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -137.17 129.26 29.35 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 117.876 0.838 . . . . 1.98 109.247 177.249 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 p -84.39 120.08 25.86 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.786 -1.19 . . . . 1.62 107.786 177.138 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.441 HD13 ' HD1' ' A' ' 8' ' ' TRP . 3.4 pp -121.16 175.15 6.25 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.93 0.892 . . . . 0.86 109.93 171.472 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -130.5 155.93 45.64 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.288 -1.745 . . . . 3.38 106.288 161.341 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -84.39 92.26 7.99 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.95 1.3 . . . . 2.68 110.944 -174.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.77 167.34 7.6 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 121.756 -0.59 . . . . 2.28 111.874 -173.141 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 C-N-CA 124.073 0.949 . . . . 4.23 109.405 160.087 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.7 m . . . . . 0 CA--C 1.515 -0.382 0 CA-C-O 121.363 0.602 . . . . 0.88 111.953 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.419 ' HG3' HG13 ' A' ' 45' ' ' VAL . 25.3 ttm180 -99.03 120.41 39.42 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 126.442 1.897 . . . . 3.44 109.468 -177.507 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' HD2' ' A' ' 53' ' ' ARG . 22.5 m-85 -118.61 123.83 45.96 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.106 1.15 . . . . 2.42 114.106 173.656 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.8 m -99.12 157.29 16.46 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.551 0.574 . . . . 1.82 112.551 -178.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.684 ' CD1' HD23 ' A' ' 67' ' ' LEU . 19.8 m-90 -138.69 157.04 46.85 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.249 1.42 . . . . 2.6 110.165 167.055 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -113.85 94.83 5.01 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.669 -2.345 . . . . 2.53 104.669 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.606 HG21 HD23 ' A' ' 44' ' ' LEU . 12.1 t -95.93 155.28 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.44 -0.948 . . . . 0.97 108.44 -166.812 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 t -140.67 99.98 3.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.157 -1.423 . . . . 1.08 107.157 179.053 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.64 -12.26 1.52 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.825 1.679 . . . . 1.15 114.389 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -102.61 102.52 12.75 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 120.088 1.944 . . . . 2.01 110.656 -179.28 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -138.92 3.52 2.23 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.042 -1.036 . . . . 4.43 113.609 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.7 t -109.85 -90.87 0.46 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.247 1.019 . . . . 2.22 112.466 -165.765 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.78 -62.8 0.01 OUTLIER 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.559 1.143 . . . . 2.13 109.439 -177.415 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.11 -34.45 60.3 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.896 -0.503 . . . . 0.89 111.279 177.012 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -69.51 -36.51 76.51 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.45 1.5 . . . . 2.88 109.587 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.596 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -65.13 -43.13 92.95 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.549 -0.908 . . . . 0.5 108.549 177.201 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 67.7 mtt180 -60.21 -50.31 74.17 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 119.515 -0.874 . . . . 3.16 109.636 173.613 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -51.22 -42.15 60.76 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.216 -0.927 . . . . 3.5 112.127 177.397 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.45 -62.29 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 120.142 1.337 . . . . 0.61 109.952 172.718 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 17.1 pt-20 -62.01 -45.04 95.35 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 107.134 -1.432 . . . . 1.95 107.134 -165.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -61.63 -43.35 99.03 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.887 0.875 . . . . 0.63 110.359 178.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.97 -25.26 66.72 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.672 0.669 . . . . 0.74 112.325 173.677 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.612 HG12 HG11 ' A' ' 32' ' ' VAL . 84.2 t -83.49 -37.94 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.936 0.894 . . . . 1.75 110.111 172.644 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -70.34 -37.11 74.59 Favored 'General case' 0 C--O 1.227 -0.085 0 O-C-N 120.257 -1.527 . . . . 2.69 110.321 -174.115 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -58.77 -18.73 34.44 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.328 0.862 . . . . 0.68 113.328 -175.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.12 -89.22 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.869 0.868 . . . . 1.09 111.779 -174.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 159.98 -54.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 128.576 2.75 . . . . 0.52 108.332 -178.048 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.07 -3.43 89.51 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.584 -0.734 . . . . 0.82 114.227 -168.291 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.612 HG11 HG12 ' A' ' 26' ' ' VAL . 77.7 t -79.24 143.45 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.917 -1.142 . . . . 0.4 107.917 176.3 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -110.39 -48.4 3.17 Favored 'General case' 0 C--N 1.338 0.101 0 N-CA-C 109.271 -0.64 . . . . 3.34 109.271 168.788 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -139.47 158.32 44.33 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.838 0.855 . . . . 1.87 108.694 -176.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.9 p -143.38 136.43 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 124.779 1.231 . . . . 1.76 108.616 -179.832 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -112.64 91.54 3.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 127.202 2.201 . . . . 1.93 108.778 171.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.53 114.93 28.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 105.563 -2.014 . . . . 1.71 105.563 169.287 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.1 tp -125.63 112.18 15.85 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.563 -0.71 . . . . 0.45 109.243 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 22.9 m-85 -60.0 167.71 2.17 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.029 0.932 . . . . 2.17 112.238 170.435 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.85 -55.28 0.67 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.917 2.087 . . . . 1.22 111.374 175.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -62.53 -34.13 76.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.539 -0.912 . . . . 1.15 108.539 160.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 59.2 45.27 14.54 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.466 1.506 . . . . 4.81 109.193 -176.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.25 139.38 34.99 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.231 -1.804 . . . . 1.37 108.505 -177.182 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.606 HD23 HG21 ' A' ' 10' ' ' VAL 0.258 0.4 OUTLIER -96.98 143.87 27.43 Favored 'General case' 0 CA--C 1.491 -1.301 0 N-CA-C 106.251 -1.759 . . . . 1.69 106.251 160.688 . . . . . . . . 4 4 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.419 HG13 ' HG3' ' A' ' 5' ' ' ARG . 1.1 t -138.39 133.62 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 106.642 -1.614 . . . . 0.78 106.642 149.073 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.53 HG23 HD12 ' A' ' 44' ' ' LEU . 22.7 t -118.51 110.42 30.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 126.504 1.922 . . . . 1.03 108.071 179.198 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -98.61 104.63 16.68 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 106.115 -1.809 . . . . 2.47 106.115 178.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.32 138.03 39.56 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.741 1.216 . . . . 0.52 110.57 -166.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -87.97 55.63 3.54 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.91 -0.494 . . . . 3.04 111.048 -170.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 154.75 152.28 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 126.144 1.777 . . . . 1.77 107.564 -166.233 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -74.24 121.2 20.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.295 -1.002 . . . . 3.19 108.295 163.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 pp -134.06 19.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 124.544 1.138 . . . . 0.81 108.641 167.578 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.62 ' HB3' ' CH2' ' A' ' 8' ' ' TRP . 28.0 mtp180 -65.65 -46.39 79.36 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 120.393 -1.442 . . . . 3.93 111.535 -161.02 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.61 -29.04 1.64 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.214 1.005 . . . . 0.53 110.14 174.562 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -74.99 -48.28 24.99 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.476 -0.935 . . . . 3.09 108.476 -178.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.5 t -58.01 -55.6 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.187 0.595 . . . . 0.57 109.956 174.182 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -50.07 -53.95 23.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.736 1.214 . . . . 3.23 110.405 177.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -55.85 -48.74 74.98 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.653 1.115 . . . . 0.83 109.801 176.645 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.98 -47.14 68.43 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 123.036 0.534 . . . . 0.26 112.004 179.25 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.37 -46.78 75.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.884 1.273 . . . . 1.14 108.743 -178.135 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -48.72 -51.92 26.27 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.944 -1.025 . . . . 2.44 111.281 172.418 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -67.76 -41.96 82.53 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.979 -0.451 . . . . 8.01 111.333 179.374 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.73 79.69 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 123.942 0.897 . . . . 0.61 110.643 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.98 50.89 0.09 OUTLIER Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.252 -0.739 . . . . 0.83 111.252 169.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -132.55 -179.25 5.33 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.681 -0.859 . . . . 2.32 108.681 171.449 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.9 p -142.43 135.24 28.29 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 105.001 -2.222 . . . . 1.63 105.001 172.101 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.684 HD23 ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -151.08 169.24 22.32 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.283 1.433 . . . . 2.88 107.217 179.231 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -141.55 116.87 10.11 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 102.811 -3.033 . . . . 3.38 102.811 -174.135 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -28.01 102.37 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.843 1.657 . . . . 3.33 113.332 174.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.18 179.02 7.86 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.971 -1.122 . . . . 3.73 107.971 176.014 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 121.62 0.724 . . . . 4.19 110.349 167.995 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.515 -0.381 0 N-CA-C 107.326 -1.361 . . . . 1.71 107.326 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -108.78 139.64 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.632 0.773 . . . . 4.08 110.335 -177.404 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.696 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 14.9 m-85 -129.29 130.11 45.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.612 1.165 . . . . 1.81 111.158 176.545 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -100.28 145.83 27.64 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.98 1.712 . . . . 2.17 110.197 175.155 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.898 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -139.85 162.11 35.96 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.003 0.921 . . . . 1.06 110.688 163.076 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -113.03 94.66 5.0 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.164 1.786 . . . . 2.07 107.923 -173.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.524 HG21 HD23 ' A' ' 44' ' ' LEU . 3.1 t -96.93 124.58 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 118.777 0.717 . . . . 1.34 110.019 -167.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -117.17 108.81 16.13 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.648 -1.612 . . . . 1.48 106.648 170.345 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.42 -29.25 1.77 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.902 -0.879 . . . . 1.14 110.902 172.482 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.21 81.09 0.72 Allowed 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.045 -0.724 . . . . 5.57 109.045 174.626 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.431 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 10.4 m-20 -141.32 69.06 1.33 Allowed 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 123.475 0.484 . . . . 5.19 110.144 -176.25 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.5 t -150.06 -95.83 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.438 0.295 . . . . 2.54 110.315 172.331 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.68 -66.96 0.03 OUTLIER 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 124.236 1.014 . . . . 2.03 108.856 178.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.08 -19.21 61.16 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.543 -0.723 . . . . 1.16 112.103 174.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 m -68.74 -25.89 64.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.539 1.136 . . . . 2.06 109.186 175.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.67 -49.46 73.12 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.599 -0.519 . . . . 0.61 109.599 171.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 75.5 mtt180 -58.46 -42.46 87.52 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 120.124 -0.631 . . . . 2.59 110.458 176.667 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -45.32 -44.06 11.29 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.447 1.021 . . . . 3.14 112.093 173.259 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.459 ' CG1' HD21 ' A' ' 44' ' ' LEU . 81.0 t -61.75 -60.65 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 119.585 1.084 . . . . 0.87 110.81 177.104 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 11.6 pt-20 -61.11 -38.46 86.4 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 106.871 -1.529 . . . . 2.06 106.871 -168.392 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -70.17 -38.88 75.52 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.212 -0.93 . . . . 0.59 110.616 -179.03 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 -25.6 27.46 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.996 0.918 . . . . 0.41 112.058 172.288 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.503 HG12 HG13 ' A' ' 56' ' ' VAL . 6.3 m -103.91 -37.4 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 113.296 0.85 . . . . 1.88 113.296 177.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.06 -28.95 63.02 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 120.942 -1.099 . . . . 2.39 109.998 178.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.22 -13.07 61.97 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.758 1.022 . . . . 0.53 113.758 177.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -115.5 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.051 0.941 . . . . 0.68 109.279 -178.712 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.38 -48.09 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 124.627 1.171 . . . . 0.42 108.394 -179.281 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.62 -22.57 77.02 Favored Glycine 0 CA--C 1.529 0.906 0 CA-C-N 115.799 -0.637 . . . . 0.54 113.021 -174.652 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.1 t -50.23 139.43 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 124.584 1.154 . . . . 0.72 111.949 174.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -123.57 -60.8 1.44 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.849 0.859 . . . . 3.51 112.152 172.803 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -138.24 76.96 1.6 Allowed 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.147 1.339 . . . . 2.44 111.924 -162.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.442 HG21 ' CG2' ' A' ' 26' ' ' VAL . 77.6 t -82.37 145.67 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 124.621 1.168 . . . . 2.76 109.38 -171.803 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.65 103.19 4.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 122.245 1.021 . . . . 2.0 109.676 175.373 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 t -92.6 106.03 17.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 126.336 1.854 . . . . 1.98 107.733 178.198 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.9 tp -99.86 75.87 1.92 Allowed 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.755 1.264 . . . . 0.55 107.606 178.098 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.4 t80 -60.23 103.71 0.25 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.084 -1.416 . . . . 3.31 107.383 163.535 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 142.8 -29.49 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 129.19 2.996 . . . . 1.74 110.019 -177.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -124.19 38.25 4.23 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.368 -0.604 . . . . 1.44 109.368 177.276 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 35.75 27.94 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 128.556 2.742 . . . . 5.77 115.003 179.248 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.44 124.31 51.52 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.547 -0.909 . . . . 1.41 108.547 -163.741 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.524 HD23 HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -97.3 123.65 41.18 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 104.532 -2.396 . . . . 1.49 104.532 165.854 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 t -126.71 133.24 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 118.837 0.744 . . . . 0.66 111.012 159.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.0 t -125.83 117.96 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 N-CA-C 106.832 -1.544 . . . . 0.37 106.832 177.482 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.93 118.83 36.58 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 106.648 -1.612 . . . . 2.3 106.648 171.076 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.53 144.26 31.24 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.528 1.931 . . . . 0.51 111.568 -170.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.32 56.76 3.48 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.17 0.988 . . . . 2.11 109.882 178.734 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.0 168.4 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 127.486 2.314 . . . . 1.73 106.896 175.824 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.45 130.54 34.76 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 119.87 1.214 . . . . 3.38 108.921 164.17 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 56' ' ' VAL . 1.3 pp -139.89 29.97 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 O-C-N 123.578 0.549 . . . . 0.61 109.591 171.294 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mtm-85 -64.98 -49.48 70.1 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.679 -1.263 . . . . 2.84 111.342 -167.804 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.54 -32.77 69.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 123.817 0.698 . . . . 0.5 110.188 173.161 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.9 -46.45 68.3 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 119.871 -0.732 . . . . 3.54 109.643 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.898 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 42.5 t -66.49 -52.35 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 N-CA-C 107.884 -1.154 . . . . 0.36 107.884 -178.467 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.545 ' CG ' HD11 ' A' ' 67' ' ' LEU . 5.1 tm-20 -46.98 -56.47 6.35 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 118.264 -0.874 . . . . 2.84 111.704 176.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -47.9 -42.63 27.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.816 0.735 . . . . 0.66 111.138 177.457 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.34 -45.15 66.72 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.42 -0.8 . . . . 0.46 110.558 -176.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.426 HD13 HG12 ' A' ' 56' ' ' VAL . 6.3 mp -64.25 -42.77 96.36 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.368 0.604 . . . . 1.69 110.417 179.046 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -49.73 75.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.816 -0.629 . . . . 2.19 109.686 175.732 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.09 -37.85 88.83 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.45 -0.157 . . . . 4.88 111.418 178.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.07 85.65 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.842 0.857 . . . . 0.53 110.183 176.44 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.41 41.97 0.28 Allowed Glycine 0 CA--C 1.523 0.567 0 C-N-CA 124.363 0.983 . . . . 0.6 111.624 168.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -116.63 166.56 11.97 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 117.585 0.692 . . . . 2.19 110.054 174.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -118.81 131.41 56.09 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 105.438 -2.06 . . . . 1.34 105.438 171.132 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' A' ' 57' ' ' GLU . 3.0 pp -142.27 170.99 14.68 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 124.232 0.958 . . . . 0.81 108.623 175.337 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -134.91 126.55 28.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 104.02 -2.585 . . . . 3.7 104.02 175.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -52.83 114.39 1.4 Allowed 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.124 0.97 . . . . 3.02 108.429 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -95.24 167.11 11.56 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 114.773 -1.103 . . . . 2.41 108.692 -179.106 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 CA--C 1.539 0.552 0 CA-C-N 114.854 -1.066 . . . . 3.84 110.901 169.248 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.396 0 N-CA-C 107.696 -1.224 . . . . 1.01 107.696 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -99.24 141.49 31.94 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.883 -1.053 . . . . 3.93 109.332 178.45 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.66 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 13.0 m-85 -124.16 123.8 41.08 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 125.966 1.706 . . . . 1.96 108.94 171.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.475 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 11.2 t -99.57 158.48 15.72 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.913 0.758 . . . . 2.04 109.144 169.652 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.777 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -134.76 167.4 20.93 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 126.65 1.98 . . . . 1.06 107.158 163.33 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -112.01 127.82 56.0 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 105.488 -2.042 . . . . 1.93 105.488 161.456 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.58 164.45 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 124.732 1.213 . . . . 1.09 109.834 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -145.45 115.73 7.52 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.187 -1.042 . . . . 1.39 108.187 164.507 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.96 -37.98 1.07 Allowed Glycine 0 CA--C 1.528 0.865 0 O-C-N 123.524 0.515 . . . . 0.8 112.429 169.266 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -68.52 -25.05 64.75 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 116.707 2.114 . . . . 3.31 116.707 -162.051 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -51.34 77.66 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.418 1.887 . . . . 2.9 115.406 -165.318 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.7 m -143.51 -96.99 0.11 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.954 1.701 . . . . 2.29 110.531 176.358 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.86 -68.13 0.03 OUTLIER 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.701 1.2 . . . . 2.04 109.185 -178.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.23 -31.63 44.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.591 0.757 . . . . 0.87 112.086 177.153 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.3 m -68.73 -33.87 74.65 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.914 -0.773 . . . . 1.79 108.914 -178.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.71 84.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.752 -0.833 . . . . 0.72 108.752 175.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.452 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 2.3 mpt_? -58.75 -53.13 61.86 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 109.702 -0.481 . . . . 4.28 109.702 175.479 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -46.17 -47.07 17.69 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 120.345 -0.542 . . . . 3.38 111.666 177.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.559 HG11 HD21 ' A' ' 44' ' ' LEU . 99.5 t -62.55 -58.22 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 118.656 0.662 . . . . 0.59 112.571 176.464 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.479 ' O ' HG22 ' A' ' 26' ' ' VAL . 16.2 pt-20 -59.56 -41.46 90.23 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 107.757 -1.201 . . . . 2.25 107.757 -171.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -63.88 -38.83 92.55 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.081 -1.012 . . . . 0.77 110.813 176.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.2 -28.74 19.5 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.705 0.802 . . . . 0.55 111.976 173.039 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 23' ' ' GLU . 8.6 m -98.55 -41.12 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 112.432 0.53 . . . . 2.05 112.432 178.5 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -59.73 -29.95 68.49 Favored 'General case' 0 N--CA 1.462 0.136 0 O-C-N 121.692 -0.63 . . . . 3.68 110.131 -177.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.53 -14.09 62.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.891 1.071 . . . . 0.58 113.891 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.62 -116.07 0.0 OUTLIER 'General case' 0 C--N 1.343 0.306 0 CA-C-N 118.999 0.818 . . . . 0.84 110.441 178.391 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.1 -49.32 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.177 0 N-CA-C 109.109 -0.7 . . . . 0.36 109.109 -177.149 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.35 -14.66 75.97 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 115.652 -0.704 . . . . 0.44 113.017 -175.368 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.31 132.74 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.952 0.901 . . . . 0.42 109.074 169.224 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -111.19 -61.2 1.73 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.908 -1.145 . . . . 2.28 107.908 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -119.3 159.8 23.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.983 1.713 . . . . 3.03 107.499 -176.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.33 138.87 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.402 1.081 . . . . 1.6 108.651 -178.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -126.27 95.12 4.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.337 1.455 . . . . 1.88 108.796 174.433 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.433 HG22 HD21 ' A' ' 44' ' ' LEU . 18.3 t -92.92 103.47 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 107.006 -1.479 . . . . 2.04 107.006 169.141 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.4 tp -113.52 103.9 11.72 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.66 -1.237 . . . . 0.51 107.66 178.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.53 163.6 5.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.712 0.405 . . . . 2.93 111.595 175.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.45 -43.15 0.45 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.556 2.342 . . . . 1.27 110.875 173.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.1 m -67.8 -30.05 69.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.209 0.603 . . . . 1.17 109.434 162.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 50.72 33.99 9.25 Favored 'General case' 0 C--N 1.344 0.338 0 C-N-CA 124.963 1.305 . . . . 4.17 111.703 -173.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -88.35 137.54 32.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.384 -2.08 . . . . 1.51 105.384 169.522 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.559 HD21 HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -116.45 116.53 27.84 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 117.601 -1.19 . . . . 1.13 108.555 168.172 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.91 138.55 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 O-C-N 123.985 0.803 . . . . 0.68 110.517 170.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 81.1 t -128.67 126.37 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 C-N-CA 125.789 1.636 . . . . 0.47 106.886 172.245 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.68 108.49 18.4 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.076 -1.824 . . . . 2.25 106.076 -177.547 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.99 140.42 34.35 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.737 1.215 . . . . 0.52 112.545 -161.07 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.59 63.53 4.76 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.873 0.869 . . . . 2.21 109.529 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 161.03 160.08 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 129.595 3.158 . . . . 1.79 106.98 173.596 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -82.93 124.28 30.21 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.731 1.213 . . . . 4.03 109.659 175.31 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 pp -145.2 25.04 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 118.806 0.73 . . . . 0.52 111.606 -178.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -59.4 -46.41 88.77 Favored 'General case' 0 CA--C 1.511 -0.557 0 O-C-N 121.264 -0.897 . . . . 2.36 111.281 -174.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.59 -32.57 70.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 123.974 0.796 . . . . 0.33 109.848 177.064 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -49.2 61.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.815 -0.809 . . . . 3.0 108.815 179.569 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.777 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 86.3 t -66.31 -48.2 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 N-CA-C 108.711 -0.848 . . . . 0.43 108.711 -175.697 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -48.38 -54.8 12.66 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 117.844 -1.074 . . . . 2.53 112.178 170.593 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -53.32 -49.3 67.35 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.734 1.152 . . . . 0.57 109.351 -179.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.58 89.13 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.139 0.422 . . . . 0.29 112.139 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.558 HD21 HG13 ' A' ' 22' ' ' VAL . 32.8 mt -68.66 -40.29 80.24 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.798 0.839 . . . . 1.04 109.632 -177.197 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -54.27 34.0 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.377 -0.828 . . . . 2.95 110.059 170.246 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -64.13 -39.69 94.58 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.033 -0.417 . . . . 7.13 111.585 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.47 70.56 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.356 0.662 . . . . 0.47 110.715 176.345 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.83 44.25 0.9 Allowed Glycine 0 C--N 1.336 0.536 0 C-N-CA 124.124 0.869 . . . . 0.59 111.322 168.273 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -124.8 141.88 51.81 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.061 -1.089 . . . . 2.06 108.061 169.416 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.1 m -83.92 138.89 32.94 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 106.853 -1.536 . . . . 1.57 106.853 166.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.54 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.4 pp -135.45 175.85 9.21 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.466 -0.568 . . . . 0.86 109.466 168.412 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -126.98 132.45 50.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 105.042 -2.207 . . . . 3.22 105.042 155.504 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.37 142.94 55.31 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.329 -1.73 . . . . 2.8 106.329 175.39 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -106.43 172.58 6.74 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 113.435 -1.711 . . . . 2.61 111.774 177.073 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 C--O 1.238 0.479 0 CA-C-N 113.847 -1.524 . . . . 3.31 111.036 175.873 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 113.677 0.992 . . . . 5.46 113.677 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.34 113.81 1.66 Allowed Glycine 0 C--N 1.336 0.574 0 C-N-CA 124.113 0.863 . . . . 1.45 111.616 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.0 m -122.71 144.74 48.96 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.665 -0.865 . . . . 0.92 108.665 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -99.14 113.51 25.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.362 -1.29 . . . . 5.62 109.587 -174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.622 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.6 m-85 -98.1 141.63 30.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.784 1.234 . . . . 2.05 112.076 172.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 4.7 m -123.38 151.57 42.43 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 123.607 0.763 . . . . 2.08 110.506 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.792 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -140.31 159.22 42.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 1.1 109.506 171.414 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 21.7 mtpt -110.66 120.19 41.6 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.379 -2.082 . . . . 1.87 105.379 172.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.38 160.06 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.311 1.044 . . . . 1.09 109.357 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.74 113.81 15.19 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.636 -1.246 . . . . 0.88 107.636 166.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -26.19 2.97 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.543 2.021 . . . . 0.89 112.628 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.36 77.23 8.26 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.184 -1.186 . . . . 2.05 112.288 -168.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -142.56 69.13 1.31 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.786 0.803 . . . . 3.44 110.669 166.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -162.96 149.57 12.6 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.804 -0.56 . . . . 2.29 111.104 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 63.71 3.0 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.565 0.95 . . . . 2.92 113.565 -169.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.6 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 127.172 2.189 . . . . 0.85 109.383 -177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -68.22 -31.71 71.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.879 -0.786 . . . . 2.68 108.879 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -56.48 -47.02 80.12 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.502 -0.479 . . . . 0.49 111.249 172.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 41.2 mtt85 -63.58 -53.24 54.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.45 -0.945 . . . . 3.41 108.45 178.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.04 -37.75 54.64 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.446 -0.784 . . . . 4.15 111.991 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.51 -61.87 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.286 0.634 . . . . 0.59 110.873 170.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.4 pt-20 -61.67 -41.44 97.55 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 119.461 1.028 . . . . 1.77 108.444 -171.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -62.85 -34.86 78.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.405 1.082 . . . . 0.54 110.745 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -56.8 -24.76 53.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.442 0.565 . . . . 0.46 112.225 168.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.578 HG12 HG21 ' A' ' 32' ' ' VAL . 4.0 t -95.07 -44.78 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.642 1.177 . . . . 1.67 111.141 177.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -61.36 -29.87 70.17 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.376 -1.452 . . . . 2.89 110.18 -173.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.62 -12.21 21.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.978 1.103 . . . . 0.52 113.978 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -71.87 -119.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.165 0.893 . . . . 0.45 109.276 176.29 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.21 -48.91 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.498 -0.751 . . . . 0.3 109.36 -176.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.88 -20.62 79.74 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 115.662 -0.699 . . . . 0.46 112.407 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 HG12 ' A' ' 26' ' ' VAL . 69.5 t -62.85 134.21 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.083 -0.71 . . . . 0.44 109.083 174.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.84 21.37 1.97 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.557 0.577 . . . . 2.34 112.557 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -178.99 143.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.821 2.048 . . . . 1.39 106.008 174.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.38 138.46 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.056 1.342 . . . . 2.72 108.398 -175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 5.1 mt-30 -131.82 87.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.577 1.151 . . . . 1.83 108.663 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.19 109.71 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.068 1.347 . . . . 1.71 107.524 173.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.8 tp -112.33 116.17 29.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.933 0.893 . . . . 0.5 109.141 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 26.6 m-85 -62.37 167.61 4.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.198 0.599 . . . . 2.66 111.669 170.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.33 -50.43 0.55 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 127.04 2.136 . . . . 1.19 112.643 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -71.7 -26.11 62.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.45 -0.781 . . . . 0.98 109.429 171.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 57.54 38.62 28.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 122.678 1.227 . . . . 4.23 108.993 176.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.77 128.08 54.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 106.409 -1.7 . . . . 1.37 106.409 -171.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -99.98 139.07 36.18 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 107.971 -1.122 . . . . 1.11 107.971 -178.228 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 9.4 t -130.13 147.86 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 O-C-N 124.412 1.07 . . . . 0.68 110.237 160.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.1 t -138.56 120.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.945 1.698 . . . . 0.37 106.635 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.35 113.36 26.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.45 -1.685 . . . . 2.26 106.45 175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.26 140.09 35.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.238 0.615 . . . . 0.49 109.422 -173.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 58.01 4.81 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.385 -0.598 . . . . 1.9 109.385 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.21 151.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.313 2.245 . . . . 1.77 109.009 178.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.425 ' OD2' ' NH1' ' A' ' 53' ' ' ARG . 14.3 t0 -70.67 125.08 25.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.562 -0.903 . . . . 3.3 108.562 169.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.8 27.19 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.547 -0.909 . . . . 0.53 108.547 169.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 49.6 mtm-85 -63.59 -43.76 96.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 121.149 -0.97 . . . . 2.49 111.2 -169.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -32.43 68.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.694 0.621 . . . . 0.3 109.672 174.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -45.16 57.97 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.816 -0.809 . . . . 2.95 108.816 -177.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.792 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 99.2 t -65.51 -47.43 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.737 -0.838 . . . . 0.51 108.737 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -46.84 -59.54 3.0 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.793 -1.099 . . . . 2.38 111.45 170.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -48.6 -43.81 36.45 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.704 1.138 . . . . 0.55 110.318 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -59.28 -48.81 80.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.377 0.671 . . . . 0.35 112.467 177.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD12 HG12 ' A' ' 56' ' ' VAL . 52.2 mt -71.31 -38.66 71.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.166 0.986 . . . . 1.01 110.286 -175.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -58.07 7.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.405 -0.816 . . . . 2.66 110.522 166.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -60.89 -35.3 76.29 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.998 1.272 . . . . 5.13 111.609 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -20.51 66.38 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.926 0.49 . . . . 0.65 111.801 177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.68 37.71 3.89 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.413 1.006 . . . . 0.6 111.541 172.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -127.6 122.96 34.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.626 0.713 . . . . 2.12 109.177 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m -81.39 114.31 20.07 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.976 -1.49 . . . . 2.0 106.976 174.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.559 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.1 pp -110.52 -179.61 3.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.311 0.644 . . . . 0.81 110.979 173.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.61 128.63 37.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.003 -2.221 . . . . 3.23 105.003 163.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 115.65 5.27 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 125.486 1.515 . . . . 3.67 107.372 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.418 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 6.5 mm-40 -90.88 165.21 13.72 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 123.11 1.433 . . . . 2.78 112.373 174.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -63.75 169.71 3.88 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 113.25 -1.795 . . . . 5.79 110.889 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.86 56.35 3.39 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.871 0.868 . . . . 2.42 110.281 -173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 61.55 55.96 2.65 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.67 1.188 . . . . 2.14 109.531 -164.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--O 1.256 1.413 0 CA-C-O 115.681 -2.105 . . . . 5.32 108.395 -165.909 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 113.677 0.992 . . . . 5.46 113.677 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -48.34 113.81 1.66 Allowed Glycine 0 C--N 1.336 0.574 0 C-N-CA 124.113 0.863 . . . . 1.45 111.616 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.0 m -122.71 144.74 48.96 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.665 -0.865 . . . . 0.92 108.665 -179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -99.14 113.51 25.78 Favored 'General case' 0 N--CA 1.443 -0.797 0 CA-C-N 114.362 -1.29 . . . . 5.62 109.587 -174.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.622 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.6 m-85 -98.1 141.63 30.8 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 124.784 1.234 . . . . 2.05 112.076 172.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 4.7 m -123.38 151.57 42.43 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 123.607 0.763 . . . . 2.08 110.506 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.792 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -140.31 159.22 42.68 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 1.1 109.506 171.414 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 21.7 mtpt -110.66 120.19 41.6 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 105.379 -2.082 . . . . 1.87 105.379 172.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -109.38 160.06 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.311 1.044 . . . . 1.09 109.357 -179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.74 113.81 15.19 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.636 -1.246 . . . . 0.88 107.636 166.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.21 -26.19 2.97 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 126.543 2.021 . . . . 0.89 112.628 173.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.36 77.23 8.26 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 121.184 -1.186 . . . . 2.05 112.288 -168.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -142.56 69.13 1.31 Allowed 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 121.786 0.803 . . . . 3.44 110.669 166.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.9 t -162.96 149.57 12.6 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 121.804 -0.56 . . . . 2.29 111.104 172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.94 63.71 3.0 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 113.565 0.95 . . . . 2.92 113.565 -169.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.6 -47.28 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 127.172 2.189 . . . . 0.85 109.383 -177.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.4 p -68.22 -31.71 71.4 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.879 -0.786 . . . . 2.68 108.879 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -56.48 -47.02 80.12 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 120.502 -0.479 . . . . 0.49 111.249 172.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 41.2 mtt85 -63.58 -53.24 54.81 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 108.45 -0.945 . . . . 3.41 108.45 178.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -52.04 -37.75 54.64 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.446 -0.784 . . . . 4.15 111.991 -178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.51 -61.87 1.14 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.286 0.634 . . . . 0.59 110.873 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.437 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.4 pt-20 -61.67 -41.44 97.55 Favored 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 119.461 1.028 . . . . 1.77 108.444 -171.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.8 m-80 -62.85 -34.86 78.25 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 124.405 1.082 . . . . 0.54 110.745 179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -56.8 -24.76 53.05 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.442 0.565 . . . . 0.46 112.225 168.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.578 HG12 HG21 ' A' ' 32' ' ' VAL . 4.0 t -95.07 -44.78 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 C-N-CA 124.642 1.177 . . . . 1.67 111.141 177.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -61.36 -29.87 70.17 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.376 -1.452 . . . . 2.89 110.18 -173.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.62 -12.21 21.71 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 113.978 1.103 . . . . 0.52 113.978 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.435 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -71.87 -119.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.165 0.893 . . . . 0.45 109.276 176.29 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.21 -48.91 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.181 0 O-C-N 121.498 -0.751 . . . . 0.3 109.36 -176.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.88 -20.62 79.74 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-N 115.662 -0.699 . . . . 0.46 112.407 -176.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 HG12 ' A' ' 26' ' ' VAL . 69.5 t -62.85 134.21 28.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 109.083 -0.71 . . . . 0.44 109.083 174.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -142.84 21.37 1.97 Allowed 'General case' 0 C--O 1.226 -0.182 0 N-CA-C 112.557 0.577 . . . . 2.34 112.557 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -178.99 143.18 0.21 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.821 2.048 . . . . 1.39 106.008 174.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.9 m -140.38 138.46 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 C-N-CA 125.056 1.342 . . . . 2.72 108.398 -175.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.411 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 5.1 mt-30 -131.82 87.7 2.48 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.577 1.151 . . . . 1.83 108.663 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -95.19 109.71 22.86 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 C-N-CA 125.068 1.347 . . . . 1.71 107.524 173.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.8 tp -112.33 116.17 29.93 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.933 0.893 . . . . 0.5 109.141 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 26.6 m-85 -62.37 167.61 4.09 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.198 0.599 . . . . 2.66 111.669 170.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.33 -50.43 0.55 Allowed 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 127.04 2.136 . . . . 1.19 112.643 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -71.7 -26.11 62.36 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.45 -0.781 . . . . 0.98 109.429 171.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 57.54 38.62 28.01 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 122.678 1.227 . . . . 4.23 108.993 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.77 128.08 54.53 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 106.409 -1.7 . . . . 1.37 106.409 -171.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -99.98 139.07 36.18 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 107.971 -1.122 . . . . 1.11 107.971 -178.228 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.411 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 9.4 t -130.13 147.86 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.85 0 O-C-N 124.412 1.07 . . . . 0.68 110.237 160.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.1 t -138.56 120.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.945 1.698 . . . . 0.37 106.635 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -100.35 113.36 26.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 106.45 -1.685 . . . . 2.26 106.45 175.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.26 140.09 35.67 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.238 0.615 . . . . 0.49 109.422 -173.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.13 58.01 4.81 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 109.385 -0.598 . . . . 1.9 109.385 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 163.21 151.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 127.313 2.245 . . . . 1.77 109.009 178.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.425 ' OD2' ' NH1' ' A' ' 53' ' ' ARG . 14.3 t0 -70.67 125.08 25.83 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 108.562 -0.903 . . . . 3.3 108.562 169.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -139.8 27.19 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.547 -0.909 . . . . 0.53 108.547 169.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' NH1' ' OD2' ' A' ' 51' ' ' ASP . 49.6 mtm-85 -63.59 -43.76 96.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 121.149 -0.97 . . . . 2.49 111.2 -169.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.45 -32.43 68.72 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.694 0.621 . . . . 0.3 109.672 174.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.19 -45.16 57.97 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.816 -0.809 . . . . 2.95 108.816 -177.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.792 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 99.2 t -65.51 -47.43 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 N-CA-C 108.737 -0.838 . . . . 0.51 108.737 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 63.4 tt0 -46.84 -59.54 3.0 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-O 117.793 -1.099 . . . . 2.38 111.45 170.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -48.6 -43.81 36.45 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.704 1.138 . . . . 0.55 110.318 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.421 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -59.28 -48.81 80.21 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 123.377 0.671 . . . . 0.35 112.467 177.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD12 HG12 ' A' ' 56' ' ' VAL . 52.2 mt -71.31 -38.66 71.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.166 0.986 . . . . 1.01 110.286 -175.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -58.07 7.6 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.405 -0.816 . . . . 2.66 110.522 166.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -60.89 -35.3 76.29 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 119.998 1.272 . . . . 5.13 111.609 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 -20.51 66.38 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.926 0.49 . . . . 0.65 111.801 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.68 37.71 3.89 Favored Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.413 1.006 . . . . 0.6 111.541 172.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -127.6 122.96 34.52 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 117.626 0.713 . . . . 2.12 109.177 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.0 m -81.39 114.31 20.07 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 106.976 -1.49 . . . . 2.0 106.976 174.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.559 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.1 pp -110.52 -179.61 3.81 Favored 'General case' 0 N--CA 1.451 -0.422 0 C-N-CA 123.311 0.644 . . . . 0.81 110.979 173.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.7 mtt-85 -132.61 128.63 37.56 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.003 -2.221 . . . . 3.23 105.003 163.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -64.32 115.65 5.27 Favored 'General case' 0 N--CA 1.435 -1.181 0 C-N-CA 125.486 1.515 . . . . 3.67 107.372 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.418 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 6.5 mm-40 -90.88 165.21 13.72 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-O 123.11 1.433 . . . . 2.78 112.373 174.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -63.75 169.71 3.88 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 113.25 -1.795 . . . . 5.79 110.889 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.86 56.35 3.39 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.871 0.868 . . . . 2.42 110.281 -173.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 61.55 55.96 2.65 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 124.67 1.188 . . . . 2.14 109.531 -164.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 . . . . . 0 C--O 1.256 1.413 0 CA-C-O 115.681 -2.105 . . . . 5.32 108.395 -165.909 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m . . . . . 0 CA--C 1.534 0.36 0 N-CA-C 108.738 -0.838 . . . . 4.96 108.738 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 118.49 133.32 4.76 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 109.508 -1.437 . . . . 1.2 109.508 -176.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 m -141.12 133.9 28.84 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 118.515 1.158 . . . . 0.91 109.573 163.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.24 112.25 24.3 Favored 'General case' 0 N--CA 1.44 -0.961 0 CA-C-N 114.383 -1.28 . . . . 4.73 107.871 -178.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.726 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 34.0 m-85 -103.78 128.64 51.17 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.627 0.603 . . . . 1.83 112.627 169.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.454 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 5.6 m -108.79 149.15 29.47 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 124.114 0.884 . . . . 2.12 110.213 175.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.867 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -135.3 167.24 21.39 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.164 0.586 . . . . 1.09 111.338 166.821 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.6 ptmt -117.88 105.92 12.43 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 126.6 1.96 . . . . 2.89 106.227 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.6 HG21 HD23 ' A' ' 44' ' ' LEU . 11.8 t -108.2 144.49 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 119.704 1.138 . . . . 0.98 108.534 -170.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.9 99.25 5.66 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.177 -1.046 . . . . 0.9 108.177 178.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.5 -34.9 0.82 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 123.483 0.563 . . . . 0.76 111.698 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 27.6 ptm -69.79 95.71 0.92 Allowed 'General case' 0 CA--C 1.536 0.426 0 O-C-N 122.326 -0.514 . . . . 2.07 111.518 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -148.91 82.68 1.45 Allowed 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.908 -0.495 . . . . 2.74 109.798 163.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 49.3 t -155.16 -95.57 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.092 0.557 . . . . 2.16 110.577 174.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.82 -58.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 125.206 1.403 . . . . 2.15 108.345 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.75 -33.99 50.87 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.787 -0.642 . . . . 0.93 110.831 171.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 m -72.26 -41.44 66.73 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.423 -0.954 . . . . 1.78 108.423 -177.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -59.7 -44.02 93.85 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 110.216 -0.291 . . . . 0.5 110.216 177.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -60.51 -55.08 37.71 Favored 'General case' 0 N--CA 1.439 -0.975 0 C-N-CA 118.589 -1.244 . . . . 3.05 109.719 174.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -49.11 -39.59 28.95 Favored 'General case' 0 CA--C 1.533 0.32 0 O-C-N 121.544 -0.722 . . . . 3.54 112.409 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.492 HG13 HD21 ' A' ' 60' ' ' LEU . 54.1 t -56.53 -62.7 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.577 0 CA-C-N 118.862 0.755 . . . . 0.48 109.944 170.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -59.54 -46.45 88.85 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.237 -1.394 . . . . 1.96 107.237 -168.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -61.55 -36.96 82.09 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 124.677 1.191 . . . . 0.56 110.342 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -22.13 42.54 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.676 0.621 . . . . 0.4 112.676 170.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.639 HG12 HG21 ' A' ' 32' ' ' VAL . 11.8 t -95.75 -44.9 13.14 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 124.624 1.17 . . . . 1.65 110.81 173.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mtm180 -61.32 -30.77 70.71 Favored 'General case' 0 C--N 1.33 -0.252 0 O-C-N 119.906 -1.746 . . . . 2.36 110.69 -173.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -61.92 -14.61 36.09 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 114.126 1.158 . . . . 0.48 114.126 176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 26' ' ' VAL . 1.2 mt -66.33 -109.22 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.279 0.945 . . . . 0.49 110.303 -178.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 176.67 -49.85 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.29 1.436 . . . . 0.43 108.642 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.74 -6.65 78.33 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.457 -0.792 . . . . 0.68 113.378 -176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.639 HG21 HG12 ' A' ' 26' ' ' VAL . 43.1 t -75.45 143.97 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 124.72 1.208 . . . . 0.52 109.16 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -114.32 -43.81 3.17 Favored 'General case' 0 CA--C 1.521 -0.16 0 O-C-N 123.166 0.291 . . . . 2.71 110.348 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -161.93 145.22 12.04 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 107.114 -1.439 . . . . 1.33 107.114 -172.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.8 m -139.13 149.06 23.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.81 0 N-CA-C 107.755 -1.202 . . . . 2.19 107.755 -177.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -139.16 99.03 3.65 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-O 123.016 1.389 . . . . 1.81 109.631 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 m -90.18 122.53 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 127.37 2.268 . . . . 1.46 106.717 -177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 15.2 tp -128.04 113.79 16.25 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 107.946 -1.131 . . . . 0.46 107.946 -175.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.653 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 35.2 m-85 -67.4 164.21 19.13 Favored 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 123.97 0.794 . . . . 2.78 111.686 173.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 74.97 -48.3 0.64 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 128.259 2.624 . . . . 1.36 110.134 175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.43 -24.65 67.92 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.929 0.492 . . . . 1.05 110.171 162.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 50.37 31.45 5.38 Favored 'General case' 0 C--N 1.345 0.376 0 C-N-CA 125.239 1.416 . . . . 3.8 111.54 -178.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.66 131.36 54.48 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.561 -1.2 . . . . 2.83 108.567 -172.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.6 HD23 HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -96.94 133.73 41.2 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 104.413 -2.44 . . . . 1.81 104.413 -178.301 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.0 t -132.62 132.85 59.87 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.588 0 O-C-N 124.26 0.975 . . . . 0.75 110.194 163.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.8 t -130.2 118.25 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.975 0 C-N-CA 125.923 1.689 . . . . 0.37 106.995 178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.14 112.35 24.35 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 107.219 -1.4 . . . . 2.19 107.219 173.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.79 131.77 15.24 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 114.776 -1.102 . . . . 0.66 108.877 -169.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.68 56.24 2.63 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 108.834 -0.802 . . . . 2.28 108.834 -168.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 165.69 150.13 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.487 1.515 . . . . 1.93 109.391 -172.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -73.96 103.47 4.47 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.849 1.66 . . . . 4.36 110.817 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pp -132.85 26.31 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 C-N-CA 123.808 0.843 . . . . 0.53 111.024 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -67.57 -49.63 62.25 Favored 'General case' 0 CA--C 1.51 -0.578 0 O-C-N 120.835 -1.166 . . . . 3.78 111.225 -170.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.31 -32.12 62.21 Favored 'General case' 0 N--CA 1.449 -0.48 0 O-C-N 124.299 0.999 . . . . 0.28 109.099 172.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -46.76 63.28 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 108.067 -1.086 . . . . 2.6 108.067 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.867 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 42.9 t -65.84 -50.26 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 CA-C-N 115.74 -0.664 . . . . 0.4 109.418 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -44.16 -54.61 5.46 Favored 'General case' 0 C--O 1.226 -0.167 0 CA-C-O 117.907 -1.044 . . . . 2.6 112.331 172.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.6 t -53.37 -44.35 68.52 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.966 1.257 . . . . 0.6 110.507 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.04 88.75 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.202 0.601 . . . . 0.43 112.018 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.743 HD12 HG12 ' A' ' 56' ' ' VAL . 3.7 mt -64.49 -44.06 92.17 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 108.722 -0.844 . . . . 1.11 108.722 178.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -56.17 13.65 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.279 -0.873 . . . . 2.95 110.183 174.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -60.98 -48.58 81.17 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.177 0.436 . . . . 5.98 112.177 179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -52.79 -36.33 58.12 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.907 0.883 . . . . 0.78 110.999 178.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.91 50.91 0.19 Allowed Glycine 0 C--N 1.336 0.576 0 N-CA-C 111.113 -0.795 . . . . 0.68 111.113 164.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -134.24 145.42 49.12 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 117.293 0.546 . . . . 2.11 110.037 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.4 m -94.12 123.51 37.55 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 107.119 -1.437 . . . . 1.46 107.119 170.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.607 ' CD2' HD13 ' A' ' 60' ' ' LEU . 3.1 pp -135.17 175.16 9.83 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.002 -0.74 . . . . 0.82 109.002 168.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -137.22 138.01 39.7 Favored 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 103.555 -2.758 . . . . 3.49 103.555 175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -54.42 100.58 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.733 0 CA-C-O 122.936 1.35 . . . . 3.15 110.807 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.54 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.7 OUTLIER -82.55 174.21 11.26 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.528 -1.286 . . . . 2.27 107.528 -178.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -67.84 174.66 3.5 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.467 -1.396 . . . . 4.09 112.897 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.62 -76.01 0.21 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.694 0.798 . . . . 2.03 109.295 176.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.04 -47.11 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.092 1.757 . . . . 2.58 109.26 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.259 1.578 0 N-CA-C 102.569 -3.122 . . . . 6.17 102.569 161.047 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t . . . . . 0 CA--C 1.535 0.386 0 CA-C-O 121.106 0.479 . . . . 4.94 110.62 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.72 176.34 11.24 Favored Glycine 0 C--N 1.336 0.554 0 CA-C-O 121.456 0.475 . . . . 1.33 112.592 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.7 m -98.97 148.82 23.6 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.578 -0.897 . . . . 0.93 108.578 -176.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -97.6 124.78 42.01 Favored 'General case' 0 N--CA 1.441 -0.925 0 N-CA-C 107.356 -1.35 . . . . 4.56 107.356 177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.446 ' HB3' ' HZ2' ' A' ' 8' ' ' TRP . 49.8 m-85 -129.45 142.11 50.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 118.294 -0.86 . . . . 2.43 112.181 176.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t -123.57 160.15 27.67 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.377 1.621 . . . . 2.46 115.377 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.635 ' CD1' HD13 ' A' ' 67' ' ' LEU . 5.7 m-90 -140.86 147.24 38.64 Favored 'General case' 0 C--N 1.343 0.305 0 C-N-CA 126.012 1.725 . . . . 2.4 109.638 172.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.02 97.44 8.59 Favored 'General case' 0 C--N 1.343 0.317 0 N-CA-C 107.481 -1.303 . . . . 3.06 107.481 178.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.866 HG21 HD23 ' A' ' 44' ' ' LEU . 3.6 t -96.46 100.12 10.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 121.76 0.791 . . . . 1.96 109.69 -163.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -100.14 92.58 5.29 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 105.618 -1.993 . . . . 0.91 105.618 -175.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.56 -36.28 0.47 Allowed Glycine 0 CA--C 1.525 0.658 0 CA-C-N 114.796 -1.093 . . . . 1.01 110.597 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.47 101.66 3.01 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.087 -1.045 . . . . 2.0 112.282 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 26.1 t0 -139.21 93.62 2.71 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 110.192 -0.299 . . . . 3.09 110.192 162.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 168.02 145.43 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 C-N-CA 126.268 1.827 . . . . 2.39 108.817 169.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 51.49 0.49 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.821 1.248 . . . . 2.43 111.798 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.34 -50.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 126.483 1.913 . . . . 1.13 107.825 -169.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.4 m -67.64 -37.19 82.1 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 107.578 -1.267 . . . . 2.37 107.578 170.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.73 -50.71 43.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.009 -0.542 . . . . 1.01 111.078 166.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -62.01 -42.07 98.75 Favored 'General case' 0 N--CA 1.444 -0.732 0 O-C-N 120.862 -1.149 . . . . 3.29 110.932 176.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -45.95 -42.03 12.39 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.154 -0.966 . . . . 2.9 112.241 175.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.031 HG11 HD21 ' A' ' 44' ' ' LEU . 46.0 t -58.47 -64.55 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 CA-C-N 118.375 0.534 . . . . 0.48 110.208 175.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -58.87 -43.69 90.92 Favored 'General case' 0 C--O 1.219 -0.505 0 N-CA-C 106.97 -1.493 . . . . 2.28 106.97 -166.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -62.07 -42.44 99.2 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 123.97 0.908 . . . . 0.81 110.639 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.05 66.21 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.334 0.515 . . . . 0.58 112.318 172.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.439 HG12 HG11 ' A' ' 32' ' ' VAL . 67.3 t -80.87 -42.08 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 C-N-CA 123.598 0.759 . . . . 1.75 109.857 173.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -66.24 -38.63 88.35 Favored 'General case' 0 N--CA 1.461 0.11 0 O-C-N 120.467 -1.396 . . . . 2.32 111.171 -173.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -57.2 -14.68 4.45 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 114.48 1.289 . . . . 0.63 114.48 -178.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.8 mt -65.72 -108.63 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.891 0.876 . . . . 0.86 111.491 179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.99 -51.05 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 124.615 1.166 . . . . 0.39 108.732 -176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.09 -5.71 87.21 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.449 -0.796 . . . . 0.78 113.661 -173.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.439 HG11 HG12 ' A' ' 26' ' ' VAL . 37.6 t -74.39 146.51 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 118.371 1.085 . . . . 0.38 108.107 174.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.8 -52.13 1.69 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 118.786 -0.626 . . . . 2.46 111.383 171.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -126.94 103.05 7.27 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-N 119.458 1.026 . . . . 3.36 110.243 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.8 p -82.75 142.51 13.5 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 O-C-N 121.283 -0.885 . . . . 1.38 108.753 171.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -132.14 107.98 8.98 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.908 1.283 . . . . 2.67 108.183 171.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -98.24 113.93 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 106.633 -1.618 . . . . 1.57 106.633 172.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.6 tp -100.85 82.31 2.39 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 105.607 -1.997 . . . . 0.57 105.607 175.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 3.4 t80 -69.21 77.75 0.36 Allowed 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 108.089 -1.078 . . . . 3.04 108.089 170.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -168.94 -62.15 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 126.991 2.117 . . . . 2.23 105.971 169.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.6 m -93.29 48.85 1.34 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.029 1.332 . . . . 1.45 110.106 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 31.49 32.2 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 129.344 3.058 . . . . 5.48 118.086 172.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -121.57 140.68 51.92 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 121.047 -1.033 . . . . 1.81 111.701 -165.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.031 HD21 HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -98.47 127.28 44.34 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 104.309 -2.478 . . . . 1.41 104.309 160.335 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.0 p -123.41 118.13 53.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 107.708 -1.219 . . . . 2.11 107.708 155.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.44 120.66 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 C-N-CA 126.861 2.065 . . . . 0.79 109.159 -174.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -97.47 110.63 23.15 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.15 -1.426 . . . . 2.23 107.15 170.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.36 132.05 39.0 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 114.9 -1.046 . . . . 0.53 109.333 -176.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.8 56.69 3.76 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.403 -0.592 . . . . 2.07 109.403 -178.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 157.53 151.82 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 127.601 2.36 . . . . 1.91 108.331 -174.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -72.3 129.53 38.64 Favored 'General case' 0 N--CA 1.457 -0.091 0 N-CA-C 108.795 -0.817 . . . . 3.34 108.795 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.456 HD13 HG23 ' A' ' 56' ' ' VAL . 1.7 pp -141.8 21.07 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 109.026 -0.731 . . . . 0.67 109.026 171.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.2 mtm-85 -69.94 -37.16 75.8 Favored 'General case' 0 CA--C 1.495 -1.135 0 C-N-CA 117.36 -1.736 . . . . 3.06 109.698 -169.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.23 -32.9 38.91 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 119.07 0.85 . . . . 0.74 109.527 173.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.38 -50.44 18.58 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.126 -0.694 . . . . 2.5 109.126 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.616 HG11 ' CZ3' ' A' ' 8' ' ' TRP . 13.5 t -62.49 -48.14 89.67 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.51 110.033 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.9 -52.98 63.08 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 125.062 1.345 . . . . 3.02 107.611 -177.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.8 m -46.51 -53.16 11.81 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.605 0.638 . . . . 2.15 111.69 170.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.71 96.6 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 112.912 0.708 . . . . 0.32 112.912 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.432 HD21 HG13 ' A' ' 22' ' ' VAL . 61.2 mt -70.02 -43.23 71.77 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.686 1.194 . . . . 1.1 108.455 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.33 -51.79 63.6 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.967 -0.753 . . . . 3.65 108.967 174.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -58.04 -49.48 76.74 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.187 0.195 . . . . 3.82 110.761 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.42 -38.2 68.66 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.036 0.934 . . . . 0.43 110.899 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.31 52.67 0.14 Allowed Glycine 0 C--N 1.335 0.507 0 N-CA-C 110.432 -1.067 . . . . 0.68 110.432 169.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -128.18 173.52 10.04 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.711 0.804 . . . . 2.05 109.419 176.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 73.7 p -130.81 135.01 47.34 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 107.091 -1.448 . . . . 2.13 107.091 169.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.635 HD13 ' CD1' ' A' ' 8' ' ' TRP . 2.5 pp -156.23 170.16 22.89 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 126.918 2.087 . . . . 0.87 107.919 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -150.17 99.88 2.85 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 125.249 1.419 . . . . 3.61 107.523 -172.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . 0.341 1.3 p-10 -27.64 103.41 0.02 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 114.505 1.298 . . . . 2.72 114.505 -167.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -80.79 164.47 22.7 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.377 -1.283 . . . . 3.88 108.258 -173.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' HA ' HE21 ' A' ' 71' ' ' GLN . 0.1 OUTLIER -56.71 144.28 33.13 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 113.297 -1.774 . . . . 5.16 109.574 179.196 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.4 -56.78 17.47 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.643 -0.873 . . . . 1.64 108.643 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -177.37 176.06 1.37 Allowed 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 127.457 2.303 . . . . 2.46 105.545 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 . . . . . 0 C--O 1.257 1.465 0 N-CA-C 104.278 -2.49 . . . . 5.91 104.278 170.837 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 107.004 -1.48 . . . . 5.19 107.004 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.03 156.22 9.53 Favored Glycine 0 CA--C 1.518 0.229 0 C-N-CA 125.65 1.595 . . . . 1.56 109.882 178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.5 m -142.0 142.47 32.93 Favored 'General case' 0 CA--C 1.512 -0.505 0 O-C-N 121.463 -1.022 . . . . 0.92 109.924 173.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -95.2 124.69 39.38 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 106.954 -1.499 . . . . 3.28 106.954 176.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.636 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 12.1 m-85 -105.78 140.99 37.97 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 126.44 1.896 . . . . 1.85 113.507 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.45 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 9.2 m -115.95 145.19 43.13 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 124.196 0.998 . . . . 2.04 111.088 178.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.747 ' CZ2' HG11 ' A' ' 56' ' ' VAL . 1.3 m-90 -132.41 164.97 25.35 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.579 1.152 . . . . 1.1 109.52 170.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.57 110.3 16.28 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 106.68 -1.6 . . . . 2.61 106.68 174.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.3 t -108.07 158.44 7.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 107.872 -1.159 . . . . 1.0 107.872 -174.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.8 112.46 7.53 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 105.423 -2.066 . . . . 1.4 105.423 167.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.31 -13.79 3.01 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-O 119.005 -0.886 . . . . 1.46 113.022 173.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -73.12 35.71 0.08 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.549 1.674 . . . . 2.4 113.319 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.439 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.1 m-20 -99.95 66.8 1.39 Allowed 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 121.499 -0.75 . . . . 5.19 109.224 -152.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 38.8 t -158.34 -75.32 0.08 Allowed 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 112.71 0.633 . . . . 2.59 112.71 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 157.51 -65.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 127.503 2.321 . . . . 2.08 107.882 -171.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.54 -34.99 62.76 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 121.936 0.874 . . . . 0.78 110.989 174.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.4 m -71.48 -30.41 65.95 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 123.587 0.755 . . . . 1.99 109.883 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.82 92.34 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.222 -0.658 . . . . 0.59 109.222 175.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 98.7 mtt180 -59.74 -52.94 63.34 Favored 'General case' 0 N--CA 1.438 -1.053 0 C-N-CA 119.609 -0.837 . . . . 3.11 109.768 170.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -48.83 -39.69 26.45 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.088 -1.007 . . . . 4.08 112.311 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 57.6 t -58.4 -57.5 10.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 118.802 0.728 . . . . 0.62 111.87 172.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.498 ' O ' HG22 ' A' ' 26' ' ' VAL . 14.4 pt-20 -63.25 -43.94 96.59 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 108.096 -1.076 . . . . 1.82 108.096 -174.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -65.47 -31.97 73.33 Favored 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 121.169 -0.957 . . . . 0.6 111.055 -178.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.33 -25.15 32.98 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 118.678 -0.677 . . . . 0.59 111.922 169.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.611 HG12 HG13 ' A' ' 56' ' ' VAL . 7.8 m -103.29 -39.15 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-N 118.905 0.775 . . . . 1.78 113.054 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -58.73 -27.28 64.76 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.56 -0.713 . . . . 3.71 110.598 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -67.09 -13.03 61.54 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 113.618 0.969 . . . . 0.6 113.618 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.499 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -72.23 -115.74 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.176 0.99 . . . . 0.62 109.6 -176.228 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.1 -48.92 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 124.441 1.096 . . . . 0.29 108.565 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.52 -14.71 82.18 Favored Glycine 0 CA--C 1.533 1.197 0 CA-C-N 115.543 -0.753 . . . . 0.44 112.992 -175.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.77 130.23 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.871 0.868 . . . . 0.44 109.902 173.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 39.5 m-20 -98.57 -55.65 2.68 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.138 0.975 . . . . 2.23 108.839 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -153.72 121.45 5.96 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 122.928 0.491 . . . . 1.8 110.235 -168.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.9 p -105.66 141.77 20.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 126.258 1.823 . . . . 1.44 110.615 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -131.62 94.06 3.45 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 125.476 1.511 . . . . 1.75 109.697 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 t -90.99 101.13 12.16 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 C-N-CA 125.526 1.53 . . . . 2.2 108.192 173.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.3 tp -97.19 74.81 2.55 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.268 -1.753 . . . . 0.59 106.268 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.439 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.7 t80 -61.1 102.44 0.21 Allowed 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 106.68 -1.6 . . . . 3.44 106.68 167.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 149.79 -37.35 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.282 2.633 . . . . 2.0 109.254 -171.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.5 m -118.49 19.25 13.39 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.01 0.524 . . . . 1.21 110.502 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 39.32 36.96 0.23 Allowed 'General case' 0 CA--C 1.52 -0.185 0 C-N-CA 127.75 2.42 . . . . 3.46 114.292 177.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.34 128.12 42.47 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 107.735 -1.209 . . . . 1.3 107.735 -177.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.99 141.27 31.96 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 106.405 -1.702 . . . . 1.82 106.405 174.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.9 t -122.57 142.87 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.446 0 CA-C-N 118.578 0.626 . . . . 0.73 111.417 161.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.27 117.16 24.02 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 N-CA-C 106.94 -1.504 . . . . 0.38 106.94 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.57 120.48 38.03 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 106.974 -1.491 . . . . 2.66 106.974 172.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.72 149.39 37.09 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.587 1.155 . . . . 0.55 111.36 -169.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -95.9 58.31 1.9 Allowed 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.975 0.91 . . . . 2.23 110.149 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 161.45 157.65 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 127.161 2.184 . . . . 1.67 107.894 177.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -78.49 118.76 20.93 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 120.001 1.273 . . . . 3.39 108.892 172.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 56' ' ' VAL . 2.3 pp -139.18 26.55 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 C-N-CA 123.011 0.524 . . . . 0.61 109.743 177.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 mtm-85 -62.02 -48.02 82.15 Favored 'General case' 0 CA--C 1.517 -0.316 0 O-C-N 121.563 -0.71 . . . . 2.81 111.006 -173.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.44 -30.54 60.69 Favored 'General case' 0 N--CA 1.452 -0.373 0 O-C-N 123.885 0.74 . . . . 0.41 110.042 174.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -78.83 -40.9 31.54 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 109.007 -0.738 . . . . 2.11 109.007 -175.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.747 HG11 ' CZ2' ' A' ' 8' ' ' TRP . 78.0 t -64.7 -47.99 86.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 N-CA-C 109.397 -0.594 . . . . 0.49 109.397 175.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -46.0 -62.19 1.43 Allowed 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 118.162 -0.923 . . . . 2.23 109.965 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.2 t -48.1 -46.24 33.68 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.652 0.66 . . . . 0.53 110.086 -175.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -49.32 78.21 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.978 0.732 . . . . 0.33 112.978 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.629 HD12 HG12 ' A' ' 56' ' ' VAL . 9.3 mt -67.6 -44.66 77.55 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 123.705 0.802 . . . . 1.02 110.246 -176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.03 -49.87 70.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.492 -0.776 . . . . 2.23 109.451 174.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.5 tttm -62.09 -41.55 98.31 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 122.329 -0.232 . . . . 3.84 111.357 176.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -37.95 76.29 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.628 0.771 . . . . 0.52 110.587 179.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.31 54.89 0.19 Allowed Glycine 0 C--N 1.336 0.555 0 C-N-CA 124.224 0.916 . . . . 0.56 110.931 168.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -136.95 164.01 29.35 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 108.738 -0.838 . . . . 1.81 108.738 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.4 m -109.22 124.83 51.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 106.496 -1.668 . . . . 1.52 106.496 170.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.545 HD12 ' C ' ' A' ' 67' ' ' LEU . 3.4 pp -135.66 176.96 8.2 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.18 -1.045 . . . . 0.79 108.18 168.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.3 mtm180 -136.15 129.04 31.14 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 104.758 -2.312 . . . . 4.39 104.758 168.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.84 112.24 0.74 Allowed 'General case' 0 N--CA 1.448 -0.571 0 C-N-CA 123.936 0.894 . . . . 4.18 109.106 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.437 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 1.4 tm-20 -83.95 -174.73 5.45 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 114.829 -1.078 . . . . 2.58 109.492 -178.06 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -63.0 168.66 3.85 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-O 122.041 0.925 . . . . 4.41 109.248 171.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.35 -80.92 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 108.71 -0.848 . . . . 1.99 108.71 174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.44 143.43 39.67 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.588 -1.634 . . . . 2.28 106.588 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 . . . . . 0 C--O 1.248 1.024 0 N-CA-C 106.907 -1.516 . . . . 5.96 106.907 158.094 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 C--O 1.232 0.14 0 N-CA-C 109.549 -0.537 . . . . 5.43 109.549 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.8 -149.06 11.94 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 110.484 -1.046 . . . . 1.31 110.484 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.2 158.74 20.95 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 121.473 0.654 . . . . 1.15 109.269 173.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -99.37 144.29 28.65 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 124.942 1.297 . . . . 6.68 107.991 176.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.647 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 29.8 m-85 -132.56 125.47 30.59 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 124.65 1.18 . . . . 1.99 108.75 176.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.404 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 70.9 m -99.89 156.78 16.95 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.091 0.956 . . . . 1.96 109.289 172.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.647 ' CZ3' ' HB3' ' A' ' 6' ' ' TYR . 5.6 m-90 -140.04 160.82 39.07 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 125.535 1.534 . . . . 1.11 108.49 167.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -114.7 123.38 49.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 105.954 -1.869 . . . . 2.3 105.954 167.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 t -109.04 174.72 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.637 0 C-N-CA 125.379 1.472 . . . . 1.23 109.562 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.31 109.45 4.13 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.315 1.046 . . . . 0.99 109.152 169.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 144.3 -37.44 1.39 Allowed Glycine 0 CA--C 1.531 1.052 0 CA-C-N 119.271 0.941 . . . . 0.98 113.24 167.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.6 ptm -69.3 86.85 0.42 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.232 1.013 . . . . 2.16 111.253 -178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -136.7 71.79 1.42 Allowed 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.463 1.028 . . . . 2.76 111.781 172.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.0 m -147.52 -94.99 0.08 Allowed 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.959 0.904 . . . . 2.35 110.754 177.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.8 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.342 0.264 0 C-N-CA 124.988 1.315 . . . . 2.03 109.41 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.88 -27.29 68.03 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.785 -0.572 . . . . 0.92 111.669 176.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.2 p -75.48 -38.0 59.85 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.858 0.863 . . . . 2.86 109.19 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.611 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.33 -38.79 84.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 109.165 -0.68 . . . . 0.48 109.165 174.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 53.9 mtt85 -58.37 -51.14 71.07 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 118.999 -1.08 . . . . 2.72 111.097 171.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttp -52.84 -40.06 63.05 Favored 'General case' 0 CA--C 1.536 0.442 0 O-C-N 120.304 -1.498 . . . . 2.89 112.751 177.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.424 ' CG1' HD21 ' A' ' 44' ' ' LEU . 79.7 t -57.76 -55.69 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.728 0.811 . . . . 0.7 111.34 173.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' O ' HG22 ' A' ' 26' ' ' VAL . 16.6 pt-20 -67.44 -45.89 74.71 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 108.403 -0.962 . . . . 1.88 108.403 -174.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -64.24 -31.21 72.32 Favored 'General case' 0 N--CA 1.449 -0.486 0 O-C-N 120.777 -1.202 . . . . 0.61 110.558 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.54 -24.27 60.27 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.272 -0.87 . . . . 0.49 112.978 169.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.477 HG12 HG13 ' A' ' 56' ' ' VAL . 33.6 m -99.21 -39.48 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 119.655 1.116 . . . . 1.8 111.7 174.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -60.27 -25.49 65.75 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 121.353 -0.842 . . . . 3.66 110.72 -176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -71.37 -13.58 61.91 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.045 0.938 . . . . 0.54 113.286 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -122.04 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 108.956 -0.757 . . . . 0.58 108.956 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.98 -47.85 0.02 OUTLIER 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 108.584 -0.895 . . . . 0.31 108.584 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -76.61 -13.92 83.0 Favored Glycine 0 CA--C 1.532 1.104 0 CA-C-N 115.517 -0.765 . . . . 0.41 112.836 -177.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.3 t -57.22 136.29 20.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 123.567 0.747 . . . . 0.41 110.554 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 -106.03 -53.28 2.66 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 106.618 -1.623 . . . . 2.41 106.618 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -151.69 170.62 19.29 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.876 -0.786 . . . . 2.16 108.876 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -145.77 142.91 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 124.596 1.158 . . . . 1.56 109.641 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -132.87 94.47 3.39 Favored 'General case' 0 N--CA 1.447 -0.579 0 C-N-CA 125.844 1.658 . . . . 1.84 108.971 176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.425 HG12 HD21 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -91.37 119.75 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 106.497 -1.668 . . . . 1.73 106.497 168.591 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.9 tp -121.0 114.21 21.19 Favored 'General case' 0 N--CA 1.448 -0.559 0 N-CA-C 108.632 -0.877 . . . . 0.54 108.632 174.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 25.3 m-85 -60.09 160.39 8.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 124.188 0.995 . . . . 2.57 111.858 172.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.61 -45.2 0.61 Allowed 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.744 2.018 . . . . 1.53 112.012 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.5 m -68.51 -27.19 65.9 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.901 -0.777 . . . . 1.29 108.901 165.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 53.93 42.02 31.83 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.494 1.118 . . . . 4.42 108.84 -176.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.7 134.03 51.27 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 104.274 -2.491 . . . . 1.45 104.274 -174.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -105.15 135.61 46.18 Favored 'General case' 0 N--CA 1.413 -2.322 0 O-C-N 125.184 1.553 . . . . 1.24 108.683 164.58 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.7 t -123.68 142.9 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 O-C-N 124.384 1.053 . . . . 0.66 108.742 158.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.45 HG21 HG11 ' A' ' 26' ' ' VAL . 60.6 t -135.4 124.85 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 N-CA-C 105.556 -2.016 . . . . 0.4 105.556 175.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.26 121.95 44.39 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 105.555 -2.017 . . . . 2.4 105.555 175.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -143.74 139.03 29.23 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.614 0.571 . . . . 0.54 111.537 -171.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -80.59 58.51 3.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.835 0.854 . . . . 2.32 109.589 175.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 158.91 154.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 127.486 2.314 . . . . 1.75 109.531 175.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -71.9 117.43 13.49 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.867 1.267 . . . . 4.14 109.392 171.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.5 pp -144.2 24.15 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 O-C-N 121.938 -0.476 . . . . 0.67 110.378 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.2 mtm-85 -60.32 -45.69 92.52 Favored 'General case' 0 CA--C 1.513 -0.48 0 O-C-N 121.422 -0.799 . . . . 2.49 111.389 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.06 -33.78 65.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 123.697 0.623 . . . . 0.28 110.074 174.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -79.28 -38.61 34.97 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 109.617 -0.512 . . . . 2.24 109.617 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.625 HG11 ' CZ2' ' A' ' 8' ' ' TRP . 91.4 t -64.2 -53.69 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 C-N-CA 119.171 -1.012 . . . . 0.56 108.406 171.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -44.45 -58.16 3.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 118.013 -0.994 . . . . 2.43 111.508 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -47.0 -45.83 21.33 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.028 0.831 . . . . 0.54 110.835 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.81 -49.21 73.76 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.1 -0.375 . . . . 0.26 111.988 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.86 -45.35 94.88 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.937 1.295 . . . . 2.47 110.423 179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.22 -53.38 51.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.328 -0.851 . . . . 2.44 109.182 174.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 tttm -62.12 -41.43 98.24 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.633 0.235 . . . . 4.08 111.633 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.93 -30.97 69.41 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 124.46 1.104 . . . . 0.6 110.611 -178.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.28 45.02 0.5 Allowed Glycine 0 C--N 1.334 0.467 0 N-CA-C 111.173 -0.771 . . . . 0.51 111.173 164.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -137.29 145.69 43.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 107.695 -1.224 . . . . 2.27 107.695 173.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 p -87.52 134.39 33.62 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 106.097 -1.816 . . . . 1.5 106.097 166.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.6 pp -128.86 175.56 8.54 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.076 -0.713 . . . . 0.95 109.076 166.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.8 mtt-85 -127.53 131.78 50.02 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 105.37 -2.085 . . . . 3.03 105.37 167.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -69.87 135.1 49.18 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.376 -1.342 . . . . 2.37 107.376 174.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.32 169.31 9.44 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 113.292 -1.776 . . . . 3.0 110.41 -175.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.99 129.21 36.98 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 124.312 1.045 . . . . 4.11 108.718 168.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -49.34 -71.32 0.07 Allowed 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.068 0.947 . . . . 1.63 110.619 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -172.04 140.73 1.24 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.93 2.092 . . . . 4.17 106.204 167.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 . . . . . 0 C--O 1.251 1.137 0 O-C-N 125.022 1.451 . . . . 9.84 109.867 -172.689 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 105.792 -1.929 . . . . 5.72 105.792 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.29 172.61 53.5 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 109.271 -1.532 . . . . 2.05 109.271 166.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.4 m -131.94 140.05 48.89 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.768 0.827 . . . . 1.44 109.999 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.55 125.7 51.34 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 113.764 -1.562 . . . . 3.87 108.104 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.588 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.8 m-85 -102.91 133.89 47.25 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 128.191 2.596 . . . . 2.4 111.05 171.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.433 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 51.8 p -116.04 154.6 29.61 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.731 0.812 . . . . 2.14 111.424 174.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.784 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -140.21 157.88 44.9 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.879 0.871 . . . . 1.09 109.577 170.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.482 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 3.0 mppt? -106.78 119.57 39.68 Favored 'General case' 0 CA--C 1.516 -0.341 0 N-CA-C 105.715 -1.957 . . . . 2.16 105.715 166.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.3 t -107.57 177.7 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 C-N-CA 125.236 1.414 . . . . 1.58 107.827 174.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.65 117.26 4.68 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.388 -2.078 . . . . 1.18 105.388 163.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.55 -10.68 4.33 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 115.554 0.982 . . . . 1.0 115.554 167.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -75.29 57.95 0.92 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 119.575 1.687 . . . . 2.14 113.208 -176.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 12.7 m-20 -90.47 69.38 6.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 O-C-N 121.765 -0.585 . . . . 4.63 112.447 -171.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -177.38 142.56 0.34 Allowed 'General case' 0 CA--C 1.517 -0.301 0 O-C-N 121.61 -0.681 . . . . 2.58 110.944 166.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.42 -49.43 74.55 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 121.425 0.631 . . . . 2.17 110.562 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.61 -15.39 51.28 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 112.806 0.669 . . . . 1.91 112.806 177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.4 m -97.64 -29.56 13.34 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.17 0.988 . . . . 2.7 110.778 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.94 -39.99 63.31 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 109.308 -0.627 . . . . 0.52 109.308 167.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HA ' ' HG2' ' A' ' 23' ' ' GLU 0.255 1.7 mpt_? -57.36 -45.45 84.37 Favored 'General case' 0 N--CA 1.442 -0.834 0 C-N-CA 119.058 -1.057 . . . . 3.09 112.674 170.03 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.85 -40.74 73.31 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 120.084 -1.635 . . . . 4.23 111.064 177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.1 t -59.15 -57.65 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 123.359 0.664 . . . . 0.73 110.647 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 18.4 pt-20 -64.59 -42.79 95.35 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 108.386 -0.968 . . . . 2.07 108.386 -173.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -67.47 -35.28 78.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.55 0.74 . . . . 0.65 109.666 -175.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.69 -19.29 15.78 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 112.507 0.558 . . . . 0.45 112.507 169.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.597 HG22 HG13 ' A' ' 56' ' ' VAL . 45.6 t -97.73 -43.37 12.06 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 124.348 1.059 . . . . 1.76 110.276 172.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 mtm-85 -60.5 -25.01 65.76 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 120.125 -1.61 . . . . 2.88 111.702 -176.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.99 -12.57 55.98 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.938 0.895 . . . . 0.57 113.2 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -118.28 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.164 0.986 . . . . 0.76 109.074 -177.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.78 -48.58 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 124.388 1.075 . . . . 0.38 108.771 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.11 -22.76 78.71 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.354 -0.839 . . . . 0.55 112.837 -176.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.552 HG21 HG12 ' A' ' 26' ' ' VAL . 53.4 t -56.09 140.13 14.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 122.02 -0.694 . . . . 0.45 110.774 178.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -108.96 -46.13 3.67 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 109.624 -0.51 . . . . 2.46 109.624 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -160.49 149.26 16.86 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 106.403 -1.703 . . . . 1.36 106.403 -172.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.6 m -142.46 150.61 18.39 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 O-C-N 121.422 -0.799 . . . . 2.23 109.324 -174.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -142.81 98.16 3.23 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 122.523 1.154 . . . . 1.77 110.079 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -91.0 122.46 42.42 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 C-N-CA 127.286 2.235 . . . . 1.54 105.947 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.3 tp -110.2 77.08 1.02 Allowed 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 106.236 -1.764 . . . . 0.6 106.236 175.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.0 t80 -63.94 89.49 0.05 Allowed 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 107.203 -1.406 . . . . 3.48 107.203 168.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 170.03 -41.86 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 129.179 2.992 . . . . 1.99 107.932 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -108.72 16.59 22.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.774 0.829 . . . . 1.25 110.971 -176.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 43.93 38.89 2.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.134 1.774 . . . . 4.17 113.06 177.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -132.34 127.95 36.62 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.068 -1.086 . . . . 1.54 108.068 -171.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -105.21 140.26 38.62 Favored 'General case' 0 N--CA 1.423 -1.819 0 C-N-CA 124.694 1.198 . . . . 1.09 108.77 178.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 42.1 t -136.47 140.19 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.889 0 O-C-N 124.602 1.188 . . . . 0.74 110.668 167.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 51.4 t -129.47 130.12 67.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 C-N-CA 126.079 1.752 . . . . 0.4 106.524 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -109.51 115.13 29.35 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 106.584 -1.635 . . . . 2.73 106.584 176.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.425 ' HB2' ' HA ' ' A' ' 32' ' ' VAL . . . -153.1 150.14 28.82 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 123.587 0.755 . . . . 0.64 109.704 -172.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -110.99 55.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.79 0.805 . . . . 2.44 108.87 -167.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -169.58 -35.08 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.846 1.054 . . . . 2.79 113.846 -177.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.4 t0 79.85 124.48 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 127.786 2.434 . . . . 3.51 109.086 -170.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 56' ' ' VAL . 1.5 pp -146.44 34.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 C-N-CA 125.2 1.4 . . . . 0.64 107.742 176.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.4 mtm-85 -61.7 -45.54 93.55 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.321 -0.862 . . . . 2.45 111.466 -171.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.59 -33.45 68.2 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 123.567 0.542 . . . . 0.29 110.175 175.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.89 -46.57 52.01 Favored 'General case' 0 N--CA 1.447 -0.615 0 N-CA-C 108.936 -0.764 . . . . 3.19 108.936 -177.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.784 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.0 t -64.72 -47.77 87.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.856 0 N-CA-C 108.46 -0.941 . . . . 0.36 108.46 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.411 ' HA ' HD21 ' A' ' 67' ' ' LEU . 78.9 tt0 -46.31 -61.51 1.76 Allowed 'General case' 0 C--O 1.216 -0.666 0 CA-C-O 117.349 -1.31 . . . . 2.4 110.004 170.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.5 t -45.97 -46.72 16.5 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.95 1.25 . . . . 0.59 110.736 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.2 -49.45 77.57 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.579 0.585 . . . . 0.29 112.579 177.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.403 HD12 HG12 ' A' ' 56' ' ' VAL . 81.7 mt -69.08 -40.56 78.38 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 124.277 1.031 . . . . 1.03 111.677 -176.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -49.86 -51.4 40.57 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.702 1.201 . . . . 2.96 107.843 169.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -64.27 -43.28 95.31 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 122.208 -0.308 . . . . 4.29 111.71 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.34 -35.53 62.83 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.797 0.839 . . . . 0.75 110.643 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 116.21 44.59 0.61 Allowed Glycine 0 C--N 1.334 0.433 0 N-CA-C 111.071 -0.812 . . . . 0.86 111.071 165.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -133.67 136.79 44.96 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.836 -1.172 . . . . 2.48 107.836 173.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.7 m -83.26 118.38 23.6 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 107.6 -1.259 . . . . 1.86 107.6 173.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.505 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.6 pp -109.83 175.25 5.51 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 123.464 0.477 . . . . 0.86 111.346 169.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -128.68 135.83 49.79 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 105.342 -2.096 . . . . 3.42 105.342 163.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -72.81 120.24 18.16 Favored 'General case' 0 N--CA 1.434 -1.229 0 N-CA-C 106.863 -1.532 . . . . 2.97 106.863 -179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.482 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 2.5 mm-40 -88.8 177.68 6.65 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-O 122.326 1.06 . . . . 2.85 111.825 177.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? -56.15 165.47 1.0 Allowed 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 113.788 -1.551 . . . . 4.37 110.966 165.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.94 -82.75 0.14 Allowed 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 114.976 -1.011 . . . . 1.5 108.662 174.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.17 143.05 15.08 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 105.522 -2.029 . . . . 4.07 105.522 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.251 1.155 0 O-C-N 124.706 1.254 . . . . 8.47 110.568 -167.83 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.872 -0.418 . . . . 6.26 109.872 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.96 162.63 38.84 Favored Glycine 0 CA--C 1.528 0.871 0 N-CA-C 110.86 -0.896 . . . . 2.23 110.86 174.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 m -99.82 157.92 16.16 Favored 'General case' 0 CA--C 1.521 -0.168 0 C-N-CA 123.646 0.778 . . . . 1.64 109.848 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.557 HH12 ' HB2' ' A' ' 73' ' ' ALA . 7.8 ptt85 -141.3 166.87 23.58 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 115.0 -1.0 . . . . 4.14 110.11 170.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.576 ' HB3' ' HZ2' ' A' ' 8' ' ' TRP . 54.4 m-85 -143.18 152.26 41.58 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 127.001 2.12 . . . . 1.88 111.089 -170.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.2 t -114.95 161.66 18.0 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.125 1.528 . . . . 2.39 115.125 174.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.611 ' HZ3' HG11 ' A' ' 56' ' ' VAL . 7.5 m-90 -140.69 151.67 44.72 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.683 1.993 . . . . 2.51 109.834 169.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.16 101.26 11.0 Favored 'General case' 0 C--N 1.344 0.346 0 C-N-CA 125.377 1.471 . . . . 2.08 107.877 178.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -101.1 117.63 46.64 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-N 118.79 0.723 . . . . 1.33 109.383 -163.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -103.48 95.61 6.19 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 107.389 -1.337 . . . . 1.03 107.389 -177.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.12 -38.39 0.97 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.843 -0.503 . . . . 0.79 111.843 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -69.46 101.89 1.67 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 117.492 0.646 . . . . 2.2 111.05 -177.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -152.93 73.02 0.98 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.059 0.944 . . . . 3.18 110.301 162.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -171.43 146.18 2.22 Favored 'General case' 0 C--O 1.237 0.411 0 O-C-N 121.33 -0.856 . . . . 2.59 112.651 172.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.78 65.38 0.71 Allowed 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.346 1.458 . . . . 2.9 112.219 -175.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.81 -52.84 0.01 OUTLIER 'General case' 0 C--O 1.234 0.271 0 C-N-CA 127.463 2.305 . . . . 0.87 106.881 -173.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.3 m -63.83 -38.18 90.15 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 107.963 -1.125 . . . . 1.89 107.963 176.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.799 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -50.5 -47.47 57.31 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 123.505 0.503 . . . . 0.72 110.914 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -68.7 -47.27 66.82 Favored 'General case' 0 N--CA 1.435 -1.206 0 C-N-CA 119.446 -0.902 . . . . 2.59 109.38 178.757 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -48.24 -42.41 30.33 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 118.855 0.752 . . . . 3.06 112.034 177.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.456 ' CG1' HD21 ' A' ' 44' ' ' LEU . 55.8 t -57.04 -61.58 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 123.659 0.783 . . . . 0.57 110.331 174.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.2 pt-20 -61.69 -44.79 96.26 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.495 -1.298 . . . . 2.14 107.495 -171.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -60.92 -39.4 89.26 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.183 0.993 . . . . 0.66 109.733 -176.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.18 -20.72 43.29 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.907 0.706 . . . . 0.39 112.907 172.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.6 t -95.61 -45.77 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 125.233 1.413 . . . . 1.61 108.949 175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mtm180 -61.56 -30.17 70.49 Favored 'General case' 0 C--N 1.333 -0.129 0 O-C-N 119.732 -1.855 . . . . 2.32 111.088 -174.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -60.86 -14.38 21.66 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.5 0.926 . . . . 0.97 113.5 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.63 -118.63 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.641 0.655 . . . . 0.59 110.11 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.46 -49.29 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 123.911 0.884 . . . . 0.4 109.285 -174.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.84 -15.48 75.17 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-N 115.801 -0.636 . . . . 0.47 112.742 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.3 t -51.68 136.04 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 123.293 0.637 . . . . 0.62 109.47 164.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -117.43 -45.99 2.7 Favored 'General case' 0 N--CA 1.458 -0.045 0 C-N-CA 123.179 0.592 . . . . 3.26 109.606 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -139.02 162.83 33.96 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.625 1.17 . . . . 1.63 107.944 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.6 p -154.46 132.23 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 108.36 -0.978 . . . . 1.48 108.36 -173.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.64 105.2 8.31 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.989 1.316 . . . . 4.69 109.31 179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.6 118.57 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 C-N-CA 126.453 1.901 . . . . 1.57 106.211 172.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.9 tp -124.83 110.38 14.22 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 108.053 -1.091 . . . . 0.43 108.053 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.799 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 23.2 m-85 -68.02 162.88 23.54 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.51 0.671 . . . . 3.0 112.339 175.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 75.97 -41.38 0.43 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 128.565 2.746 . . . . 1.28 110.734 177.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.8 m -75.27 -17.77 60.23 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.837 0.855 . . . . 0.97 110.588 169.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 49.26 39.04 14.93 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 124.996 1.318 . . . . 3.67 112.723 -177.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -105.9 137.26 44.1 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 108.018 -1.105 . . . . 1.61 108.018 176.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.61 HD12 ' HE3' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -97.8 132.81 43.08 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 104.703 -2.332 . . . . 1.44 104.703 160.722 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.3 p -131.48 134.2 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 CA-C-N 119.412 1.005 . . . . 2.07 108.928 154.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 t -129.46 121.87 54.21 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.427 0 N-CA-C 107.009 -1.478 . . . . 0.64 107.009 -166.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -103.27 103.45 13.48 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.673 -1.603 . . . . 2.72 106.673 -175.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -141.6 130.31 22.83 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.77 0.828 . . . . 0.77 109.157 -169.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -86.4 51.54 2.25 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.417 -0.216 . . . . 2.54 110.417 -171.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 168.25 147.17 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 108.023 -1.103 . . . . 2.63 108.023 -167.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -77.68 113.97 16.07 Favored 'General case' 0 CA--C 1.528 0.131 0 N-CA-C 108.967 -0.753 . . . . 3.76 108.967 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.433 HD13 HG23 ' A' ' 56' ' ' VAL . 1.6 pp -141.22 23.06 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 123.574 0.75 . . . . 0.59 110.891 179.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' HD2' ' CZ2' ' A' ' 8' ' ' TRP . 13.2 mtm180 -72.34 -27.81 62.65 Favored 'General case' 0 CA--C 1.505 -0.769 0 O-C-N 120.964 -1.085 . . . . 2.99 110.63 -172.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.9 -37.19 71.07 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 119.564 -0.854 . . . . 0.69 109.244 168.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.9 -47.18 26.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 109.185 -0.672 . . . . 2.75 109.185 -175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.611 HG11 ' HZ3' ' A' ' 8' ' ' TRP . 40.6 t -62.55 -50.27 80.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.991 -0.744 . . . . 0.38 108.991 179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' HA ' HD11 ' A' ' 67' ' ' LEU 0.28 31.8 tt0 -60.88 -50.61 72.72 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.783 -1.103 . . . . 3.33 109.292 -179.246 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.4 t -47.18 -52.18 16.36 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.454 1.025 . . . . 0.57 111.165 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.75 79.43 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.545 0.738 . . . . 0.25 111.818 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.6 mt -64.3 -45.81 86.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.514 1.126 . . . . 1.07 109.806 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -50.6 65.21 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 109.221 -0.659 . . . . 2.14 109.221 175.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -60.88 -48.8 80.16 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 116.792 -0.186 . . . . 3.68 110.799 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.11 -39.92 69.9 Favored 'General case' 0 CA--C 1.528 0.103 0 C-N-CA 124.358 1.063 . . . . 0.52 111.102 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.1 52.85 0.09 OUTLIER Glycine 0 C--N 1.335 0.51 0 N-CA-C 110.976 -0.85 . . . . 0.95 110.976 170.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -132.86 168.69 17.94 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.735 0.814 . . . . 2.47 109.379 177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 66.1 m -131.21 128.48 40.02 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 107.511 -1.292 . . . . 1.53 107.511 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.496 HD12 ' CD1' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -145.72 174.97 10.74 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 126.478 1.911 . . . . 1.74 107.981 -179.648 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 68' ' ' ARG . 0.8 OUTLIER -148.76 73.75 1.24 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 124.313 1.045 . . . . 6.62 108.714 -172.421 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 31.43 54.43 0.24 Allowed 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 115.814 1.783 . . . . 3.73 115.814 159.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -72.03 168.02 18.94 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 120.735 -1.228 . . . . 3.06 110.967 -161.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -51.61 174.94 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.304 1.041 . . . . 4.11 112.973 167.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -136.95 55.15 1.84 Allowed 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 121.598 -0.689 . . . . 2.29 109.614 -167.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.557 ' HB2' HH12 ' A' ' 5' ' ' ARG . . . 63.51 74.16 0.43 Allowed 'General case' 0 C--N 1.337 0.063 0 C-N-CA 124.474 1.11 . . . . 2.53 108.025 -168.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 C--O 1.249 1.062 0 O-C-N 125.136 1.523 . . . . 6.17 108.326 -159.419 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.234 0.253 0 N-CA-C 106.945 -1.502 . . . . 4.87 106.945 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 113.11 129.01 4.99 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 108.278 -1.929 . . . . 1.21 108.278 -175.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.12 146.86 51.8 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 108.443 -0.947 . . . . 0.85 108.443 175.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -98.37 141.24 31.49 Favored 'General case' 0 N--CA 1.438 -1.061 0 CA-C-N 113.615 -1.629 . . . . 3.48 108.896 177.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.586 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 9.5 m-85 -125.13 119.28 28.14 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 127.108 2.163 . . . . 2.34 110.065 174.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.424 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 79.7 p -99.62 148.11 24.66 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.98 0.809 . . . . 2.07 110.731 174.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.834 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -136.21 159.16 42.58 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 125.123 1.369 . . . . 1.1 108.532 164.559 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.2 mtpp -110.46 110.64 21.46 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 105.353 -2.091 . . . . 2.55 105.353 175.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.504 HG21 HD23 ' A' ' 44' ' ' LEU . 1.6 t -99.77 170.8 1.41 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 119.089 0.858 . . . . 1.09 109.284 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.79 113.19 7.28 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.314 -0.995 . . . . 0.89 108.314 169.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 135.5 -23.78 3.41 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.716 1.627 . . . . 0.96 111.891 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 tmm? -79.35 82.81 5.45 Favored 'General case' 0 N--CA 1.443 -0.794 0 O-C-N 121.517 -0.99 . . . . 2.24 110.226 -177.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -146.64 61.2 1.21 Allowed 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.424 0.63 . . . . 3.68 111.447 168.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.4 m -136.53 -96.66 0.22 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.753 0.821 . . . . 2.32 111.435 174.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.36 -62.23 0.03 OUTLIER 'General case' 0 C--O 1.235 0.296 0 C-N-CA 124.028 0.931 . . . . 2.01 109.276 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.95 -29.54 70.31 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.628 0.771 . . . . 0.92 111.214 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 45.8 t -72.36 -45.81 58.21 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.546 -0.909 . . . . 2.86 108.546 -175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -54.86 -45.55 74.58 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.448 -0.342 . . . . 0.61 110.606 176.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 29.6 mtt85 -63.37 -51.32 66.37 Favored 'General case' 0 N--CA 1.432 -1.368 0 C-N-CA 118.754 -1.178 . . . . 4.25 110.0 175.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.94 -46.27 10.91 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.735 1.152 . . . . 3.29 112.121 177.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.123 HG11 HD21 ' A' ' 44' ' ' LEU . 56.1 t -57.54 -63.39 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-O 119.294 -0.384 . . . . 0.58 110.414 174.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 12.3 pt-20 -60.33 -36.01 76.98 Favored 'General case' 0 C--O 1.214 -0.794 0 C-N-CA 118.727 -1.189 . . . . 2.06 108.111 -170.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -63.12 -40.1 96.62 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.443 1.497 . . . . 0.74 110.591 177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.54 -19.85 27.88 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.899 0.88 . . . . 0.42 112.263 170.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.589 HG22 HG13 ' A' ' 56' ' ' VAL . 60.1 t -98.63 -46.64 12.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 125.056 1.343 . . . . 1.76 110.389 177.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -61.55 -30.91 70.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 120.406 -1.433 . . . . 2.64 109.674 -175.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -63.94 -15.35 58.95 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 117.722 -1.132 . . . . 0.49 113.57 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -102.86 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.457 1.026 . . . . 0.52 110.014 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 173.68 -50.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.439 1.496 . . . . 0.46 108.564 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.71 -24.76 73.75 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.34 -0.846 . . . . 0.67 112.741 -171.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.476 HG11 HG12 ' A' ' 26' ' ' VAL . 54.0 t -51.41 137.6 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 123.694 0.798 . . . . 0.36 109.889 174.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -99.92 -51.68 3.64 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 107.497 -1.297 . . . . 2.21 107.497 172.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -149.1 163.68 36.88 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.29 -1.004 . . . . 1.58 108.29 -170.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -155.44 134.18 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 N-CA-C 107.805 -1.183 . . . . 1.57 107.805 -177.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -125.82 102.28 7.23 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.268 1.427 . . . . 2.59 107.738 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.5 m -94.51 134.43 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 126.932 2.093 . . . . 1.62 105.726 175.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.7 tp -128.26 118.38 23.19 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.866 0.466 . . . . 0.52 109.965 -178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 17.7 m-85 -60.7 163.77 5.26 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 125.827 1.651 . . . . 2.5 112.701 171.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 65.29 -52.4 0.35 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 127.488 2.315 . . . . 1.4 112.393 -174.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 m -67.56 -27.49 66.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.468 1.107 . . . . 1.1 110.552 173.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 55.61 38.1 29.74 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 124.944 1.297 . . . . 4.22 110.264 -174.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.03 129.32 36.36 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 108.159 -1.052 . . . . 1.39 108.159 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.123 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -102.45 120.09 39.93 Favored 'General case' 0 CA--C 1.506 -0.712 0 N-CA-C 105.754 -1.943 . . . . 1.64 105.754 167.357 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.8 t -125.93 110.91 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.546 0 N-CA-C 109.167 -0.679 . . . . 0.79 109.167 168.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.0 t -103.21 135.03 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 C-N-CA 123.722 0.809 . . . . 0.41 109.102 173.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.36 111.69 18.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.822 1.249 . . . . 2.25 108.093 178.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.578 ' HB3' ' HE2' ' A' ' 6' ' ' TYR . . . -133.38 -179.58 5.6 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.328 1.451 . . . . 1.24 109.585 -175.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.06 51.56 2.03 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 124.155 0.982 . . . . 2.16 109.008 -176.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.441 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 10.7 p-10 -175.23 -34.25 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 114.273 1.212 . . . . 2.8 114.273 -167.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.8 t70 73.43 115.1 0.06 Allowed 'General case' 0 C--N 1.34 0.154 0 C-N-CA 126.608 1.963 . . . . 3.68 111.627 -175.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -147.02 33.27 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 N-CA-C 108.147 -1.057 . . . . 0.58 108.147 -173.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.7 mtm-85 -61.13 -46.17 91.69 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 121.667 -0.646 . . . . 2.67 110.864 -172.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.01 -32.01 69.33 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 123.776 0.673 . . . . 0.3 110.649 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -75.74 -40.91 54.7 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 121.611 -0.68 . . . . 2.72 109.207 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.834 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.9 t -66.56 -50.24 68.31 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 N-CA-C 108.379 -0.971 . . . . 0.41 108.379 178.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.486 ' HA ' HD21 ' A' ' 67' ' ' LEU . 7.4 tm-20 -44.05 -63.17 0.92 Allowed 'General case' 0 C--O 1.22 -0.456 0 CA-C-O 117.127 -1.416 . . . . 3.27 110.868 168.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 21.8 t -48.38 -43.52 33.88 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 120.44 1.473 . . . . 0.59 110.813 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.64 -51.84 63.44 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 112.724 0.638 . . . . 0.34 112.724 177.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.658 HD21 HG13 ' A' ' 22' ' ' VAL . 32.8 mt -62.27 -43.6 98.45 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.487 1.115 . . . . 1.04 109.939 -178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.12 -56.84 9.29 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.628 1.171 . . . . 2.89 108.939 172.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -61.21 -45.62 93.8 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 121.286 -0.166 . . . . 3.98 111.122 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.61 -32.64 67.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.032 0.933 . . . . 0.46 110.728 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.69 38.69 0.57 Allowed Glycine 0 CA--C 1.522 0.491 0 C-N-CA 124.321 0.962 . . . . 0.68 111.594 164.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -128.18 120.67 27.75 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 117.739 0.769 . . . . 2.21 109.443 -178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -81.71 114.95 20.71 Favored 'General case' 0 N--CA 1.444 -0.771 0 N-CA-C 107.542 -1.281 . . . . 1.45 107.542 175.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.594 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.2 pp -112.73 -178.13 3.32 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.168 0.987 . . . . 0.85 110.455 176.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.0 mtt-85 -134.43 119.02 18.05 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 107.109 -1.441 . . . . 2.94 107.109 166.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.42 109.62 0.72 Allowed 'General case' 0 N--CA 1.442 -0.863 0 C-N-CA 125.697 1.599 . . . . 4.2 109.193 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.25 177.53 5.82 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 122.262 1.03 . . . . 2.92 111.329 -173.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -56.93 168.71 0.6 Allowed 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 125.134 1.374 . . . . 3.55 110.993 164.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.7 -61.39 2.39 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.646 -0.706 . . . . 2.1 110.288 176.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.89 161.97 41.68 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.696 1.198 . . . . 2.34 108.003 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 . . . . . 0 C--O 1.256 1.438 0 N-CA-C 103.586 -2.746 . . . . 7.77 103.586 172.182 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m . . . . . 0 CA--C 1.535 0.376 0 N-CA-C 110.585 -0.154 . . . . 5.51 110.585 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 137.08 103.89 0.67 Allowed Glycine 0 C--N 1.335 0.519 0 N-CA-C 109.759 -1.337 . . . . 1.23 109.759 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.26 154.88 31.54 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.883 -0.784 . . . . 0.91 108.883 168.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -106.57 135.99 47.14 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 125.189 1.556 . . . . 3.34 108.514 172.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.607 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 30.3 m-85 -122.55 131.85 54.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.449 1.1 . . . . 2.5 112.174 172.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.0 m -108.03 147.38 31.22 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.212 0.945 . . . . 1.99 110.929 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.636 ' CZ2' HG11 ' A' ' 56' ' ' VAL . 1.2 m-90 -137.51 159.87 40.75 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.883 1.673 . . . . 1.1 108.881 168.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.456 ' HD2' ' HG2' ' A' ' 70' ' ' GLU . 6.1 ptmt -122.44 123.27 40.93 Favored 'General case' 0 C--N 1.339 0.126 0 C-N-CA 126.633 1.973 . . . . 1.89 107.558 174.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.473 HG13 ' HB3' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -120.09 -176.65 1.12 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 C-N-CA 125.723 1.609 . . . . 1.34 111.643 -177.04 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -150.5 123.58 8.81 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.151 1.78 . . . . 1.48 107.467 173.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.25 -20.21 4.24 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 125.685 1.612 . . . . 0.84 113.802 171.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.42 82.92 3.74 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 124.172 0.989 . . . . 5.11 111.35 -175.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -139.12 85.91 2.1 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 109.071 -0.714 . . . . 3.2 109.071 160.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 53.1 t -154.43 -93.92 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.693 -0.63 . . . . 2.6 110.484 173.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -164.51 -59.36 0.03 OUTLIER 'General case' 0 C--O 1.232 0.139 0 C-N-CA 123.85 0.86 . . . . 1.97 108.977 174.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.12 -33.52 67.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.089 0.956 . . . . 0.76 111.795 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 22.3 m -69.13 -34.06 74.44 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.503 -0.925 . . . . 1.68 108.503 -175.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -61.29 -46.28 90.96 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 120.486 -0.485 . . . . 0.63 110.197 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -61.38 -50.98 70.68 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 118.893 -1.123 . . . . 3.83 110.17 174.371 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -44.61 -47.0 10.37 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.773 1.17 . . . . 3.12 112.021 176.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.8 t -58.39 -60.85 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 C-N-CA 123.571 0.748 . . . . 0.48 110.907 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.404 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 15.2 pt-20 -63.43 -37.24 86.53 Favored 'General case' 0 C--O 1.217 -0.631 0 C-N-CA 118.62 -1.232 . . . . 1.98 108.433 -172.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -64.48 -36.56 84.58 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.74 1.216 . . . . 0.64 110.503 179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -21.38 24.25 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.878 0.471 . . . . 0.46 112.234 169.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.576 HG22 HG13 ' A' ' 56' ' ' VAL . 45.8 t -103.91 -41.33 7.0 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 124.931 1.292 . . . . 1.84 110.857 -178.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -63.54 -32.63 74.15 Favored 'General case' 0 C--N 1.329 -0.303 0 O-C-N 119.932 -1.73 . . . . 2.48 109.566 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -61.71 -13.07 19.69 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 114.357 1.243 . . . . 0.53 114.357 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.9 mt -68.61 -110.36 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.544 1.066 . . . . 0.58 109.37 179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 179.85 -48.97 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 124.457 1.103 . . . . 0.43 109.02 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.2 -9.99 85.36 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-N 115.504 -0.771 . . . . 0.53 113.355 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.444 HG21 HG12 ' A' ' 26' ' ' VAL . 49.0 t -64.33 150.65 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.019 0.928 . . . . 0.54 109.231 170.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -140.27 -6.24 1.22 Allowed 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 115.059 1.503 . . . . 2.58 115.059 166.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -158.24 145.45 17.93 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 105.222 -2.14 . . . . 1.52 105.222 -176.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.4 m -147.02 128.26 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.333 0 C-N-CA 124.485 1.114 . . . . 2.76 108.907 -169.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -127.96 92.11 3.4 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.027 0.931 . . . . 1.81 110.153 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.411 HG22 HD21 ' A' ' 44' ' ' LEU . 12.7 t -92.9 101.5 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 126.372 1.869 . . . . 2.15 108.208 173.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.8 tp -104.01 110.63 22.87 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.6 -0.889 . . . . 0.49 108.6 177.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -59.26 165.79 2.5 Favored 'General case' 0 CA--C 1.52 -0.179 0 C-N-CA 123.596 0.758 . . . . 2.24 111.198 168.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.5 -50.15 0.66 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 126.345 1.858 . . . . 1.18 111.94 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -70.52 -24.89 62.91 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.256 -0.646 . . . . 1.01 109.256 167.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 56.3 37.97 29.33 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 124.946 1.298 . . . . 4.55 108.773 178.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.55 130.35 54.19 Favored 'General case' 0 CA--C 1.505 -0.751 0 N-CA-C 105.937 -1.875 . . . . 1.43 105.937 -166.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -99.83 136.01 40.39 Favored 'General case' 0 N--CA 1.414 -2.246 0 N-CA-C 108.02 -1.104 . . . . 1.16 108.02 -178.168 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.0 t -123.39 147.55 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.898 0 O-C-N 124.469 1.106 . . . . 0.71 110.385 154.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.1 t -134.04 125.44 48.45 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.854 0 N-CA-C 105.816 -1.92 . . . . 0.38 105.816 172.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -104.54 120.72 41.92 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 106.471 -1.677 . . . . 2.33 106.471 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -152.6 122.41 6.94 Favored 'General case' 0 CA--C 1.522 -0.111 0 C-N-CA 123.04 0.536 . . . . 0.78 111.179 -163.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.48 57.71 2.65 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.271 -0.64 . . . . 2.33 109.271 -169.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -173.06 -29.9 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 115.085 1.513 . . . . 3.07 115.085 -179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 91.08 106.75 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 126.827 2.051 . . . . 5.01 110.373 171.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 pp -148.14 31.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 123.027 0.531 . . . . 0.52 111.29 -167.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.583 ' HD2' ' HZ3' ' A' ' 8' ' ' TRP . 2.2 mmt180 -54.28 -51.21 65.3 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.58 -0.7 . . . . 4.07 110.642 -175.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.35 -33.74 71.53 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 123.668 0.787 . . . . 0.32 110.179 -179.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -73.69 -42.1 61.71 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 109.222 -0.659 . . . . 2.99 109.222 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.636 HG11 ' CZ2' ' A' ' 8' ' ' TRP . 55.8 t -64.89 -50.74 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 N-CA-C 108.871 -0.789 . . . . 0.47 108.871 177.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -47.06 -60.05 2.72 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 117.822 -1.085 . . . . 2.24 110.834 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.7 t -46.73 -48.49 20.38 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 119.446 1.021 . . . . 0.68 110.579 -179.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.76 84.29 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 112.444 0.535 . . . . 0.36 112.444 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.474 HD12 HG12 ' A' ' 56' ' ' VAL . 66.8 mt -70.6 -40.07 73.42 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 123.915 0.886 . . . . 1.16 111.412 -176.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -49.87 67.94 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.184 -0.673 . . . . 2.6 109.184 169.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.32 -43.47 98.82 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.381 -0.199 . . . . 4.03 111.306 176.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.28 69.06 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.698 0.799 . . . . 0.44 110.609 178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.47 47.35 0.42 Allowed Glycine 0 C--N 1.337 0.584 0 C-N-CA 123.931 0.777 . . . . 0.81 111.501 164.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -138.06 150.17 46.67 Favored 'General case' 0 C--O 1.231 0.083 0 N-CA-C 108.707 -0.849 . . . . 2.05 108.707 175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.0 p -98.64 114.48 26.96 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 107.962 -1.125 . . . . 1.38 107.962 176.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' HB3' HG13 ' A' ' 10' ' ' VAL . 3.7 pp -106.94 176.55 5.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.091 0.556 . . . . 0.78 110.313 166.249 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.4 mtp180 -127.67 147.27 50.37 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 103.713 -2.699 . . . . 4.85 103.713 157.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -65.74 123.34 19.48 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 107.142 -1.429 . . . . 2.8 107.142 171.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG2' ' HD2' ' A' ' 9' ' ' LYS . 1.4 mm-40 -89.65 -179.82 5.86 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.673 -0.694 . . . . 2.53 110.635 176.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.76 174.27 1.47 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 119.502 -0.879 . . . . 4.45 110.939 168.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.89 -67.75 0.75 Allowed 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.55 -0.907 . . . . 1.72 108.55 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.8 -52.41 0.08 Allowed 'General case' 0 C--O 1.23 0.072 0 C-N-CA 124.877 1.271 . . . . 2.45 107.76 179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 C--O 1.249 1.032 0 N-CA-C 104.29 -2.485 . . . . 8.08 104.29 145.238 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 105.279 -2.119 . . . . 4.81 105.279 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -128.64 173.33 19.25 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 107.63 -2.188 . . . . 1.18 107.63 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.08 134.66 30.04 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 117.721 0.761 . . . . 1.86 110.166 -171.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -96.86 140.2 31.77 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.957 1.303 . . . . 5.57 107.532 179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.61 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 39.6 m-85 -134.04 123.33 24.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.873 1.269 . . . . 1.73 109.469 176.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.481 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 61.2 p -101.92 152.05 21.39 Favored 'General case' 0 CA--C 1.534 0.365 0 O-C-N 123.772 0.67 . . . . 2.07 110.943 176.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.81 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -133.86 170.02 16.22 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.654 -1.239 . . . . 1.06 107.654 166.133 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 4.5 mppt? -115.24 120.41 39.62 Favored 'General case' 0 CA--C 1.516 -0.362 0 N-CA-C 105.031 -2.211 . . . . 1.95 105.031 166.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.419 HG21 HD23 ' A' ' 44' ' ' LEU . 2.8 t -103.3 166.16 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.489 0 CA-C-N 118.907 0.776 . . . . 1.15 109.0 -178.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 t -145.05 115.04 7.41 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 107.997 -1.112 . . . . 1.15 107.997 164.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.42 -44.35 0.88 Allowed Glycine 0 CA--C 1.526 0.728 0 C-N-CA 123.448 0.547 . . . . 0.72 112.025 168.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.57 96.34 1.18 Allowed 'General case' 0 CA--C 1.535 0.377 0 O-C-N 122.283 -0.54 . . . . 1.88 111.162 -177.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -143.04 93.25 2.48 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.377 0.671 . . . . 3.12 109.469 166.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.26 -84.07 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 123.627 0.771 . . . . 2.38 109.936 169.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.93 -57.75 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.34 1.456 . . . . 2.18 108.6 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.0 -32.23 63.77 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.998 -0.546 . . . . 0.85 111.615 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.0 m -72.84 -41.38 64.89 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.518 -0.919 . . . . 1.76 108.518 178.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.621 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.46 -40.53 91.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 120.606 -0.437 . . . . 0.55 110.454 174.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 83.8 mtm180 -61.8 -53.74 51.86 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 118.533 -1.267 . . . . 4.6 110.892 171.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -44.66 -46.75 10.38 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 119.853 1.206 . . . . 2.94 111.731 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.726 ' CG1' HD21 ' A' ' 44' ' ' LEU . 29.4 t -58.24 -63.07 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 124.757 1.223 . . . . 0.58 111.59 176.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 24' ' ' ASN . 10.7 pt-20 -56.98 -46.9 81.89 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 105.874 -1.899 . . . . 2.07 105.874 -172.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.478 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 24.3 m-80 -65.19 -37.33 86.99 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 123.316 0.646 . . . . 0.49 109.672 -172.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.53 -21.98 41.49 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.475 0.71 . . . . 0.42 112.78 170.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.448 HG22 HG13 ' A' ' 56' ' ' VAL . 48.1 t -91.96 -50.32 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 125.017 1.327 . . . . 1.69 110.371 172.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -61.23 -26.75 67.96 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 120.147 -1.596 . . . . 2.75 111.202 -171.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -62.37 -14.29 38.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 113.662 0.986 . . . . 0.78 113.662 176.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.61 -119.71 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.177 0.899 . . . . 0.62 109.401 177.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -174.45 -48.84 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.204 0 O-C-N 121.323 -0.861 . . . . 0.48 109.247 -176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.02 -21.99 79.44 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 115.53 -0.759 . . . . 0.6 112.011 -177.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.413 HG11 HG12 ' A' ' 26' ' ' VAL . 72.0 t -53.47 128.63 13.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 108.998 -0.742 . . . . 0.39 108.998 168.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -133.43 -3.32 3.02 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 113.503 0.927 . . . . 2.57 113.503 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -154.96 160.26 40.98 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 105.615 -1.994 . . . . 1.5 105.615 162.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -157.17 136.36 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.999 -1.111 . . . . 1.45 107.999 175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -124.35 111.12 15.42 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 107.713 -1.217 . . . . 2.5 107.713 170.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.6 t -95.4 119.74 43.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 N-CA-C 105.538 -2.023 . . . . 2.15 105.538 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.8 tp -119.42 111.46 18.18 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 108.178 -1.045 . . . . 0.41 108.178 178.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 28.0 m-85 -61.53 159.17 13.46 Favored 'General case' 0 N--CA 1.454 -0.27 0 O-C-N 124.178 0.924 . . . . 2.19 111.74 172.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 75.21 -42.26 0.48 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 128.546 2.739 . . . . 1.42 110.796 174.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.0 m -71.72 -22.41 61.64 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.042 0.937 . . . . 1.12 110.141 164.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 48.59 42.72 19.56 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.842 1.257 . . . . 3.97 111.472 -172.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.68 122.57 39.75 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.317 -1.364 . . . . 1.44 107.317 177.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.726 HD21 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -98.09 118.84 35.6 Favored 'General case' 0 CA--C 1.508 -0.67 0 N-CA-C 103.243 -2.873 . . . . 1.55 103.243 161.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 t -121.93 114.0 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.72 0 N-CA-C 108.635 -0.876 . . . . 0.7 108.635 161.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 73.2 t -102.37 133.9 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 108.026 -1.101 . . . . 0.46 108.026 173.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -111.71 104.84 13.21 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 107.601 -1.259 . . . . 3.03 107.601 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -134.26 134.57 42.1 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.097 0.959 . . . . 0.6 110.421 -170.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -85.66 57.33 4.41 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 108.482 -0.933 . . . . 1.85 108.482 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.24 150.63 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 128.235 2.614 . . . . 1.82 108.707 178.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -74.94 121.67 22.28 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 119.528 1.058 . . . . 3.25 109.375 174.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.424 HD13 HG23 ' A' ' 56' ' ' VAL . 1.8 pp -142.72 23.9 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 N-CA-C 109.608 -0.516 . . . . 0.55 109.608 -179.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.9 mtm-85 -63.2 -44.04 96.45 Favored 'General case' 0 CA--C 1.512 -0.503 0 O-C-N 121.223 -0.923 . . . . 2.72 111.524 -172.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.97 -32.13 65.74 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.016 0.822 . . . . 0.33 109.882 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -78.46 -44.06 25.6 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 109.536 -0.542 . . . . 2.86 109.536 -175.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.81 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 41.4 t -63.86 -46.87 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.817 0 C-N-CA 119.509 -0.876 . . . . 0.37 108.663 177.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -47.81 -60.42 2.59 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 117.945 -1.026 . . . . 2.32 110.999 170.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 20.5 t -46.55 -48.65 19.42 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.346 0.975 . . . . 0.52 110.264 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.61 -51.12 71.18 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.373 0.508 . . . . 0.25 112.373 178.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.421 HD12 HG12 ' A' ' 56' ' ' VAL . 74.1 mt -65.93 -42.02 90.63 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.552 1.141 . . . . 1.02 111.508 -176.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.63 -49.01 77.86 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.636 -0.876 . . . . 2.2 108.636 174.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.8 tmtt? -62.64 -42.68 99.73 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 121.477 -0.089 . . . . 4.56 110.994 178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.1 77.05 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.963 0.905 . . . . 0.46 110.305 178.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 123.35 45.69 0.29 Allowed Glycine 0 CA--C 1.523 0.572 0 C-N-CA 124.171 0.891 . . . . 0.52 111.665 166.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -127.66 133.82 49.63 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 108.367 -0.975 . . . . 1.89 108.367 172.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.2 p -82.54 123.5 29.25 Favored 'General case' 0 N--CA 1.446 -0.667 0 N-CA-C 105.976 -1.861 . . . . 1.86 105.976 172.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.49 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.3 pp -125.98 176.87 6.69 Favored 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 123.879 0.737 . . . . 0.75 109.445 169.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.6 mtp-105 -128.31 140.94 51.6 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.614 -2.365 . . . . 5.01 104.614 156.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.27 141.48 58.6 Favored 'General case' 0 N--CA 1.438 -1.065 0 N-CA-C 106.567 -1.642 . . . . 3.01 106.567 171.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.459 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.3 mm-40 -105.97 177.62 4.8 Favored 'General case' 0 N--CA 1.437 -1.079 0 CA-C-N 113.41 -1.723 . . . . 2.96 111.402 172.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -59.49 166.16 2.51 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.511 -1.222 . . . . 3.4 111.77 172.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.6 -61.47 1.88 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.953 0.882 . . . . 1.68 109.881 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.22 171.39 19.9 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 106.503 -1.665 . . . . 2.29 106.503 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.105 0 C-N-CA 125.882 1.673 . . . . 7.58 111.296 -178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.464 0.23 0 N-CA-C 106.231 -1.766 . . . . 5.52 106.231 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.44 -172.11 31.05 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.617 -0.593 . . . . 1.68 111.617 178.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.9 m -98.96 144.79 27.73 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 107.397 -1.334 . . . . 0.85 107.397 177.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -99.21 123.9 43.85 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.841 -1.072 . . . . 3.48 108.691 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.678 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 17.0 m-85 -108.83 133.35 52.99 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.62 1.568 . . . . 1.8 111.785 174.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.408 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 43.5 t -106.39 153.13 22.68 Favored 'General case' 0 C--N 1.345 0.405 0 C-N-CA 123.548 0.739 . . . . 2.02 110.105 172.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.882 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -139.03 159.09 42.97 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.888 1.275 . . . . 1.04 109.239 164.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.477 ' HD2' ' CG ' ' A' ' 70' ' ' GLU . 3.0 mppt? -105.91 123.97 48.83 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 105.441 -2.059 . . . . 1.86 105.441 168.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.1 t -105.03 166.83 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 124.419 1.087 . . . . 1.07 109.803 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -136.39 117.99 14.92 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.158 1.383 . . . . 1.07 107.701 164.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 132.42 -30.04 3.21 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 126.23 1.871 . . . . 0.98 111.639 176.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.501 ' SD ' HG21 ' A' ' 22' ' ' VAL . 33.3 ttp -77.06 75.73 3.62 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 121.646 -0.914 . . . . 2.2 110.933 -173.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.62 59.96 1.33 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.951 0.882 . . . . 3.53 111.119 167.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -157.83 145.09 18.24 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.288 -0.634 . . . . 2.4 109.288 170.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.61 64.75 0.64 Allowed 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 122.477 1.132 . . . . 2.86 113.509 -171.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.0 -48.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 126.661 1.985 . . . . 1.17 108.191 -171.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.2 m -68.91 -36.08 77.6 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.377 -0.971 . . . . 1.8 108.377 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -53.41 -50.51 65.01 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-O 119.495 -0.288 . . . . 0.52 110.886 175.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 0.9 OUTLIER -58.87 -50.76 72.78 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.631 -0.828 . . . . 3.47 110.329 176.322 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -49.0 -46.16 43.47 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.645 -0.659 . . . . 3.13 111.832 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.501 HG21 ' SD ' ' A' ' 13' ' ' MET . 36.3 t -58.59 -59.01 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 123.407 0.683 . . . . 0.46 111.089 176.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.49 ' O ' HG22 ' A' ' 26' ' ' VAL . 16.4 pt-20 -62.8 -45.54 92.17 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 107.915 -1.142 . . . . 2.12 107.915 -170.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -59.9 -41.35 91.46 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 121.568 -0.708 . . . . 0.49 109.729 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.36 -19.33 22.23 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 113.09 0.774 . . . . 0.38 113.09 174.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.66 HG12 HG13 ' A' ' 56' ' ' VAL . 8.2 m -100.9 -38.97 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 119.396 0.998 . . . . 1.85 112.738 172.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.8 mtp85 -59.71 -31.46 69.62 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 121.569 -0.707 . . . . 3.49 109.202 178.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -64.87 -14.92 61.11 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.468 0.914 . . . . 1.19 113.468 178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mt -68.49 -112.57 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 118.653 0.66 . . . . 0.54 109.795 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.99 -49.92 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 123.917 0.887 . . . . 0.38 108.621 -178.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.0 -9.04 87.49 Favored Glycine 0 CA--C 1.532 1.11 0 CA-C-N 115.297 -0.865 . . . . 0.49 113.31 -173.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.1 t -72.94 129.77 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 124.046 0.938 . . . . 0.71 109.422 177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -98.9 -63.71 1.1 Allowed 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.678 -0.86 . . . . 2.12 108.678 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -137.65 104.46 5.33 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.976 0.911 . . . . 1.4 108.55 -161.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.3 p -93.12 137.36 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.858 0.863 . . . . 1.46 110.395 -176.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -123.07 90.38 3.28 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 125.326 1.45 . . . . 1.74 109.725 176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -89.3 117.65 33.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 N-CA-C 105.453 -2.054 . . . . 1.67 105.453 166.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.0 tp -120.23 113.84 21.01 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 106.913 -1.514 . . . . 0.52 106.913 174.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 32.7 m-85 -61.14 167.04 3.25 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.624 0.77 . . . . 2.66 111.373 172.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.98 -47.02 0.57 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 127.67 2.388 . . . . 1.17 112.703 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m -69.15 -26.07 64.69 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.562 0.745 . . . . 1.08 108.991 170.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 55.52 35.02 24.28 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.177 1.391 . . . . 4.34 110.278 176.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.09 138.57 51.53 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 107.564 -1.273 . . . . 2.94 107.564 -176.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -100.64 139.02 36.92 Favored 'General case' 0 N--CA 1.443 -0.788 0 N-CA-C 107.115 -1.439 . . . . 1.34 107.115 177.613 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -124.79 147.51 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 O-C-N 123.711 0.632 . . . . 0.62 110.094 159.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 56.0 t -137.38 121.43 22.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 C-N-CA 125.439 1.496 . . . . 0.42 107.537 177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -95.68 123.97 39.49 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 106.702 -1.592 . . . . 4.03 106.702 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.65 135.29 18.5 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 123.105 0.562 . . . . 0.51 110.419 -173.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.68 57.91 4.62 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 109.24 -0.652 . . . . 2.11 109.24 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 169.91 161.7 0.06 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.763 2.025 . . . . 1.68 109.232 174.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -82.4 112.6 19.5 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.299 0.639 . . . . 3.99 110.154 175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.423 HD13 HG23 ' A' ' 56' ' ' VAL . 1.4 pp -134.22 18.56 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 124.24 1.016 . . . . 0.63 111.354 177.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -61.47 -47.63 84.81 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 120.726 -1.234 . . . . 3.61 110.982 -169.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.43 -31.18 67.5 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 123.929 0.768 . . . . 0.28 110.356 174.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -76.05 -44.97 36.64 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.506 -0.553 . . . . 2.97 109.506 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.882 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 33.0 t -63.36 -49.63 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 108.506 -0.924 . . . . 0.37 108.506 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HA ' HD21 ' A' ' 67' ' ' LEU . 43.1 tt0 -49.92 -59.92 3.41 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 117.88 -1.057 . . . . 2.42 110.625 174.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 24.5 t -47.76 -45.79 29.45 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 119.437 1.017 . . . . 0.53 110.518 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.19 -50.8 70.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.559 0.743 . . . . 0.36 112.628 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.492 HD12 HG12 ' A' ' 56' ' ' VAL . 15.9 mt -68.1 -42.32 80.5 Favored 'General case' 0 C--O 1.234 0.249 0 C-N-CA 124.425 1.09 . . . . 0.97 110.516 -177.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -53.98 45.49 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.598 -0.728 . . . . 2.59 109.603 173.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -65.27 -36.14 83.18 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.622 -0.831 . . . . 4.99 111.663 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.64 -33.03 72.18 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 122.032 -0.418 . . . . 0.55 110.655 177.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.62 44.17 0.56 Allowed Glycine 0 CA--C 1.523 0.549 0 C-N-CA 124.284 0.945 . . . . 0.69 111.61 167.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -131.77 130.2 41.55 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 108.775 -0.824 . . . . 2.07 108.775 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.2 m -86.24 110.35 19.56 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.296 -1.372 . . . . 1.97 107.296 174.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.623 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.8 pp -97.95 177.87 5.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 123.696 0.623 . . . . 0.94 111.031 170.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -130.01 139.63 51.0 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 105.924 -1.88 . . . . 3.47 105.924 159.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -74.66 112.32 10.74 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.903 -1.147 . . . . 3.12 107.903 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.477 ' CG ' ' HD2' ' A' ' 9' ' ' LYS . 3.5 mm-40 -77.71 -178.77 5.53 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 119.816 -0.753 . . . . 2.41 110.694 176.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -66.32 161.55 22.16 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 123.863 0.865 . . . . 3.41 110.232 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.81 67.16 5.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.841 -0.537 . . . . 2.93 109.688 173.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 67.51 58.31 0.53 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 125.346 1.459 . . . . 2.45 112.147 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 C--O 1.251 1.168 0 N-CA-C 103.206 -2.887 . . . . 7.31 103.206 152.701 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 CA--C 1.529 0.158 0 N-CA-C 108.309 -0.997 . . . . 5.38 108.309 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -63.33 147.22 50.59 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.546 -1.022 . . . . 1.16 110.546 -177.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.02 150.98 52.01 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 107.669 -1.234 . . . . 1.09 107.669 168.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -98.59 138.31 35.96 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-N 113.703 -1.589 . . . . 5.3 108.759 175.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.656 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.1 m-85 -118.63 135.17 54.6 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.731 2.012 . . . . 2.07 110.678 172.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.441 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 17.2 t -110.21 153.0 25.4 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.174 0.99 . . . . 2.06 109.813 174.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.882 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 5.7 m-90 -138.25 156.54 47.57 Favored 'General case' 0 N--CA 1.462 0.154 0 C-N-CA 124.418 1.087 . . . . 1.04 109.109 168.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.1 mtpt -111.73 109.53 19.43 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 106.271 -1.751 . . . . 1.9 106.271 175.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.505 HG12 ' H ' ' A' ' 11' ' ' SER . 1.7 t -100.91 178.37 0.68 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 124.102 0.961 . . . . 1.46 110.268 -175.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.505 ' H ' HG12 ' A' ' 10' ' ' VAL . 13.2 m -153.43 106.93 2.99 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.016 1.326 . . . . 1.4 108.536 173.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.14 -34.65 1.82 Allowed Glycine 0 CA--C 1.529 0.924 0 C-N-CA 125.081 1.324 . . . . 0.98 112.34 169.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.9 ptt? -73.78 99.49 3.19 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 121.977 -0.719 . . . . 2.1 110.668 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -151.87 77.37 1.22 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.257 0.623 . . . . 3.27 110.07 170.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 m -155.55 -93.67 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.042 0.937 . . . . 2.39 110.385 177.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.11 -56.95 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 125.083 1.353 . . . . 2.23 108.738 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.31 -34.78 58.81 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.561 -0.745 . . . . 0.84 111.108 174.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.1 m -72.61 -43.56 63.14 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.258 -1.015 . . . . 1.66 108.258 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.652 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -56.13 -47.67 77.69 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 109.869 -0.419 . . . . 0.61 109.869 176.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.48 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 33.7 mtt-85 -63.57 -53.51 50.67 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 119.183 -1.007 . . . . 3.11 109.84 178.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -48.62 -40.58 28.1 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.2 -0.938 . . . . 4.25 111.948 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.443 HG11 HD21 ' A' ' 44' ' ' LEU . 47.8 t -61.5 -62.06 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 123.376 0.67 . . . . 0.7 110.553 171.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.48 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 11.8 pt-20 -59.38 -43.54 92.88 Favored 'General case' 0 C--O 1.216 -0.669 0 N-CA-C 107.83 -1.174 . . . . 1.85 107.83 -169.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -59.88 -41.22 91.07 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.802 1.241 . . . . 0.59 109.754 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -58.92 -22.47 59.76 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.046 0.758 . . . . 0.71 113.046 171.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.567 HG12 HG11 ' A' ' 32' ' ' VAL . 46.9 t -91.14 -39.38 11.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 124.889 1.276 . . . . 1.72 110.924 172.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -66.24 -34.77 78.76 Favored 'General case' 0 C--N 1.332 -0.184 0 O-C-N 119.704 -1.872 . . . . 2.56 109.676 -173.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -60.85 -14.78 24.17 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.563 1.32 . . . . 0.69 114.563 177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mt -62.86 -104.06 0.0 OUTLIER 'General case' 0 C--N 1.343 0.308 0 CA-C-N 119.65 1.114 . . . . 0.6 110.925 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 174.88 -52.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 124.631 1.172 . . . . 0.41 108.824 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -72.63 -18.49 78.65 Favored Glycine 0 CA--C 1.529 0.911 0 CA-C-N 115.172 -0.922 . . . . 0.38 112.813 -173.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.567 HG11 HG12 ' A' ' 26' ' ' VAL . 53.0 t -62.47 132.2 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 C-N-CA 124.675 1.19 . . . . 0.37 109.693 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -99.0 -62.75 1.19 Allowed 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.173 -1.047 . . . . 2.09 108.173 173.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -140.51 105.57 4.99 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.197 0.999 . . . . 1.38 108.553 -163.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -101.15 134.11 42.34 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 C-N-CA 123.977 0.911 . . . . 1.46 109.213 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -134.92 104.09 5.84 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 122.668 1.223 . . . . 1.68 109.078 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.443 HG12 ' CD2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -95.17 127.63 46.99 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 C-N-CA 127.828 2.451 . . . . 1.57 105.985 177.362 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.2 tp -125.88 123.04 37.76 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.161 -1.052 . . . . 0.46 108.161 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.652 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 29.8 m-85 -71.51 170.03 14.18 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.553 0.741 . . . . 2.17 112.526 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 69.72 -48.25 0.61 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 127.457 2.303 . . . . 1.35 112.635 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -67.94 -25.68 65.58 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.843 0.857 . . . . 1.03 109.458 169.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 55.1 33.7 20.98 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 125.616 1.566 . . . . 4.25 111.063 179.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.14 137.2 47.4 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 107.935 -1.135 . . . . 1.32 107.935 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.443 ' CD2' HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -101.42 142.28 33.04 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 107.088 -1.449 . . . . 1.12 107.088 177.061 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 24.0 t -132.23 139.77 49.36 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 118.75 0.704 . . . . 0.8 111.858 165.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.2 t -133.9 123.92 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 C-N-CA 125.202 1.401 . . . . 0.4 108.187 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -96.52 124.11 40.4 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 107.228 -1.397 . . . . 4.2 107.228 167.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -149.2 134.99 18.8 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.448 0.467 . . . . 0.57 111.065 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.9 56.94 3.26 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.427 0.691 . . . . 2.33 109.689 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 172.2 170.21 0.11 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.855 1.662 . . . . 1.71 109.193 175.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -80.86 110.77 16.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 126.58 1.952 . . . . 4.66 109.695 171.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.419 HD13 HG23 ' A' ' 56' ' ' VAL . 1.6 pp -138.84 19.31 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.261 0 O-C-N 121.687 -0.633 . . . . 0.59 111.229 174.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -64.71 -47.11 79.54 Favored 'General case' 0 CA--C 1.519 -0.245 0 O-C-N 120.701 -1.249 . . . . 2.57 110.924 -169.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.0 -31.03 69.54 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.781 -0.645 . . . . 0.34 109.823 173.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -44.38 71.56 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 109.118 -0.697 . . . . 2.68 109.118 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.882 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 44.9 t -66.55 -55.54 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 107.769 -1.197 . . . . 0.36 107.769 -179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -43.75 -58.57 2.64 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-O 117.43 -1.272 . . . . 2.41 109.79 175.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.5 t -45.26 -41.9 9.02 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.728 1.149 . . . . 0.62 111.358 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.436 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -68.29 -45.63 72.55 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 123.194 0.598 . . . . 0.29 110.791 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mp -68.4 -39.76 81.56 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.634 -0.666 . . . . 1.86 111.615 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -57.98 -54.52 46.06 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 107.358 -1.349 . . . . 3.07 107.358 178.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -32.57 70.94 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 111.849 0.314 . . . . 4.55 111.849 -179.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.55 83.55 Favored 'General case' 0 C--N 1.34 0.186 0 O-C-N 121.671 -0.643 . . . . 0.79 111.161 173.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 115.75 47.03 0.54 Allowed Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.744 1.164 . . . . 0.56 111.836 173.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -131.03 122.64 27.13 Favored 'General case' 0 N--CA 1.458 -0.052 0 N-CA-C 108.28 -1.008 . . . . 1.9 108.28 173.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -83.74 121.8 27.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.238 -1.023 . . . . 1.71 108.238 179.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.0 pp -123.77 177.06 5.9 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.767 0.827 . . . . 0.83 111.56 173.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -129.21 122.09 28.99 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 105.497 -2.038 . . . . 4.07 105.497 169.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -61.39 124.17 19.85 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.555 -1.276 . . . . 4.11 107.555 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -177.52 3.54 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 122.981 1.372 . . . . 2.77 109.483 -176.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 -66.53 161.21 23.5 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 113.723 -1.58 . . . . 3.3 109.827 177.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.27 67.34 2.51 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.57 -0.741 . . . . 2.66 109.331 172.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 72.81 -179.98 0.22 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.067 1.747 . . . . 2.33 111.893 -175.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.261 1.709 0 N-CA-C 100.823 -3.769 . . . . 5.6 100.823 153.194 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 104.368 -2.456 . . . . 4.86 104.368 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.02 142.23 18.18 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 108.496 -1.842 . . . . 1.24 108.496 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.21 149.31 41.31 Favored 'General case' 0 CA--C 1.515 -0.38 0 N-CA-C 107.596 -1.261 . . . . 1.13 107.596 175.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -99.76 144.57 28.68 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 107.781 -1.192 . . . . 3.29 107.781 171.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.606 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 15.1 m-85 -130.88 132.89 45.43 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 126.192 1.797 . . . . 1.75 109.749 170.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.438 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 94.1 p -108.99 154.64 21.89 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 118.822 0.737 . . . . 1.87 110.892 173.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.776 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -141.11 159.9 41.24 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 123.603 0.761 . . . . 1.06 109.841 169.377 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -111.51 96.2 5.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.846 1.659 . . . . 2.16 107.754 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.2 t -110.48 142.45 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 C-N-CA 124.483 1.113 . . . . 1.43 109.763 -173.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.2 t -135.63 70.12 1.43 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.068 0.947 . . . . 1.23 108.839 -162.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.57 -38.96 0.03 OUTLIER Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.952 -0.642 . . . . 0.67 112.007 -175.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.56 111.98 4.46 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 118.655 -1.218 . . . . 2.36 110.959 175.25 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -145.37 72.86 1.33 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.132 0.973 . . . . 3.46 111.547 172.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.9 t -165.72 -63.03 0.03 OUTLIER 'General case' 0 C--N 1.342 0.257 0 O-C-N 121.8 -0.562 . . . . 2.89 111.624 169.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 150.08 -53.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 127.972 2.509 . . . . 2.41 108.992 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.04 -38.73 65.5 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 121.276 0.56 . . . . 1.36 110.889 176.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.1 p -67.16 -33.6 75.76 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.284 1.033 . . . . 3.06 109.763 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.19 -38.16 90.07 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.36 -0.608 . . . . 0.77 109.36 178.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 92.3 mtt180 -62.22 -46.82 87.18 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 119.716 -0.794 . . . . 2.54 110.147 176.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -49.71 -41.43 43.42 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.132 -0.98 . . . . 3.74 111.788 178.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.558 HG13 HD21 ' A' ' 60' ' ' LEU . 91.1 t -57.6 -60.49 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 123.939 0.896 . . . . 0.63 109.694 174.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 15.0 pt-20 -60.88 -45.93 92.62 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.956 -1.127 . . . . 1.99 107.956 -172.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -58.16 -40.61 81.86 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.25 1.02 . . . . 0.59 109.434 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.18 -21.96 62.35 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.012 0.745 . . . . 0.48 113.012 173.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.556 HG22 HG13 ' A' ' 56' ' ' VAL . 40.2 t -92.47 -41.47 12.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 C-N-CA 124.677 1.191 . . . . 1.75 110.662 173.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -62.13 -34.88 77.19 Favored 'General case' 0 C--N 1.332 -0.156 0 O-C-N 120.321 -1.487 . . . . 2.61 110.056 -174.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -58.81 -13.94 7.49 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 114.753 1.39 . . . . 0.51 114.753 176.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.9 mt -68.41 -112.31 0.0 OUTLIER 'General case' 0 C--N 1.343 0.317 0 CA-C-N 119.987 1.267 . . . . 0.92 111.243 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.67 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 123.743 0.817 . . . . 0.36 109.462 -173.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.27 -12.43 84.59 Favored Glycine 0 CA--C 1.532 1.105 0 CA-C-N 115.705 -0.68 . . . . 0.46 113.034 -174.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.51 HG21 HG12 ' A' ' 26' ' ' VAL . 52.8 t -64.05 139.09 21.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 C-N-CA 124.511 1.124 . . . . 0.44 108.929 173.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -108.93 -45.23 3.83 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 108.581 -0.896 . . . . 2.37 108.581 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -161.19 154.58 21.62 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.467 -1.309 . . . . 1.28 107.467 -172.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.1 m -144.62 157.14 14.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 124.627 1.171 . . . . 2.13 110.536 -174.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -134.85 101.63 4.97 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 125.075 1.35 . . . . 4.13 110.867 170.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 m -95.54 76.36 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 127.909 2.484 . . . . 1.92 109.823 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.3 tp -93.66 90.58 6.67 Favored 'General case' 0 N--CA 1.438 -1.067 0 N-CA-C 105.479 -2.045 . . . . 1.29 105.479 -174.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -61.44 166.37 4.06 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 113.664 -1.607 . . . . 2.92 109.693 172.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 72.59 -49.76 0.7 Allowed 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 125.132 1.373 . . . . 2.6 111.421 -177.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 m -70.0 -3.52 16.65 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.825 0.85 . . . . 2.01 111.521 170.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 64.9 29.08 12.58 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.044 0.937 . . . . 6.18 110.795 171.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.56 121.57 17.8 Favored 'General case' 0 C--N 1.346 0.427 0 O-C-N 121.24 -0.912 . . . . 1.67 112.425 -169.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.06 141.27 32.03 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 106.999 -1.482 . . . . 2.06 106.999 171.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -127.52 145.99 34.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 123.544 0.528 . . . . 0.71 111.368 156.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.3 t -132.52 129.17 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 C-N-CA 125.794 1.638 . . . . 0.51 107.806 175.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -111.88 119.37 38.32 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.773 1.629 . . . . 2.23 108.764 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.68 144.13 24.15 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.029 1.332 . . . . 0.69 111.927 -163.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.95 56.74 1.73 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.039 0.936 . . . . 2.55 109.546 177.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 171.67 172.3 0.09 Allowed 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.62 1.968 . . . . 1.69 107.45 173.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -86.12 123.68 31.69 Favored 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 118.948 0.794 . . . . 3.2 109.03 165.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -133.93 23.22 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 C-N-CA 124.343 1.057 . . . . 0.73 110.057 166.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.425 HH22 ' CB ' ' A' ' 69' ' ' ASP . 6.0 mtp-105 -65.49 -50.13 66.47 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 120.108 -1.62 . . . . 3.1 111.662 -168.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.14 -24.29 62.89 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.437 -0.801 . . . . 0.34 109.531 173.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.78 -48.22 33.25 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 108.215 -1.031 . . . . 2.65 108.215 -179.192 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.776 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 43.1 t -64.11 -47.68 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 115.359 -0.837 . . . . 0.39 108.863 -179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.519 ' HA ' HD21 ' A' ' 67' ' ' LEU . 11.4 tm-20 -48.72 -61.33 2.09 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 117.508 -1.234 . . . . 2.93 111.474 171.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 19.5 t -50.48 -44.67 55.86 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.742 1.156 . . . . 0.58 110.232 -176.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.75 72.65 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 112.719 0.637 . . . . 0.35 112.719 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.558 HD21 HG13 ' A' ' 22' ' ' VAL . 35.1 mt -66.03 -44.95 83.18 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.559 0.744 . . . . 1.05 109.995 -176.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -52.45 -52.15 55.58 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.34 -0.845 . . . . 3.53 109.347 173.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -62.39 -40.21 95.73 Favored 'General case' 0 CA--C 1.533 0.3 0 O-C-N 122.139 -0.35 . . . . 4.97 111.524 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -56.86 -39.17 73.82 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 123.484 0.714 . . . . 0.56 110.333 -178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.62 54.93 0.22 Allowed Glycine 0 C--N 1.334 0.435 0 N-CA-C 110.254 -1.139 . . . . 0.56 110.254 169.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -132.44 175.36 9.36 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 106.92 -1.511 . . . . 1.83 106.92 171.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.3 p -121.55 121.12 36.73 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 104.285 -2.487 . . . . 1.91 104.285 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.599 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.4 pp -113.72 176.4 5.05 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.834 0.349 . . . . 0.94 110.858 170.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -132.39 128.99 38.76 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 105.404 -2.073 . . . . 3.58 105.404 165.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.425 ' CB ' HH22 ' A' ' 53' ' ' ARG . 0.9 OUTLIER -59.78 104.92 0.32 Allowed 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.95 1.3 . . . . 3.37 109.004 176.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -84.45 168.2 15.72 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 121.598 0.713 . . . . 3.0 111.669 171.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.3 pm0 -51.41 167.47 0.09 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.832 1.653 . . . . 3.84 112.049 167.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.46 -64.57 0.85 Allowed 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.607 0.718 . . . . 1.69 110.059 177.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.58 -179.49 8.21 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 106.907 -1.516 . . . . 2.37 106.907 177.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 . . . . . 0 C--O 1.256 1.436 0 N-CA-C 104.05 -2.574 . . . . 5.14 104.05 153.028 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 CA--C 1.529 0.16 0 N-CA-C 108.049 -1.093 . . . . 4.47 108.049 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -76.19 168.79 54.84 Favored Glycine 0 C--O 1.242 0.602 0 N-CA-C 112.005 -0.438 . . . . 1.53 112.005 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 18.1 m -125.51 144.26 50.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.057 1.343 . . . . 1.28 111.425 -178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -98.41 138.16 36.05 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 112.786 -2.006 . . . . 5.68 108.102 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.642 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 21.8 m-85 -117.75 132.3 56.48 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 128.129 2.571 . . . . 1.98 110.487 166.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.2 t -113.52 150.37 33.03 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.101 1.36 . . . . 1.87 109.358 176.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.743 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.4 OUTLIER -141.43 155.89 45.83 Favored 'General case' 0 C--N 1.343 0.313 0 C-N-CA 123.996 0.919 . . . . 1.14 111.447 169.178 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -111.18 101.1 9.64 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 125.914 1.685 . . . . 2.24 106.993 -177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.0 t -106.28 167.24 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 CA-C-N 119.545 1.066 . . . . 1.29 110.619 -174.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -139.66 102.72 4.51 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 107.814 -1.18 . . . . 1.05 107.814 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 148.93 -21.75 1.27 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 122.986 0.327 . . . . 0.92 113.215 172.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.55 ' SD ' HG21 ' A' ' 22' ' ' VAL . 8.2 mtm -64.81 108.89 1.88 Allowed 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.936 -0.743 . . . . 3.45 112.328 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.1 p-10 -142.16 -9.77 0.87 Allowed 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.447 1.277 . . . . 4.85 114.447 172.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.5 m -122.77 141.65 51.59 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 119.663 1.12 . . . . 2.94 112.178 -161.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -45.26 -51.72 10.48 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 113.308 0.855 . . . . 2.11 113.308 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.42 -37.35 75.18 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.384 0.674 . . . . 1.2 111.721 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.1 m -70.42 -40.63 73.72 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 108.628 -0.878 . . . . 1.73 108.628 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.747 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -55.66 -48.78 74.44 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.874 -0.417 . . . . 0.86 109.874 175.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 6.1 mtt85 -63.3 -52.27 62.64 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 118.599 -1.24 . . . . 3.6 110.874 176.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -48.63 -41.56 31.51 Favored 'General case' 0 C--O 1.223 -0.312 0 O-C-N 121.197 -0.939 . . . . 5.14 111.649 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.55 HG21 ' SD ' ' A' ' 13' ' ' MET . 42.5 t -62.09 -59.48 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.339 1.056 . . . . 0.67 112.33 175.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.474 ' O ' HG22 ' A' ' 26' ' ' VAL . 12.3 pt-20 -60.6 -44.78 95.88 Favored 'General case' 0 C--O 1.221 -0.408 0 N-CA-C 106.835 -1.542 . . . . 1.88 106.835 -173.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -66.87 -32.09 73.13 Favored 'General case' 0 N--CA 1.447 -0.592 0 O-C-N 121.075 -1.016 . . . . 0.72 111.065 -177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.76 -26.25 44.9 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-O 118.613 -0.708 . . . . 0.39 111.655 169.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.518 HG12 HG13 ' A' ' 56' ' ' VAL . 2.7 m -98.06 -43.98 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 118.931 0.787 . . . . 2.01 112.507 175.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -61.37 -25.7 67.34 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 121.47 -0.769 . . . . 2.53 110.894 -175.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -67.72 -13.85 62.46 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 112.787 0.662 . . . . 0.52 112.787 178.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.6 -112.41 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.883 0.873 . . . . 0.64 109.081 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.22 -48.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 124.966 1.306 . . . . 0.33 108.514 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.51 -19.44 79.86 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 115.491 -0.777 . . . . 0.4 113.249 -173.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.9 t -63.79 131.35 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.457 0.703 . . . . 0.55 109.648 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -99.38 -51.03 3.91 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.383 -1.34 . . . . 2.07 107.383 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -147.21 155.25 41.93 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 107.197 -1.409 . . . . 1.44 107.197 -171.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.9 p -141.64 141.1 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 124.759 1.224 . . . . 1.44 109.285 -171.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.409 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 43.0 mt-30 -124.19 91.86 3.54 Favored 'General case' 0 N--CA 1.444 -0.759 0 C-N-CA 125.077 1.351 . . . . 1.83 108.932 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.4 101.33 12.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 C-N-CA 124.824 1.25 . . . . 2.09 107.875 172.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.9 tp -104.16 108.46 19.84 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 108.682 -0.858 . . . . 0.68 108.682 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 19.0 m-85 -63.09 168.27 4.26 Favored 'General case' 0 N--CA 1.457 -0.078 0 CA-C-O 121.361 0.601 . . . . 2.33 111.243 168.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.85 -47.67 0.65 Allowed 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 126.33 1.852 . . . . 1.13 111.803 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.36 4.14 21.81 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.247 1.019 . . . . 0.94 112.276 172.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 35.67 33.64 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 128.177 2.591 . . . . 4.63 115.142 -178.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.67 130.03 56.1 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.903 -0.777 . . . . 1.34 108.903 -171.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -98.49 139.2 34.58 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 106.175 -1.787 . . . . 1.13 106.175 179.563 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 18.9 t -126.29 144.08 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 O-C-N 123.669 0.605 . . . . 0.69 109.845 160.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 67.0 t -132.9 125.03 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 N-CA-C 106.133 -1.803 . . . . 0.37 106.133 176.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -110.78 99.43 8.36 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 106.554 -1.647 . . . . 2.74 106.554 -177.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.02 143.07 49.8 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.028 1.331 . . . . 0.52 110.024 -168.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.71 58.91 0.85 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 109.595 -0.52 . . . . 2.02 109.595 -174.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -172.15 -32.31 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.704 1.372 . . . . 2.75 114.704 176.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.5 t0 78.64 127.05 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 127.628 2.371 . . . . 3.12 110.111 -166.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.421 HD13 HG23 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -149.19 32.06 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.622 0 C-N-CA 125.666 1.586 . . . . 0.5 108.12 178.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 42.7 mtm-85 -60.49 -49.12 78.81 Favored 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 121.194 -0.941 . . . . 2.75 111.949 -166.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.05 -31.78 63.47 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 123.896 0.748 . . . . 0.36 110.702 174.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -77.57 -45.0 26.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 121.445 -0.784 . . . . 2.64 109.53 -173.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.743 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 24.6 t -65.33 -46.75 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 N-CA-C 109.159 -0.682 . . . . 0.63 109.159 175.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.573 ' HA ' HD21 ' A' ' 67' ' ' LEU . 2.0 tm-20 -50.55 -55.05 17.92 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 118.184 -0.912 . . . . 3.24 110.354 175.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.1 t -49.86 -48.14 51.42 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.579 0.627 . . . . 0.57 110.392 178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.23 -49.17 78.88 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.471 0.545 . . . . 0.29 112.471 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.448 HD12 HG12 ' A' ' 56' ' ' VAL . 19.5 mt -65.03 -42.51 94.29 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 121.593 -0.692 . . . . 1.03 110.121 -177.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -52.25 66.1 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 108.99 -0.744 . . . . 2.16 108.99 175.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -56.19 -41.99 76.4 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 120.667 0.27 . . . . 3.84 111.077 176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.53 -17.52 62.88 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 125.117 1.367 . . . . 0.94 112.941 179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.79 46.79 1.01 Allowed Glycine 0 C--N 1.339 0.715 0 C-N-CA 125.056 1.313 . . . . 0.51 112.342 166.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -134.05 155.91 49.17 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.021 0.91 . . . . 1.95 110.137 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.1 m -104.05 118.81 37.56 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 106.574 -1.639 . . . . 1.63 106.574 168.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.573 HD21 ' HA ' ' A' ' 57' ' ' GLU . 3.9 pp -113.83 174.23 6.03 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.246 1.018 . . . . 0.88 109.367 171.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -133.65 137.47 45.39 Favored 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 105.282 -2.118 . . . . 3.36 105.282 166.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -68.84 120.69 15.16 Favored 'General case' 0 N--CA 1.434 -1.226 0 N-CA-C 107.908 -1.145 . . . . 3.26 107.908 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.01 178.67 5.68 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.015 -1.448 . . . . 2.81 109.649 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -56.47 162.56 2.11 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 121.613 0.72 . . . . 3.75 110.423 164.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.51 -63.44 1.13 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.39 -0.967 . . . . 1.73 108.39 168.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.56 -51.92 0.11 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 124.635 1.174 . . . . 2.23 109.405 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 C--O 1.26 1.65 0 N-CA-C 102.323 -3.214 . . . . 7.65 102.323 167.603 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 107.554 -1.276 . . . . 5.11 107.554 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.44 129.83 3.79 Favored Glycine 0 C--N 1.333 0.389 0 N-CA-C 109.441 -1.464 . . . . 1.62 109.441 -175.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.8 m -141.26 145.2 35.24 Favored 'General case' 0 CA--C 1.512 -0.501 0 O-C-N 121.19 -1.182 . . . . 0.95 108.971 173.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.436 ' HG3' HG13 ' A' ' 45' ' ' VAL . 13.8 ttm180 -96.64 113.62 25.2 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 125.041 1.463 . . . . 3.56 107.916 -174.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.707 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 18.2 m-85 -100.23 124.04 45.18 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 118.594 -0.717 . . . . 1.86 112.544 171.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.401 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 0.8 OUTLIER -99.43 145.52 27.32 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 124.227 0.955 . . . . 1.9 109.392 177.363 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.894 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.2 m-90 -131.25 157.33 43.55 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 118.656 0.662 . . . . 1.11 110.213 163.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.1 ptmt -103.49 101.03 10.9 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.273 -1.751 . . . . 3.35 106.273 171.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG12 ' HB3' ' A' ' 65' ' ' TYR . 0.2 OUTLIER -96.02 -179.64 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 119.335 0.97 . . . . 1.3 109.072 -174.321 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.4 p -157.2 118.84 3.73 Favored 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 121.94 -0.475 . . . . 2.91 110.303 173.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 128.89 -22.91 5.08 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 125.344 1.449 . . . . 0.72 112.05 168.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.37 87.37 7.21 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 117.491 0.645 . . . . 1.88 109.479 -177.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -140.66 80.58 1.76 Allowed 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 120.9 0.381 . . . . 2.94 110.033 168.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.97 -88.34 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.577 0.751 . . . . 2.34 109.95 174.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -172.96 -60.2 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.43 1.092 . . . . 2.1 109.556 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.85 -32.78 61.02 Favored 'General case' 0 CA--C 1.534 0.339 0 O-C-N 121.917 -0.489 . . . . 0.86 111.252 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.7 m -74.38 -33.82 63.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.317 -0.623 . . . . 1.87 109.317 -179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.749 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -59.34 -45.74 90.54 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 108.685 -0.857 . . . . 0.56 108.685 173.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -59.95 -52.05 67.08 Favored 'General case' 0 N--CA 1.438 -1.07 0 C-N-CA 118.884 -1.127 . . . . 2.57 111.106 173.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.15 -42.95 61.12 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 119.444 -0.902 . . . . 2.96 111.392 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.794 ' CG1' HD21 ' A' ' 44' ' ' LEU . 37.4 t -56.04 -62.85 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.31 0.644 . . . . 0.58 111.789 173.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.521 ' O ' HG22 ' A' ' 26' ' ' VAL . 23.5 pt-20 -59.3 -44.45 92.51 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 107.567 -1.271 . . . . 1.97 107.567 -170.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -64.88 -34.25 77.94 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 123.941 0.896 . . . . 0.48 110.682 -178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.33 -21.71 50.55 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.264 -0.874 . . . . 0.37 112.041 171.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.566 HG12 HG13 ' A' ' 56' ' ' VAL . 5.0 m -102.48 -39.97 6.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-N 119.297 0.953 . . . . 1.93 112.932 176.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 65.8 mtm180 -60.35 -25.35 65.78 Favored 'General case' 0 C--N 1.331 -0.238 0 O-C-N 121.365 -0.834 . . . . 2.66 110.926 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -69.82 -12.98 62.04 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 113.243 0.831 . . . . 0.5 113.243 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.02 -119.08 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.538 1.135 . . . . 0.71 108.778 179.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.51 -46.32 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.177 0 O-C-N 121.244 -0.91 . . . . 0.32 108.879 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.42 -20.44 71.93 Favored Glycine 0 CA--C 1.532 1.115 0 CA-C-N 115.758 -0.656 . . . . 0.45 112.846 -175.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.91 139.14 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.644 0.778 . . . . 0.49 109.156 173.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -130.5 -47.86 1.07 Allowed 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.84 -0.6 . . . . 2.8 112.005 177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -127.87 104.81 8.03 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 119.03 0.832 . . . . 1.42 109.444 -173.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.45 138.22 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 O-C-N 121.408 -0.807 . . . . 1.54 110.931 -176.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -122.46 93.87 4.11 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 127.824 2.449 . . . . 1.87 107.243 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 19.3 m -91.86 110.87 23.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 106.558 -1.645 . . . . 1.72 106.558 169.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.1 tp -120.16 112.57 19.25 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 108.467 -0.938 . . . . 0.64 108.467 176.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.749 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 24.6 m-85 -63.2 165.7 7.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.757 0.823 . . . . 2.31 111.388 168.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.17 -50.33 0.7 Allowed 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.961 2.104 . . . . 1.28 111.832 174.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m -64.63 -22.7 67.04 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 108.889 -0.782 . . . . 1.35 108.889 161.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 58.63 41.11 22.67 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.122 1.369 . . . . 4.6 108.779 174.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.23 135.82 51.16 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-O 121.571 0.7 . . . . 2.98 112.332 -167.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.794 HD21 ' CG1' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -101.56 119.56 38.95 Favored 'General case' 0 CA--C 1.5 -0.964 0 C-N-CA 126.984 2.113 . . . . 1.52 106.145 -176.146 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.436 HG13 ' HG3' ' A' ' 5' ' ' ARG . 18.9 t -122.1 102.39 11.73 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.562 0 O-C-N 124.055 0.847 . . . . 0.94 110.182 173.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.4 t -104.38 113.6 41.77 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 N-CA-C 108.408 -0.96 . . . . 0.51 108.408 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -97.16 113.54 25.13 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 105.804 -1.925 . . . . 2.49 105.804 177.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -138.0 142.53 40.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.453 1.101 . . . . 0.5 110.01 -168.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.48 58.83 2.84 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.534 -0.543 . . . . 1.97 109.534 179.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 166.49 158.76 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 128.07 2.548 . . . . 1.75 107.528 176.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -76.32 126.17 30.5 Favored 'General case' 0 C--O 1.231 0.087 0 N-CA-C 108.347 -0.983 . . . . 3.14 108.347 169.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.416 HD13 HG23 ' A' ' 56' ' ' VAL . 1.4 pp -139.54 21.98 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 123.276 0.631 . . . . 0.62 109.965 173.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -63.62 -48.43 77.35 Favored 'General case' 0 CA--C 1.514 -0.405 0 O-C-N 120.767 -1.208 . . . . 3.06 111.933 -165.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.87 -34.18 62.7 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 123.749 0.656 . . . . 0.29 110.008 172.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -75.66 -39.52 57.5 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 109.36 -0.607 . . . . 2.75 109.36 -173.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.894 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 47.1 t -66.51 -54.62 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.075 0 N-CA-C 107.719 -1.215 . . . . 0.46 107.719 174.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -42.9 -56.55 3.22 Favored 'General case' 0 CA--C 1.521 -0.171 0 C-N-CA 123.605 0.762 . . . . 2.44 111.761 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.0 t -47.45 -43.6 24.22 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.072 0.463 . . . . 0.53 111.099 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.05 -48.93 72.05 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 122.849 0.46 . . . . 0.39 110.129 -179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -68.17 -39.67 82.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.913 0.485 . . . . 1.97 111.425 -175.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -50.13 68.56 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.423 -0.954 . . . . 2.35 108.423 173.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -67.57 -36.93 81.88 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.173 0.434 . . . . 4.51 112.173 178.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.88 -37.41 82.08 Favored 'General case' 0 CA--C 1.528 0.102 0 C-N-CA 123.956 0.902 . . . . 0.61 110.134 177.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 124.22 41.45 0.4 Allowed Glycine 0 CA--C 1.523 0.536 0 C-N-CA 124.724 1.154 . . . . 0.76 111.781 168.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.495 ' HB3' HG12 ' A' ' 10' ' ' VAL . 9.2 m-85 -128.96 126.52 39.78 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 118.02 0.91 . . . . 2.2 109.558 177.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 m -83.65 117.75 23.39 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 107.713 -1.217 . . . . 1.47 107.713 177.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.41 ' HB3' HG13 ' A' ' 10' ' ' VAL . 4.0 pp -127.1 171.25 11.55 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 124.39 1.076 . . . . 0.79 109.862 173.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.2 mtp-105 -139.09 125.84 20.81 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 103.82 -2.659 . . . . 4.31 103.82 172.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -41.89 109.65 0.14 Allowed 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 125.56 1.544 . . . . 3.53 110.465 177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.6 OUTLIER -102.36 158.59 16.09 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.857 0.837 . . . . 3.4 109.576 -174.583 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -53.41 153.69 3.89 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 122.22 1.01 . . . . 4.05 112.659 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.48 52.93 1.22 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.904 0.882 . . . . 2.2 110.535 175.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 70.58 147.21 0.07 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 126.569 1.948 . . . . 2.24 110.027 -161.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 C--O 1.253 1.277 0 CA-C-O 117.381 -1.295 . . . . 6.87 108.504 167.197 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 107.182 -1.414 . . . . 6.35 107.182 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -38.36 130.4 1.68 Allowed Glycine 0 C--N 1.335 0.508 0 C-N-CA 126.049 1.785 . . . . 2.23 113.375 174.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.0 m -139.78 153.77 47.22 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 106.989 -1.486 . . . . 1.85 106.989 164.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -101.2 114.29 28.12 Favored 'General case' 0 N--CA 1.433 -1.282 0 CA-C-N 113.676 -1.602 . . . . 3.57 108.126 -175.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.77 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 9.9 m-85 -95.69 121.15 37.09 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 124.518 1.127 . . . . 2.18 110.58 176.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.3 m -98.5 152.45 19.53 Favored 'General case' 0 C--N 1.342 0.27 0 O-C-N 123.79 0.681 . . . . 1.82 110.002 174.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.828 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -144.19 169.03 18.66 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 123.14 0.576 . . . . 1.22 111.175 159.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.09 126.05 51.74 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 126.243 1.817 . . . . 2.03 106.177 170.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.745 HG21 HD23 ' A' ' 44' ' ' LEU . 4.9 t -119.51 88.48 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 119.235 0.925 . . . . 2.29 110.599 -169.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.7 t -82.1 81.56 7.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.326 -0.99 . . . . 0.98 108.326 -163.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.85 -23.44 0.91 Allowed Glycine 0 CA--C 1.528 0.852 0 CA-C-N 115.159 -0.928 . . . . 0.87 111.665 -177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 25.9 ttp -73.25 76.73 1.32 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.386 1.093 . . . . 2.1 111.384 -178.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -141.19 58.05 1.53 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.723 0.773 . . . . 3.04 111.422 171.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 m -146.0 141.32 27.58 Favored 'General case' 0 C--O 1.236 0.349 0 O-C-N 121.595 -0.691 . . . . 2.63 109.464 168.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.45 69.28 0.15 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.949 1.7 . . . . 2.88 111.303 177.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 171.95 -43.96 0.01 OUTLIER 'General case' 0 C--O 1.236 0.363 0 C-N-CA 127.024 2.13 . . . . 1.01 108.959 -168.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.19 -48.53 56.77 Favored 'General case' 0 N--CA 1.448 -0.535 0 N-CA-C 107.681 -1.229 . . . . 1.77 107.681 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -50.53 -47.72 57.48 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 123.282 0.364 . . . . 0.74 111.032 177.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 52.3 mtt-85 -59.99 -48.06 83.27 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 120.366 -0.534 . . . . 3.31 110.245 175.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.67 -46.11 63.68 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.184 -0.948 . . . . 4.05 110.1 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.044 HG11 HD21 ' A' ' 44' ' ' LEU . 90.2 t -58.96 -61.87 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 C-N-CA 122.586 0.354 . . . . 0.94 111.011 174.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.0 pt-20 -59.35 -44.75 92.63 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 106.516 -1.661 . . . . 2.2 106.516 -166.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -65.8 -39.24 90.74 Favored 'General case' 0 N--CA 1.443 -0.787 0 O-C-N 121.239 -0.913 . . . . 1.17 110.204 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.6 -19.37 48.46 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 112.962 0.727 . . . . 0.84 112.962 169.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 22' ' ' VAL . 63.2 t -88.25 -47.57 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 C-N-CA 124.095 0.958 . . . . 1.56 109.439 171.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 33.6 mtm105 -64.17 -29.98 71.07 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 120.067 -1.646 . . . . 3.31 111.276 -173.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.411 ' HG3' HD23 ' A' ' 29' ' ' LEU . 3.0 pt20 -60.23 -16.83 37.04 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 117.989 -1.005 . . . . 0.7 113.477 178.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.411 HD23 ' HG3' ' A' ' 28' ' ' GLN . 2.0 mt -63.88 -104.97 0.0 OUTLIER 'General case' 0 C--N 1.344 0.344 0 CA-C-N 119.086 0.857 . . . . 0.51 110.769 -178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 175.49 -50.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 124.554 1.141 . . . . 0.34 109.146 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.15 -13.32 81.13 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-N 115.532 -0.758 . . . . 0.49 112.606 -171.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 62.8 t -58.52 144.24 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 123.62 0.768 . . . . 0.61 109.087 168.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -120.2 -47.84 2.35 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-O 119.169 -0.444 . . . . 2.84 109.961 164.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -130.63 159.3 37.6 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.567 0.699 . . . . 1.42 109.451 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -156.33 137.74 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 107.303 -1.369 . . . . 1.37 107.303 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -136.54 98.54 3.84 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 107.564 -1.273 . . . . 1.75 107.564 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.4 m -93.92 131.52 40.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 C-N-CA 126.709 2.004 . . . . 1.68 105.664 175.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.2 tp -132.51 116.14 16.37 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.928 -0.767 . . . . 0.41 108.928 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 56.7 m-85 -63.57 161.18 15.13 Favored 'General case' 0 CA--C 1.516 -0.331 0 C-N-CA 124.436 1.094 . . . . 2.9 111.838 172.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.08 -38.43 0.42 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 129.326 3.05 . . . . 1.3 111.095 175.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.1 m -75.82 -17.88 59.68 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.989 1.316 . . . . 1.1 109.901 164.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 45.92 43.56 10.39 Favored 'General case' 0 C--N 1.343 0.323 0 C-N-CA 125.228 1.411 . . . . 3.81 110.76 -171.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.02 129.65 45.31 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 108.411 -0.959 . . . . 1.25 108.411 -175.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.044 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -98.33 128.5 44.78 Favored 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 105.074 -2.195 . . . . 1.5 105.074 160.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 t -127.76 126.8 67.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.877 0 O-C-N 124.24 0.963 . . . . 0.64 109.402 155.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.8 t -115.55 133.2 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 124.855 1.262 . . . . 0.44 110.045 171.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -114.29 106.75 14.71 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.096 1.758 . . . . 2.94 106.374 178.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -138.96 121.48 16.18 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 124.494 1.118 . . . . 1.01 110.703 -170.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.51 59.94 5.75 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 124.918 1.287 . . . . 2.01 110.125 -174.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -174.3 -35.74 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.269 1.428 . . . . 2.76 111.468 175.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 46.7 t0 80.0 136.59 0.06 Allowed 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 128.964 2.906 . . . . 3.73 111.618 -171.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.471 HD13 HG23 ' A' ' 56' ' ' VAL . 1.2 pp -156.73 26.3 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 128.333 2.653 . . . . 0.66 110.145 -169.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -54.83 -49.55 70.76 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 121.266 1.848 . . . . 3.12 112.631 -173.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.36 -31.12 68.92 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 123.406 0.441 . . . . 0.31 110.523 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -51.3 37.29 Favored 'General case' 0 N--CA 1.446 -0.645 0 N-CA-C 109.673 -0.492 . . . . 3.0 109.673 179.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.828 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 45.3 t -65.45 -48.28 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 N-CA-C 108.158 -1.053 . . . . 0.47 108.158 -177.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -50.78 -60.83 2.65 Favored 'General case' 0 C--O 1.22 -0.493 0 CA-C-O 117.177 -1.392 . . . . 2.79 110.814 174.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.4 t -48.54 -47.2 39.43 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 120.501 1.5 . . . . 0.56 110.855 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.52 -51.75 68.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.709 0.404 . . . . 0.41 111.744 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.896 HD21 HG13 ' A' ' 22' ' ' VAL . 77.7 mt -62.89 -46.58 87.17 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.218 1.007 . . . . 1.1 110.565 -177.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -50.45 -52.78 34.94 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.11 0.964 . . . . 3.45 108.689 174.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -63.8 -42.45 97.72 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 121.108 -0.237 . . . . 4.3 111.527 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.37 -40.04 81.21 Favored 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 123.826 0.85 . . . . 0.52 110.685 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.98 57.7 0.15 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.677 -0.969 . . . . 0.92 110.677 172.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -128.88 177.6 6.98 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.0 0.92 . . . . 2.09 108.565 170.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.0 p -136.07 125.97 25.84 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 107.469 -1.308 . . . . 2.13 107.469 172.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.06 168.32 20.59 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.411 1.084 . . . . 1.64 110.133 -178.663 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.27 121.27 16.67 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 102.254 -3.239 . . . . 5.17 102.254 -179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -61.52 100.45 0.14 Allowed 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 122.955 1.36 . . . . 2.73 111.965 -167.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -81.05 163.18 23.4 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 113.961 -1.472 . . . . 3.39 110.379 -166.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -59.25 149.72 27.78 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.214 -0.903 . . . . 5.44 110.615 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -75.97 69.25 2.56 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.135 0.974 . . . . 2.29 109.551 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 68.59 -59.39 0.46 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 126.614 1.966 . . . . 3.68 112.098 -172.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--O 1.25 1.083 0 C-N-CA 124.19 0.996 . . . . 6.94 109.126 -161.5 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 110.609 -0.145 . . . . 6.3 110.609 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.09 -120.84 3.25 Favored Glycine 0 C--N 1.335 0.473 0 N-CA-C 109.639 -1.384 . . . . 1.64 109.639 177.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.402 ' HB ' ' CE1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -127.53 156.36 42.32 Favored 'General case' 0 CA--C 1.521 -0.167 0 N-CA-C 108.829 -0.804 . . . . 0.98 108.829 176.208 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.8 138.33 47.34 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.027 1.331 . . . . 3.68 109.017 -179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.484 ' HB2' ' CH2' ' A' ' 8' ' ' TRP . 9.9 m-85 -139.33 148.39 42.85 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 117.59 -1.195 . . . . 1.77 112.464 -179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.2 t -122.81 154.91 37.59 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 119.896 1.225 . . . . 2.65 113.506 176.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.821 ' CE3' HG11 ' A' ' 56' ' ' VAL . 10.2 m-90 -134.7 152.01 51.44 Favored 'General case' 0 C--N 1.345 0.386 0 C-N-CA 127.034 2.134 . . . . 3.01 108.389 170.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -103.95 82.92 2.04 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.092 1.357 . . . . 2.55 108.326 -171.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.3 t -92.39 90.65 3.17 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.105 0 CA-C-O 121.835 0.826 . . . . 2.3 110.29 -155.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.54 95.44 9.62 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 106.712 -1.588 . . . . 0.92 106.712 -174.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.3 -27.22 0.88 Allowed Glycine 0 CA--C 1.526 0.739 0 CA-C-N 114.409 -1.269 . . . . 1.08 110.031 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.447 ' SD ' HG21 ' A' ' 22' ' ' VAL . 27.4 ttp -69.88 85.82 0.51 Allowed 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 122.124 -0.633 . . . . 1.99 110.016 173.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.45 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 60.7 t0 -130.56 77.73 1.8 Allowed 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.975 0.51 . . . . 3.4 110.432 167.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.64 140.6 0.1 Allowed 'General case' 0 C--N 1.34 0.155 0 C-N-CA 125.123 1.369 . . . . 2.75 108.382 171.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.74 94.45 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.409 1.004 . . . . 2.06 112.028 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.92 -32.2 71.7 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.746 -0.596 . . . . 0.98 111.28 174.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 87.3 m -83.12 -32.42 26.71 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.392 1.077 . . . . 2.31 109.094 -177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.66 -43.43 72.39 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.877 -0.515 . . . . 0.57 109.847 168.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.452 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 16.1 mtt85 -55.74 -45.49 78.02 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 121.061 -1.024 . . . . 3.51 111.818 172.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.76 -35.4 22.22 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 120.571 -1.331 . . . . 3.69 112.369 175.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.447 HG21 ' SD ' ' A' ' 13' ' ' MET . 94.4 t -67.01 -55.41 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 119.592 1.087 . . . . 0.64 112.101 175.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.452 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.6 pt-20 -61.09 -41.81 97.34 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 106.977 -1.49 . . . . 1.99 106.977 -176.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 12.4 m-80 -67.62 -35.54 79.12 Favored 'General case' 0 N--CA 1.448 -0.574 0 O-C-N 120.601 -1.312 . . . . 0.52 109.515 -175.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.96 -30.11 58.27 Favored 'General case' 0 C--N 1.341 0.233 0 CA-C-O 118.312 -0.851 . . . . 0.66 112.42 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.533 HG12 ' CG2' ' A' ' 56' ' ' VAL . 16.1 m -93.2 -38.89 10.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 119.648 1.113 . . . . 2.08 112.457 174.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.4 mtp180 -61.21 -31.07 70.84 Favored 'General case' 0 CA--C 1.529 0.166 0 O-C-N 121.201 -0.937 . . . . 2.64 109.764 -174.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -67.68 -14.03 62.6 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 113.998 1.11 . . . . 0.61 113.998 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mt -69.15 -113.66 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.284 0.947 . . . . 0.47 109.435 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.99 -48.46 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 124.701 1.201 . . . . 0.39 108.55 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.78 -5.33 86.54 Favored Glycine 0 CA--C 1.533 1.178 0 CA-C-N 115.859 -0.609 . . . . 0.46 113.588 -172.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.446 HG21 ' HB ' ' A' ' 26' ' ' VAL . 44.4 t -67.21 132.19 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.858 0.863 . . . . 0.56 108.697 173.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -99.14 -53.71 3.17 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 108.237 -1.023 . . . . 1.95 108.237 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -154.05 141.65 19.87 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.088 -1.449 . . . . 1.51 107.088 -168.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.7 p -131.99 135.16 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.567 0 C-N-CA 125.364 1.466 . . . . 1.67 108.025 -172.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.428 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 6.4 mt-30 -114.99 86.79 2.52 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 124.898 1.279 . . . . 1.95 107.799 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.4 93.19 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 125.133 1.373 . . . . 1.94 107.634 176.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.1 tp -95.19 74.41 3.4 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 105.744 -1.947 . . . . 0.61 105.744 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 3.8 t80 -63.56 85.53 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 114.297 -1.32 . . . . 3.36 108.294 169.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.14 -41.6 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 129.294 3.038 . . . . 2.32 107.65 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 m -110.28 23.31 14.45 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.659 0.784 . . . . 1.16 112.081 -175.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 40.02 45.67 1.66 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.783 1.633 . . . . 4.56 110.731 174.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.91 133.08 37.3 Favored 'General case' 0 CA--C 1.497 -1.086 0 N-CA-C 103.138 -2.912 . . . . 1.68 103.138 -169.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 44' ' ' LEU . 1.2 mt -96.28 144.44 26.46 Favored 'General case' 0 N--CA 1.414 -2.236 0 O-C-N 125.103 1.502 . . . . 1.42 108.392 156.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 2.2 t -122.84 146.77 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.809 0 N-CA-C 108.37 -0.974 . . . . 0.83 108.37 148.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.2 t -135.47 107.0 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 C-N-CA 127.59 2.356 . . . . 1.06 105.425 -175.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.8 108.14 20.36 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.026 -1.101 . . . . 2.27 108.026 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.73 150.64 43.68 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.212 1.005 . . . . 0.59 111.036 -167.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -99.38 59.26 1.11 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 125.008 1.323 . . . . 2.01 108.814 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.41 166.85 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 127.309 2.243 . . . . 1.78 109.859 177.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -91.8 81.87 5.21 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 127.563 2.345 . . . . 4.57 110.913 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -106.77 16.8 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.185 0.994 . . . . 0.66 112.437 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HD2' ' CD1' ' A' ' 6' ' ' TYR . 5.4 mtp-105 -70.34 -44.4 68.25 Favored 'General case' 0 CA--C 1.507 -0.675 0 O-C-N 120.629 -1.294 . . . . 3.13 111.037 -160.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.22 -24.32 67.16 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 109.745 -0.465 . . . . 0.37 109.745 173.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.31 -41.08 73.79 Favored 'General case' 0 C--N 1.344 0.361 0 O-C-N 120.95 -1.094 . . . . 2.52 108.231 174.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.821 HG11 ' CE3' ' A' ' 8' ' ' TRP . 1.2 t -57.5 -56.2 16.67 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 N-CA-C 108.786 -0.82 . . . . 1.65 108.786 173.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -48.85 80.04 Favored 'General case' 0 N--CA 1.441 -0.88 0 N-CA-C 107.803 -1.184 . . . . 3.26 107.803 -167.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.7 t -51.32 -49.23 61.76 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 123.464 0.478 . . . . 0.74 110.248 176.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.74 -52.92 63.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.155 0.582 . . . . 0.38 112.144 -179.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.566 HD12 HG13 ' A' ' 56' ' ' VAL . 0.7 OUTLIER -60.86 -44.35 97.15 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-O 121.502 0.667 . . . . 1.12 110.191 -178.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.06 -49.41 77.45 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.049 -0.723 . . . . 2.27 109.049 -179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -60.62 -43.75 97.14 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 123.244 0.34 . . . . 6.61 111.187 178.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.52 -40.44 65.45 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.786 0.834 . . . . 0.6 110.716 176.406 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 128.91 55.68 0.11 Allowed Glycine 0 C--N 1.335 0.514 0 N-CA-C 110.718 -0.953 . . . . 0.49 110.718 167.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -131.12 168.65 17.08 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.325 0.65 . . . . 1.92 110.285 177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 82.2 p -117.64 135.79 53.75 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 105.926 -1.879 . . . . 2.35 105.926 168.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.472 HD13 ' HD1' ' A' ' 8' ' ' TRP . 3.5 pp -141.15 165.42 27.57 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 106.441 -1.689 . . . . 1.28 106.441 176.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.3 mtt85 -135.63 126.78 28.07 Favored 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 104.413 -2.439 . . . . 4.43 104.413 165.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -41.79 107.7 0.08 Allowed 'General case' 0 N--CA 1.445 -0.725 0 C-N-CA 125.225 1.41 . . . . 3.18 111.964 177.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -94.9 171.78 8.56 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 107.203 -1.406 . . . . 2.3 107.203 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -65.24 157.41 28.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 122.217 1.008 . . . . 4.41 110.536 -167.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.04 54.21 2.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.387 -0.824 . . . . 2.73 110.306 174.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.05 161.22 2.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.843 1.257 . . . . 4.52 110.147 -177.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.014 1 C-N-CA 133.059 4.543 . . . . 10.49 102.956 171.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 108.672 -0.862 . . . . 4.34 108.672 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.35 -164.79 6.31 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 110.505 -1.038 . . . . 1.55 110.505 174.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.9 m -137.94 140.66 40.38 Favored 'General case' 0 CA--C 1.511 -0.537 0 O-C-N 120.876 -1.367 . . . . 1.28 111.766 173.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.413 ' CG ' HG13 ' A' ' 45' ' ' VAL . 17.4 ttm180 -96.08 127.02 41.71 Favored 'General case' 0 N--CA 1.431 -1.417 0 CA-C-N 112.866 -1.97 . . . . 3.24 107.377 177.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.652 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 7.5 m-85 -105.41 123.55 48.06 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 127.422 2.289 . . . . 2.34 111.963 170.126 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.6 m -100.53 150.36 22.76 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 118.62 0.645 . . . . 1.93 109.57 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.881 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -136.56 161.34 36.16 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.497 1.519 . . . . 1.13 109.051 165.476 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -111.4 110.03 20.29 Favored 'General case' 0 C--N 1.338 0.078 0 N-CA-C 106.132 -1.803 . . . . 2.04 106.132 174.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.408 HG21 HD23 ' A' ' 44' ' ' LEU . 1.5 t -98.8 174.41 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 N-CA-C 108.417 -0.957 . . . . 1.27 108.417 -177.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.8 111.04 4.88 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.251 -0.905 . . . . 0.89 108.894 169.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 130.94 -24.17 4.31 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.901 0.762 . . . . 1.02 112.599 172.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.2 tmm? -69.12 85.79 0.37 Allowed 'General case' 0 N--CA 1.45 -0.456 0 O-C-N 121.82 -0.812 . . . . 2.12 109.718 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -147.52 65.35 1.13 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.05 0.453 . . . . 3.27 111.713 170.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 m -141.59 -91.71 0.14 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.015 0.526 . . . . 2.31 111.845 172.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.33 -66.81 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.865 0.866 . . . . 2.2 109.026 -176.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.98 -33.51 62.56 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 122.841 0.456 . . . . 0.96 110.893 176.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.5 p -69.17 -40.2 78.27 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.902 -0.777 . . . . 2.96 108.902 -179.19 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -61.03 -41.49 96.66 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 118.073 0.397 . . . . 0.61 110.17 176.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -61.41 -53.38 57.37 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 118.443 -1.303 . . . . 2.59 110.817 172.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -48.86 -39.48 25.9 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 121.07 -1.018 . . . . 3.88 111.777 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.962 HG11 HD21 ' A' ' 44' ' ' LEU . 55.0 t -58.61 -63.11 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.491 0 CA-C-N 118.597 0.635 . . . . 0.49 112.51 170.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.586 ' O ' HG22 ' A' ' 26' ' ' VAL . 12.1 pt-20 -59.02 -41.15 87.04 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 107.376 -1.342 . . . . 1.77 107.376 -170.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -66.07 -32.91 74.66 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 124.403 1.081 . . . . 0.61 110.944 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.61 -21.4 26.65 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 118.42 -0.8 . . . . 0.47 111.865 168.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.611 HG12 HG13 ' A' ' 56' ' ' VAL . 3.9 m -103.82 -42.26 7.72 Favored 'Isoleucine or valine' 0 C--N 1.342 0.259 0 CA-C-N 118.983 0.81 . . . . 1.93 113.021 177.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.5 mtm180 -60.83 -24.98 66.29 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.261 -0.899 . . . . 2.63 110.94 -178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -69.34 -14.21 62.8 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 118.663 -0.684 . . . . 0.5 112.687 177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -112.49 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.094 0.958 . . . . 0.7 109.481 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.09 -47.76 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 125.007 1.323 . . . . 0.43 108.647 -178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.84 -20.37 65.72 Favored Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.739 -0.664 . . . . 0.49 113.399 -172.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.0 t -58.86 134.15 23.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 C-N-CA 123.532 0.733 . . . . 0.46 109.259 173.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -103.16 -57.71 2.0 Allowed 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 107.492 -1.299 . . . . 2.16 107.492 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -132.61 161.59 33.48 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 106.732 -1.581 . . . . 1.35 106.732 -172.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.5 p -156.85 141.6 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.544 0 N-CA-C 107.625 -1.25 . . . . 1.45 107.625 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -135.78 104.03 5.61 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 107.759 -1.2 . . . . 1.71 107.759 176.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.0 m -95.37 123.2 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 127.193 2.197 . . . . 1.59 105.611 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.9 tp -118.73 116.91 27.54 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.025 -0.732 . . . . 0.58 109.025 -175.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 22.4 m-85 -64.81 165.27 10.85 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.029 0.932 . . . . 2.76 112.09 171.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 70.23 -49.22 0.64 Allowed 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 126.548 1.939 . . . . 1.3 111.755 -178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.1 m -84.89 9.15 15.13 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.3 1.44 . . . . 0.96 112.047 177.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 32.72 42.28 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 127.382 2.273 . . . . 4.52 114.159 -178.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.66 132.7 50.59 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.384 -0.598 . . . . 1.31 109.384 -169.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.962 HD21 HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -103.83 122.78 45.85 Favored 'General case' 0 CA--C 1.502 -0.873 0 N-CA-C 106.132 -1.803 . . . . 1.59 106.132 168.664 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.413 HG13 ' CG ' ' A' ' 5' ' ' ARG . 14.4 t -125.95 119.69 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 O-C-N 124.153 0.908 . . . . 0.71 109.228 163.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.9 t -116.61 131.31 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 124.556 1.142 . . . . 0.49 109.413 175.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -116.14 99.59 7.34 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 125.456 1.503 . . . . 3.14 107.832 -172.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.525 ' HB3' ' HE2' ' A' ' 6' ' ' TYR . . . -123.34 175.92 6.43 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.039 0.936 . . . . 1.03 110.401 -175.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.97 53.38 1.71 Allowed 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 124.272 1.029 . . . . 1.76 109.713 -175.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.469 ' OD1' ' HB1' ' A' ' 48' ' ' ALA . 13.4 p-10 -177.29 -41.92 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.501 -0.749 . . . . 2.86 112.926 -169.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.254 9.3 t0 81.59 121.46 0.05 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 127.856 2.462 . . . . 3.36 110.795 -172.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.464 HD13 HG23 ' A' ' 56' ' ' VAL . 1.5 pp -149.27 31.6 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.875 0 C-N-CA 125.58 1.552 . . . . 0.58 107.247 -175.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 31.0 mtm-85 -61.96 -47.75 83.44 Favored 'General case' 0 CA--C 1.515 -0.377 0 O-C-N 121.36 -0.837 . . . . 2.61 111.288 -171.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.57 -32.99 59.49 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 123.543 0.527 . . . . 0.29 110.868 172.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -76.27 -44.14 38.54 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 109.083 -0.71 . . . . 2.63 109.083 -175.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.881 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 52.4 t -65.15 -48.19 84.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 N-CA-C 107.993 -1.114 . . . . 0.39 107.993 178.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -47.1 -60.22 2.61 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 118.102 -0.952 . . . . 2.3 111.02 171.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.1 t -47.94 -45.76 31.42 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.276 0.944 . . . . 0.56 110.355 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.52 -54.49 44.85 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 112.279 0.474 . . . . 0.41 112.279 177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.646 HD12 HG12 ' A' ' 56' ' ' VAL . 7.3 mt -60.03 -45.2 93.59 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.786 0.835 . . . . 1.03 111.154 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.24 -51.41 68.22 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 108.848 -0.797 . . . . 2.32 108.848 177.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.6 tttt -66.82 -37.38 84.41 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 120.996 -0.282 . . . . 3.98 111.512 -179.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.03 79.6 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 124.06 0.944 . . . . 0.68 110.37 177.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.4 43.39 0.29 Allowed Glycine 0 C--N 1.336 0.534 0 C-N-CA 124.08 0.848 . . . . 0.54 111.547 167.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -130.93 125.67 34.07 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 108.732 -0.84 . . . . 1.91 108.732 175.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -80.56 119.47 23.26 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 106.349 -1.722 . . . . 1.5 106.349 172.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.476 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.8 pp -119.38 -179.16 3.78 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.447 0.699 . . . . 0.79 109.456 170.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mtp-105 -134.79 140.45 45.9 Favored 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 104.129 -2.545 . . . . 5.33 104.129 165.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.96 128.68 38.1 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 106.204 -1.776 . . . . 3.42 106.204 168.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -100.56 176.5 5.31 Favored 'General case' 0 N--CA 1.445 -0.719 0 O-C-N 124.435 1.084 . . . . 2.71 109.787 168.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.29 172.4 4.85 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.523 0.678 . . . . 3.43 109.969 170.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.68 -68.68 0.34 Allowed 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.633 -0.877 . . . . 1.86 108.633 177.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.55 -60.28 0.1 Allowed 'General case' 0 CA--C 1.521 -0.169 0 N-CA-C 107.507 -1.294 . . . . 2.56 107.507 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 C--O 1.261 1.68 0 N-CA-C 104.06 -2.57 . . . . 7.32 104.06 149.665 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.533 0.321 0 CA-C-O 120.564 0.221 . . . . 6.38 111.352 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.49 -120.35 1.22 Allowed Glycine 0 CA--C 1.524 0.632 0 C-N-CA 125.356 1.455 . . . . 1.51 110.715 -176.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.3 m -141.72 139.64 32.94 Favored 'General case' 0 CA--C 1.516 -0.335 0 O-C-N 121.127 -1.219 . . . . 0.89 110.613 175.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -96.34 119.23 34.45 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 124.744 1.277 . . . . 3.17 108.967 -178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.817 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 22.0 m-85 -107.31 132.02 53.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 117.614 -1.184 . . . . 2.22 113.298 170.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.0 t -109.18 151.37 26.56 Favored 'General case' 0 C--N 1.351 0.643 0 C-N-CA 124.556 1.142 . . . . 2.05 110.697 176.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.896 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.3 m-90 -143.93 169.57 17.55 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.292 1.437 . . . . 1.11 112.093 169.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -117.61 96.94 5.61 Favored 'General case' 0 C--N 1.346 0.438 0 C-N-CA 125.999 1.719 . . . . 1.87 108.26 -173.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.08 114.96 38.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 123.314 0.646 . . . . 1.45 109.698 -166.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -114.37 77.53 1.07 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 109.304 -0.628 . . . . 1.09 109.304 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.3 -35.74 0.18 Allowed Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.377 -0.689 . . . . 1.0 111.377 -176.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 3.7 tmm? -67.04 95.1 0.37 Allowed 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 122.144 -0.621 . . . . 2.28 110.411 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.513 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 31.8 t0 -140.93 85.35 1.98 Allowed 'General case' 0 N--CA 1.448 -0.571 0 O-C-N 123.448 0.467 . . . . 3.75 110.037 170.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.64 140.78 0.06 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 125.16 1.384 . . . . 2.47 108.918 167.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.33 61.61 0.66 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.855 1.262 . . . . 2.73 110.946 177.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -176.57 -51.33 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 127.263 2.225 . . . . 1.13 107.495 -172.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 m -68.6 -30.37 69.09 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.692 -0.855 . . . . 2.41 108.692 172.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.09 -56.46 7.74 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 122.817 0.447 . . . . 0.75 110.927 166.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 17.5 mtt-85 -56.26 -42.86 78.08 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 121.706 -0.622 . . . . 3.86 110.734 -179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.53 -37.3 3.44 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.139 0.427 . . . . 2.86 111.458 178.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.152 HG11 HD21 ' A' ' 44' ' ' LEU . 39.8 t -66.51 -57.87 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.871 0 CA-C-N 118.589 0.631 . . . . 0.83 112.158 175.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.414 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 8.8 pt-20 -56.63 -40.53 75.55 Favored 'General case' 0 C--O 1.217 -0.634 0 N-CA-C 106.888 -1.523 . . . . 2.01 106.888 -174.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -69.44 -36.63 76.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 121.388 -0.82 . . . . 0.53 110.658 -178.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.31 -21.46 35.13 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 124.398 1.079 . . . . 0.47 112.238 171.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.7 m -107.14 -36.54 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 119.07 0.85 . . . . 1.92 113.05 177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -57.25 -27.46 62.09 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.046 0.938 . . . . 2.39 109.972 177.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -72.56 -14.74 61.7 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 113.615 0.969 . . . . 0.59 113.615 178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.46 -111.05 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.928 0.891 . . . . 0.62 110.251 178.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -179.15 -52.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 124.752 1.221 . . . . 0.37 108.207 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.69 -24.13 70.82 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-N 115.339 -0.846 . . . . 0.62 112.591 -173.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.8 t -55.41 121.78 3.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 C-N-CA 124.537 1.135 . . . . 0.71 110.051 178.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -98.05 -52.78 3.58 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.694 -0.854 . . . . 2.08 108.694 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -152.31 117.52 5.23 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.549 -0.908 . . . . 1.67 108.549 -167.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -112.65 135.93 50.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.327 1.451 . . . . 1.48 108.257 -177.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -118.7 109.01 15.6 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 107.713 -1.218 . . . . 2.68 107.713 170.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.8 m -94.57 103.97 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 106.696 -1.594 . . . . 1.55 106.696 171.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.6 tp -98.12 80.9 2.74 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 105.419 -2.067 . . . . 0.49 105.419 177.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.513 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.6 t80 -62.99 82.78 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 113.949 -1.478 . . . . 3.36 108.276 172.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 172.0 -42.37 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 127.37 2.268 . . . . 1.85 109.448 178.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 m -106.87 31.79 5.05 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.919 0.888 . . . . 1.25 110.154 -176.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 37.71 28.68 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.068 2.547 . . . . 5.37 114.195 -179.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.5 129.39 55.56 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.165 -1.42 . . . . 1.33 107.165 -164.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 1.152 HD21 HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -106.3 125.16 50.66 Favored 'General case' 0 CA--C 1.498 -1.04 0 CA-C-O 116.574 -1.679 . . . . 1.3 106.865 165.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.6 t -127.13 136.48 60.6 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 O-C-N 124.299 0.999 . . . . 0.67 111.267 165.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.2 t -133.61 113.67 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.913 0 N-CA-C 106.6 -1.63 . . . . 0.53 106.6 -176.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.69 112.67 24.46 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.821 -1.548 . . . . 2.58 106.821 174.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.07 143.26 44.54 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.692 1.197 . . . . 0.59 111.54 -168.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -83.92 58.96 4.97 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.322 1.049 . . . . 2.51 109.71 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.02 158.49 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.063 2.145 . . . . 1.76 108.639 173.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.18 122.1 23.84 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.333 -0.547 . . . . 3.21 109.754 169.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.495 HD13 HG23 ' A' ' 56' ' ' VAL . 2.2 pp -143.42 31.77 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 N-CA-C 108.622 -0.881 . . . . 0.53 108.622 177.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 38.9 mtm-85 -64.74 -49.11 72.08 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 121.479 -0.763 . . . . 2.87 110.256 -171.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.07 -30.59 62.2 Favored 'General case' 0 N--CA 1.449 -0.509 0 O-C-N 123.698 0.623 . . . . 0.29 110.41 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.85 -50.76 26.66 Favored 'General case' 0 N--CA 1.447 -0.625 0 N-CA-C 109.63 -0.508 . . . . 3.2 109.63 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.896 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 65.4 t -61.8 -49.09 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 N-CA-C 107.797 -1.186 . . . . 0.43 107.797 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -50.16 -57.26 8.12 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 117.618 -1.182 . . . . 2.74 110.935 176.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 7.9 t -52.75 -44.24 66.31 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.531 1.514 . . . . 0.69 110.706 -178.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.12 -50.08 74.73 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.642 0.377 . . . . 0.26 111.395 177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.742 HD21 HG13 ' A' ' 22' ' ' VAL . 80.0 mt -65.37 -41.61 93.6 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.687 0.795 . . . . 1.06 110.844 -178.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -51.04 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.621 0.768 . . . . 2.43 109.191 174.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -60.79 -47.32 86.87 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 111.494 0.183 . . . . 6.37 111.494 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.2 67.91 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.819 0.847 . . . . 0.51 111.058 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 126.46 50.81 0.17 Allowed Glycine 0 CA--C 1.523 0.576 0 C-N-CA 124.468 1.033 . . . . 0.72 111.274 169.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -131.11 148.17 52.7 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 117.514 0.657 . . . . 2.1 110.848 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 p -104.21 132.09 50.82 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.239 1.415 . . . . 2.32 107.742 173.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 8' ' ' TRP . 0.5 OUTLIER -155.96 165.34 36.75 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 127.25 2.22 . . . . 1.48 107.255 179.814 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.9 mtt180 -142.07 72.03 1.37 Allowed 'General case' 0 CA--C 1.531 0.224 0 CA-C-O 118.138 -0.934 . . . . 3.88 109.663 -169.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t0 9.91 74.21 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 127.253 2.221 . . . . 3.19 114.399 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -77.25 156.72 31.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 121.97 0.891 . . . . 3.05 109.178 -170.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -57.16 152.44 13.59 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.379 -0.828 . . . . 5.73 111.042 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.24 -59.92 4.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.117 0.967 . . . . 2.23 111.323 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -175.33 70.06 0.02 OUTLIER 'General case' 0 C--O 1.231 0.101 0 N-CA-C 106.044 -1.835 . . . . 2.46 106.044 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.258 1.539 0 CA-C-O 116.632 -1.651 . . . . 5.73 108.227 -154.254 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t . . . . . 0 CA--C 1.531 0.247 0 N-CA-C 109.981 -0.377 . . . . 4.82 109.981 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 126.63 176.14 14.38 Favored Glycine 0 C--N 1.333 0.398 0 C-N-CA 124.28 0.943 . . . . 1.23 112.352 168.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 m -143.31 137.64 28.95 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 122.203 -0.587 . . . . 0.89 110.936 177.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -99.24 118.28 35.59 Favored 'General case' 0 N--CA 1.439 -1.008 0 O-C-N 124.783 1.302 . . . . 3.28 108.969 177.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.642 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 16.5 m-85 -97.75 148.7 23.1 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 124.47 1.108 . . . . 2.01 112.728 166.801 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.473 ' C ' ' HE3' ' A' ' 8' ' ' TRP . 20.0 m -125.64 150.46 47.56 Favored 'General case' 0 C--N 1.343 0.287 0 C-N-CA 124.098 0.959 . . . . 2.04 110.232 174.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.802 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.1 OUTLIER -136.91 169.89 17.01 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.468 1.507 . . . . 1.06 108.128 170.727 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.28 126.83 53.37 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 104.35 -2.463 . . . . 1.94 104.35 170.145 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.1 t -120.75 147.74 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 120.271 1.396 . . . . 1.05 107.366 -176.529 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.74 102.56 5.72 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 106.745 -1.576 . . . . 1.06 106.745 175.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.32 -25.64 0.88 Allowed Glycine 0 CA--C 1.53 0.97 0 CA-C-O 119.656 -0.525 . . . . 1.0 113.187 173.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.85 69.85 0.71 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.341 1.07 . . . . 1.96 112.731 179.366 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 5.6 m-20 -108.82 58.47 0.61 Allowed 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.765 0.426 . . . . 4.66 111.591 -176.432 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -170.57 149.38 3.22 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.937 -0.477 . . . . 2.35 111.463 168.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.69 60.62 1.29 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.389 1.076 . . . . 2.69 111.548 178.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -170.36 -54.77 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 126.725 2.01 . . . . 1.3 107.056 -175.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.4 m -63.54 -34.5 77.93 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 108.335 -0.987 . . . . 2.35 108.335 170.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.34 -41.35 19.22 Favored 'General case' 0 N--CA 1.448 -0.563 0 C-N-CA 123.537 0.735 . . . . 1.02 111.922 167.711 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.62 -47.0 34.61 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 118.902 0.774 . . . . 2.68 109.13 175.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -49.38 -35.77 19.8 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 119.103 0.865 . . . . 3.46 112.325 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 42.9 t -54.07 -61.01 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 C-N-CA 123.887 0.875 . . . . 0.57 110.744 170.023 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.76 -37.94 87.73 Favored 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 119.603 -0.839 . . . . 2.18 108.892 -175.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -65.74 -34.48 78.27 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 120.709 -1.244 . . . . 0.59 110.175 -177.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.5 -20.92 49.88 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.059 0.544 . . . . 0.38 112.462 170.104 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.514 HG22 HG13 ' A' ' 56' ' ' VAL . 48.3 t -100.72 -44.89 11.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 125.832 1.653 . . . . 1.72 109.668 -177.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.9 mtp85 -61.94 -32.96 73.43 Favored 'General case' 0 C--N 1.332 -0.158 0 O-C-N 120.693 -1.254 . . . . 2.7 109.92 -175.126 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.05 -13.59 17.74 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 114.733 1.383 . . . . 0.68 114.733 175.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.3 mt -69.81 -115.66 0.0 OUTLIER 'General case' 0 C--N 1.342 0.266 0 CA-C-N 119.659 1.118 . . . . 0.84 110.404 177.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.53 -48.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.157 0.503 . . . . 0.34 109.831 -176.244 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.06 -19.67 79.76 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 115.61 -0.723 . . . . 0.38 112.309 -176.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.92 142.67 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.47 0 C-N-CA 124.694 1.198 . . . . 0.48 109.557 172.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -127.58 -43.54 1.57 Allowed 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 119.069 -0.491 . . . . 2.89 111.063 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -134.12 150.13 51.12 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 108.432 -0.951 . . . . 1.32 108.432 -177.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.4 t -142.72 143.0 26.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 124.051 0.94 . . . . 2.48 108.507 -175.593 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.408 ' HB2' ' HB ' ' A' ' 45' ' ' VAL . 21.9 mt-30 -134.69 89.9 2.59 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.787 1.635 . . . . 1.69 108.961 -175.732 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.404 HG22 HD21 ' A' ' 44' ' ' LEU . 6.1 t -91.69 100.45 11.24 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 125.903 1.681 . . . . 2.23 108.948 173.695 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 tp -98.26 71.41 2.08 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 106.243 -1.762 . . . . 0.58 106.243 172.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -52.77 117.62 3.06 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 106.257 -1.757 . . . . 3.46 106.257 160.64 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 127.04 -33.27 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 128.974 2.91 . . . . 1.59 110.106 -171.272 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.0 m -117.49 5.06 12.44 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.445 0.698 . . . . 1.01 110.372 178.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 49.49 37.82 13.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 125.66 1.584 . . . . 3.68 113.515 169.597 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.01 125.93 36.52 Favored 'General case' 0 N--CA 1.438 -1.056 0 N-CA-C 105.284 -2.117 . . . . 1.37 105.284 -178.756 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -98.79 140.55 32.82 Favored 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 105.714 -1.958 . . . . 1.45 105.714 178.027 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.408 ' HB ' ' HB2' ' A' ' 36' ' ' GLN . 36.8 t -125.4 144.54 35.11 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 118.492 0.587 . . . . 0.7 110.686 163.661 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.6 t -139.97 117.89 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 N-CA-C 107.313 -1.366 . . . . 0.38 107.313 -178.282 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -98.56 109.54 22.28 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.41 -1.7 . . . . 2.08 106.41 174.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -145.23 125.49 13.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.276 1.03 . . . . 0.92 109.347 -169.548 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -88.22 58.07 4.58 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.705 -0.479 . . . . 2.38 109.705 -168.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 175.23 175.71 0.21 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 127.071 2.148 . . . . 1.63 108.44 179.461 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -88.08 107.67 18.87 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.894 1.678 . . . . 4.89 110.336 175.763 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.85 19.25 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 O-C-N 121.491 -0.756 . . . . 0.61 112.655 175.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 mtm105 -63.22 -48.58 77.7 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 120.678 -1.264 . . . . 3.48 110.65 -170.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.95 -32.98 64.34 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 123.972 0.795 . . . . 0.28 110.76 172.495 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -75.59 -45.85 35.21 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.184 -0.673 . . . . 2.79 109.184 -175.024 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.802 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 42.4 t -65.82 -46.54 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 N-CA-C 109.142 -0.688 . . . . 0.43 109.142 178.416 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -48.97 -60.59 2.64 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-O 117.643 -1.17 . . . . 2.45 110.66 170.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.2 t -46.73 -47.84 20.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.768 1.167 . . . . 0.55 110.72 179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.58 -48.12 81.97 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.604 0.762 . . . . 0.3 112.498 178.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.455 HD12 HG12 ' A' ' 56' ' ' VAL . 22.2 mt -69.49 -44.84 70.28 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 123.8 0.84 . . . . 1.01 110.048 -177.609 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -55.55 26.39 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.94 -0.763 . . . . 2.27 108.94 175.579 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -19.7 62.22 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.987 -0.445 . . . . 5.31 112.039 -178.376 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.73 -19.7 65.81 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.228 -0.92 . . . . 0.47 111.768 167.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.03 51.29 1.01 Allowed Glycine 0 C--N 1.338 0.64 0 N-CA-C 110.735 -0.946 . . . . 0.57 110.735 175.152 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -132.7 176.68 8.25 Favored 'General case' 0 C--O 1.231 0.107 0 C-N-CA 123.829 0.852 . . . . 1.95 108.884 171.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 50.7 m -126.32 137.81 53.52 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.174 -1.417 . . . . 1.68 107.174 166.362 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.511 HD12 ' C ' ' A' ' 67' ' ' LEU . 2.9 pp -144.34 176.17 9.56 Favored 'General case' 0 N--CA 1.446 -0.666 0 C-N-CA 124.505 1.122 . . . . 0.77 108.492 173.051 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.73 151.82 51.89 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 106.129 -1.804 . . . . 4.41 106.129 162.426 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -81.64 90.77 6.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 124.147 0.979 . . . . 2.53 111.134 -168.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.61 157.82 33.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 O-C-N 120.917 -1.115 . . . . 2.6 113.565 -173.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -53.9 165.44 0.46 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 125.128 1.371 . . . . 5.79 112.581 169.266 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.12 58.47 5.06 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.298 1.039 . . . . 2.38 108.208 -167.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 75.66 -45.37 0.54 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.762 1.625 . . . . 3.57 110.883 -164.062 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.016 0 N-CA-C 103.647 -2.723 . . . . 5.86 103.647 166.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 110.685 -0.117 . . . . 5.98 110.685 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 133.83 121.05 2.15 Favored Glycine 0 C--N 1.338 0.667 0 N-CA-C 109.836 -1.306 . . . . 1.76 109.836 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 m -121.37 159.67 25.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.503 0.721 . . . . 1.03 109.081 173.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 ttm105 -114.19 135.54 53.93 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.8 1.24 . . . . 3.53 108.24 170.567 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.686 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 19.0 m-85 -118.27 142.9 47.01 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 125.33 1.452 . . . . 1.99 111.668 171.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.416 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 6.7 m -122.14 146.4 47.27 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.12 1.368 . . . . 2.13 110.064 -177.27 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.88 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.1 m-90 -137.47 158.67 43.9 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.96 0.904 . . . . 1.06 110.49 172.269 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.47 121.34 43.72 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 104.914 -2.254 . . . . 2.13 104.914 167.638 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -107.22 163.47 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 N-CA-C 107.525 -1.287 . . . . 1.07 107.525 175.789 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -145.18 101.16 3.58 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.665 -1.235 . . . . 0.92 107.665 173.543 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.96 -40.45 0.8 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.617 -0.593 . . . . 0.84 111.617 177.166 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.537 ' SD ' HG21 ' A' ' 22' ' ' VAL . 15.1 ptt? -72.1 104.82 3.72 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 119.145 -0.455 . . . . 1.93 109.892 -177.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -155.51 66.09 0.62 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 118.654 0.661 . . . . 2.83 110.892 168.482 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 23.3 m -145.0 -94.81 0.1 Allowed 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 123.076 0.551 . . . . 2.28 110.657 175.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.89 -59.01 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.445 1.098 . . . . 1.99 109.079 -175.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.13 -40.54 61.48 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-O 121.371 0.605 . . . . 0.94 110.872 173.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 94.5 m -70.1 -34.01 72.59 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 108.863 -0.792 . . . . 1.81 108.863 -178.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.747 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -58.7 -46.02 88.21 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.075 -0.713 . . . . 0.68 109.075 176.906 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 33.0 mtt180 -63.0 -52.6 62.34 Favored 'General case' 0 N--CA 1.437 -1.115 0 C-N-CA 119.36 -0.936 . . . . 3.31 109.73 176.649 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -47.49 -40.46 18.53 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 121.328 -0.858 . . . . 4.67 112.59 179.034 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG21 ' SD ' ' A' ' 13' ' ' MET . 68.3 t -62.18 -60.39 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 124.683 1.193 . . . . 0.62 110.918 174.058 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 9.5 pt-20 -58.85 -44.49 91.03 Favored 'General case' 0 C--O 1.219 -0.542 0 N-CA-C 107.818 -1.179 . . . . 2.02 107.818 -173.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.437 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 8.7 m-80 -60.18 -40.4 89.84 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.421 1.089 . . . . 1.02 109.268 -177.598 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.36 -22.35 30.47 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.044 0.757 . . . . 0.57 113.044 172.223 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.3 t -92.52 -45.93 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 124.484 1.114 . . . . 1.57 110.174 171.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 mtm105 -61.68 -29.39 70.05 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 120.265 -1.522 . . . . 3.43 110.679 -172.235 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -60.87 -13.36 15.13 Favored 'General case' 0 CA--C 1.537 0.457 0 N-CA-C 113.756 1.021 . . . . 1.26 113.756 176.669 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.81 -123.07 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 119.482 1.037 . . . . 0.71 109.284 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.66 -49.03 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.202 0 C-N-CA 123.738 0.815 . . . . 0.29 109.253 -177.05 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.49 -13.17 83.81 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 115.905 -0.589 . . . . 0.44 112.718 -177.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.0 t -53.54 137.56 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 123.513 0.725 . . . . 0.6 110.084 167.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.55 -48.99 3.65 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.24 -1.022 . . . . 2.14 108.24 173.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -160.72 154.41 22.36 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 106.903 -1.517 . . . . 1.25 106.903 -168.379 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.06 145.13 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 124.426 1.09 . . . . 2.08 108.95 -169.322 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.43 99.08 5.26 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.7 0.8 . . . . 3.72 110.6 173.297 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.416 HG22 HD21 ' A' ' 44' ' ' LEU . 9.9 t -93.43 116.98 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 126.46 1.904 . . . . 2.08 106.819 167.544 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.7 tp -128.44 115.69 18.58 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.768 -1.568 . . . . 0.69 106.768 174.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.747 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 40.8 m-85 -66.67 169.57 7.62 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.446 0.698 . . . . 2.35 111.371 174.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 78.32 -46.5 0.43 Allowed 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 127.477 2.311 . . . . 1.19 109.637 174.394 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m -74.48 -16.22 60.86 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.783 -0.451 . . . . 0.98 109.783 166.141 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.84 42.95 16.79 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.921 1.289 . . . . 3.89 110.839 -178.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.12 130.74 53.05 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 106.843 -1.54 . . . . 1.29 106.843 -171.046 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.513 ' HA ' HD23 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -101.24 138.92 37.62 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.132 -1.062 . . . . 1.17 108.132 178.366 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.1 t -126.37 147.13 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.783 0 O-C-N 124.264 0.977 . . . . 0.68 110.492 160.258 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.5 t -136.9 120.31 22.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 C-N-CA 125.159 1.384 . . . . 0.43 107.592 176.298 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.74 116.66 33.16 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.755 1.222 . . . . 2.36 107.843 176.21 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -146.66 151.15 36.78 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.304 1.442 . . . . 0.68 109.931 -167.438 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.94 52.46 0.82 Allowed 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 122.128 0.966 . . . . 2.25 111.272 -174.492 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 167.87 165.34 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.274 0 N-CA-C 104.942 -2.244 . . . . 2.53 104.942 -169.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -93.41 130.12 39.32 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 120.44 1.473 . . . . 3.3 109.708 170.262 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.402 HD13 HG23 ' A' ' 56' ' ' VAL . 1.7 pp -143.25 32.66 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 O-C-N 124.04 0.838 . . . . 0.48 109.581 173.552 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 mtm-85 -66.07 -48.26 71.56 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 120.975 -1.078 . . . . 2.78 110.366 -172.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.48 -35.14 52.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 123.841 0.713 . . . . 0.32 110.409 171.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -76.48 -42.45 43.54 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.564 -0.532 . . . . 2.63 109.564 -174.699 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.88 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 54.7 t -63.98 -51.64 66.75 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.968 0 N-CA-C 107.863 -1.162 . . . . 0.41 107.863 176.576 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -44.72 -60.13 2.17 Favored 'General case' 0 C--O 1.22 -0.455 0 CA-C-O 118.042 -0.98 . . . . 2.41 110.613 174.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 15.8 t -46.34 -47.89 18.48 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 118.853 0.751 . . . . 0.57 110.451 -179.938 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.08 -53.82 53.23 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 112.589 0.589 . . . . 0.33 112.589 178.024 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.577 HD12 HG12 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -57.24 -47.17 82.05 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 119.607 1.094 . . . . 1.18 111.837 177.553 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.37 -49.92 71.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.128 -0.942 . . . . 2.23 108.943 179.904 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -63.86 -42.6 97.51 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.537 -0.301 . . . . 3.96 111.145 177.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.47 -36.74 74.19 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.23 1.012 . . . . 0.5 111.121 -179.474 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.66 54.56 0.16 Allowed Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.279 0.942 . . . . 0.7 110.994 170.391 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.523 ' CD2' HD23 ' A' ' 60' ' ' LEU . 48.1 m-85 -138.19 146.02 42.18 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.508 0.723 . . . . 2.11 109.633 177.535 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.8 p -94.99 124.71 39.19 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.297 -1.372 . . . . 2.14 107.297 168.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.518 HD12 ' C ' ' A' ' 67' ' ' LEU . 3.6 pp -138.23 174.78 10.19 Favored 'General case' 0 N--CA 1.443 -0.809 0 N-CA-C 108.766 -0.827 . . . . 0.82 108.766 168.109 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -142.95 105.07 4.41 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 104.682 -2.34 . . . . 4.43 104.682 -177.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -28.62 98.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 126.205 1.802 . . . . 3.44 112.679 179.093 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.3 OUTLIER -85.28 155.4 21.38 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.623 0.725 . . . . 2.41 109.161 -174.506 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.47 120.88 0.96 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.334 1.454 . . . . 3.75 110.429 168.65 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -45.38 -66.76 0.36 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.496 1.118 . . . . 1.87 111.592 -179.245 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -159.24 175.38 13.48 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 127.908 2.483 . . . . 2.95 105.759 175.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 . . . . . 0 C--O 1.25 1.081 0 N-CA-C 107.253 -1.388 . . . . 5.59 107.253 171.634 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.1 m . . . . . 0 C--O 1.233 0.193 0 N-CA-C 107.105 -1.443 . . . . 4.31 107.105 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -77.9 179.23 51.54 Favored Glycine 0 CA--C 1.523 0.567 0 O-C-N 124.027 0.829 . . . . 1.33 111.689 173.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -127.48 140.53 52.08 Favored 'General case' 0 CA--C 1.516 -0.33 0 N-CA-C 109.026 -0.731 . . . . 1.08 109.026 174.565 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 ttm105 -97.29 127.88 43.64 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 114.201 -1.363 . . . . 3.61 109.38 -176.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.82 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 18.4 m-85 -117.18 125.48 51.26 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 124.712 1.205 . . . . 1.95 113.423 176.235 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t -97.27 143.01 28.46 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.915 1.686 . . . . 2.13 111.048 176.026 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.82 ' HZ3' ' HB3' ' A' ' 6' ' ' TYR . 0.0 OUTLIER -141.15 169.05 18.35 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.635 0.774 . . . . 1.14 111.239 159.462 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.66 105.67 13.89 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.423 2.289 . . . . 2.03 105.771 -177.088 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.445 HG21 HD23 ' A' ' 44' ' ' LEU . 5.4 t -100.84 129.13 52.21 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 120.243 1.383 . . . . 1.28 108.843 -170.335 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -118.16 96.24 5.24 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 107.808 -1.182 . . . . 0.94 107.808 -177.366 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.88 -35.74 0.62 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.841 -0.904 . . . . 0.76 110.841 175.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.1 ptt? -71.6 128.15 34.89 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-O 118.941 -0.552 . . . . 1.91 110.583 177.842 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -175.59 83.61 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 126.373 1.869 . . . . 3.03 108.699 162.014 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.64 -88.27 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.693 -0.629 . . . . 2.22 110.764 172.584 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -171.36 -57.72 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.179 0.992 . . . . 2.2 109.262 -177.409 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.46 -33.72 45.71 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.247 0.619 . . . . 1.26 110.943 173.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.8 m -72.92 -40.13 65.72 Favored 'General case' 0 N--CA 1.445 -0.723 0 N-CA-C 108.587 -0.894 . . . . 1.72 108.587 -177.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.9 -44.11 97.58 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.608 -0.516 . . . . 0.63 109.608 176.148 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 28.1 mtt85 -59.37 -52.01 67.47 Favored 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 118.572 -1.251 . . . . 3.04 110.811 172.766 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -45.83 -47.2 15.89 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.334 0.97 . . . . 2.79 111.678 176.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.706 ' CG1' HD21 ' A' ' 44' ' ' LEU . 47.6 t -57.96 -61.77 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 118.372 0.533 . . . . 0.8 111.594 175.361 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.495 ' O ' HG22 ' A' ' 26' ' ' VAL . 10.9 pt-20 -60.8 -41.75 96.27 Favored 'General case' 0 C--O 1.22 -0.493 0 N-CA-C 106.445 -1.687 . . . . 2.07 106.445 -167.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -66.03 -36.83 84.32 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 124.507 1.123 . . . . 0.83 110.292 -179.131 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.25 -21.1 47.06 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 118.109 -0.948 . . . . 0.44 112.492 170.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 23' ' ' GLU . 22.2 m -102.45 -38.14 5.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 119.694 1.133 . . . . 2.1 112.449 174.588 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -59.29 -27.92 66.29 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.368 1.067 . . . . 2.91 110.086 -178.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -70.89 -13.82 62.16 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 113.358 0.873 . . . . 0.49 113.358 178.104 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -119.76 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.708 0.685 . . . . 0.56 109.748 178.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -173.57 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 123.769 0.828 . . . . 0.39 108.993 -175.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.68 -26.37 65.31 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 112.009 -0.436 . . . . 0.81 112.009 -176.495 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 66.4 t -56.49 138.29 17.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 124.664 1.186 . . . . 0.53 109.84 179.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -140.64 -46.48 0.41 Allowed 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 119.048 -0.501 . . . . 2.71 111.843 177.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -125.02 80.46 1.88 Allowed 'General case' 0 C--O 1.227 -0.108 0 CA-C-O 122.316 1.055 . . . . 1.84 109.278 -174.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.53 140.35 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.67 -0.695 . . . . 1.41 109.837 173.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -129.8 105.56 8.1 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.098 -1.075 . . . . 2.17 108.098 166.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.7 t -93.47 118.46 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 105.832 -1.914 . . . . 2.02 105.832 174.498 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.4 tp -127.33 111.3 13.74 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 109.264 -0.643 . . . . 0.62 109.264 -178.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 39.9 m-85 -62.63 165.25 6.6 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.112 -0.949 . . . . 2.32 111.562 172.322 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.02 -45.51 0.53 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 127.917 2.487 . . . . 1.14 110.717 172.59 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.8 p -73.93 -17.49 61.01 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 121.88 -0.513 . . . . 2.18 110.654 162.257 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 52.32 44.01 30.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.298 1.039 . . . . 4.15 111.172 -178.705 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.86 129.41 51.35 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.134 -1.061 . . . . 1.3 108.134 -175.694 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.706 HD21 ' CG1' ' A' ' 22' ' ' VAL . 0.1 OUTLIER -97.26 120.99 38.64 Favored 'General case' 0 CA--C 1.504 -0.812 0 N-CA-C 104.928 -2.249 . . . . 1.41 104.928 164.108 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 t -123.38 128.31 74.69 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.672 0 O-C-N 123.995 0.809 . . . . 0.66 110.874 157.166 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.411 HG21 HG11 ' A' ' 26' ' ' VAL . 76.7 t -120.25 118.94 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 C-N-CA 124.76 1.224 . . . . 0.48 108.035 173.844 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -97.66 119.8 36.89 Favored 'General case' 0 C--O 1.241 0.648 0 N-CA-C 108.263 -1.014 . . . . 3.43 108.263 168.058 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -139.46 140.58 37.33 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.481 1.112 . . . . 0.6 110.043 -170.608 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.51 58.8 4.86 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 121.06 0.457 . . . . 2.07 109.924 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 172.18 177.38 0.08 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 127.355 2.262 . . . . 1.71 108.072 176.177 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -87.23 127.03 35.17 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 108.29 -1.004 . . . . 3.15 108.29 162.138 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.404 HD13 ' CG2' ' A' ' 56' ' ' VAL . 1.5 pp -138.39 21.97 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.272 1.029 . . . . 0.78 110.449 168.272 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -62.92 -45.91 90.27 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.813 1.642 . . . . 3.21 111.381 -167.594 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.76 -32.87 70.99 Favored 'General case' 0 N--CA 1.451 -0.398 0 O-C-N 124.046 0.842 . . . . 0.27 109.921 175.227 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -72.27 -47.6 48.89 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 121.63 -0.668 . . . . 2.36 110.191 -178.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.765 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 53.7 t -65.41 -45.29 93.5 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.092 0 N-CA-C 107.578 -1.267 . . . . 0.41 107.578 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' CG ' HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -48.47 -58.17 5.05 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 118.798 -0.62 . . . . 3.08 110.834 174.566 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -53.69 -47.52 70.38 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.03 0.443 . . . . 0.64 110.049 -178.157 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.43 -53.0 63.2 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.505 0.722 . . . . 0.43 112.24 -179.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.94 -52.15 65.15 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 126.142 1.777 . . . . 2.11 109.447 177.802 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.32 -52.92 61.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.502 -0.925 . . . . 2.21 108.502 -178.424 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -58.5 -43.47 89.08 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.511 0.507 . . . . 3.69 111.165 179.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -53.77 -36.98 62.98 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.48 1.112 . . . . 0.71 110.599 -179.432 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.44 50.39 0.07 OUTLIER Glycine 0 C--N 1.335 0.525 0 N-CA-C 110.383 -1.087 . . . . 0.76 110.383 166.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -130.91 -173.91 3.22 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-O 122.434 1.111 . . . . 2.22 110.239 179.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 64.3 m -144.68 141.64 29.48 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 105.056 -2.202 . . . . 1.85 105.056 164.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.582 HD13 ' CD1' ' A' ' 8' ' ' TRP . 3.2 pp -146.85 165.41 29.82 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 126.811 2.045 . . . . 0.99 105.629 -177.616 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -133.1 122.9 24.77 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 102.132 -3.284 . . . . 3.78 102.132 177.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -49.48 109.76 0.31 Allowed 'General case' 0 N--CA 1.445 -0.683 0 C-N-CA 125.285 1.434 . . . . 3.84 109.011 -178.528 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.76 -178.82 5.86 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 106.155 -1.795 . . . . 2.39 106.155 -178.795 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -58.68 171.84 0.59 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.712 0.768 . . . . 3.8 110.741 168.147 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.73 -64.64 0.82 Allowed 'General case' 0 CA--C 1.532 0.26 0 O-C-N 121.353 -0.842 . . . . 2.26 108.797 170.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.49 164.96 36.55 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 126.026 1.73 . . . . 2.07 107.245 176.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 . . . . . 0 C--O 1.253 1.282 0 CA-C-O 117.152 -1.404 . . . . 6.75 108.893 168.134 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t . . . . . 0 N--CA 1.455 -0.195 0 N-CA-C 107.5 -1.296 . . . . 4.56 107.5 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.15 -147.5 9.24 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 110.552 -1.019 . . . . 1.19 110.552 -176.061 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 99.5 m -139.83 148.38 42.05 Favored 'General case' 0 CA--C 1.511 -0.552 0 O-C-N 121.532 -0.981 . . . . 1.07 109.666 172.778 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.4 ttp180 -107.48 120.93 43.54 Favored 'General case' 0 N--CA 1.432 -1.354 0 CA-C-N 112.701 -2.045 . . . . 3.73 107.934 -171.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.674 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 31.6 m-85 -113.68 123.29 49.55 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 125.686 1.594 . . . . 1.86 112.512 179.767 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.0 t -100.68 149.87 23.33 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.481 1.512 . . . . 2.14 111.461 177.328 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.904 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 1.4 m-90 -141.19 157.18 45.61 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.683 1.593 . . . . 1.05 109.511 167.252 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.54 107.73 18.36 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.818 1.647 . . . . 1.95 107.648 175.552 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.59 121.41 51.34 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-N 119.164 0.893 . . . . 1.43 109.304 -169.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -107.28 99.66 9.18 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 106.599 -1.63 . . . . 0.92 106.599 179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 150.3 -38.93 0.88 Allowed Glycine 0 C--N 1.335 0.52 0 N-CA-C 111.371 -0.692 . . . . 0.73 111.371 176.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 20.3 ptt? -69.88 110.59 5.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 120.272 -0.571 . . . . 1.94 110.676 -178.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -159.26 90.19 0.95 Allowed 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.357 1.063 . . . . 2.83 108.456 166.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -167.36 -89.17 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.639 0.776 . . . . 2.28 110.09 169.012 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -176.35 -59.81 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 125.894 1.678 . . . . 2.26 107.232 -178.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.67 -35.31 41.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.439 -0.801 . . . . 0.88 111.115 172.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.1 m -71.24 -41.15 70.51 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.018 -0.734 . . . . 1.73 109.018 -177.142 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -60.1 -45.45 92.9 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.363 -0.606 . . . . 0.64 109.363 176.316 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.466 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 92.9 mtt180 -59.69 -53.71 54.79 Favored 'General case' 0 N--CA 1.437 -1.121 0 C-N-CA 119.589 -0.844 . . . . 2.84 110.215 175.677 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.1 mmmt -47.42 -44.2 24.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 O-C-N 121.311 -0.868 . . . . 3.67 111.217 178.406 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.07 -60.69 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 118.858 0.754 . . . . 0.63 111.71 173.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.2 pt-20 -62.75 -36.01 81.67 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.383 -0.969 . . . . 1.73 108.383 -170.305 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -70.03 -34.16 72.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 C-N-CA 124.639 1.175 . . . . 0.49 110.339 178.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.617 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -59.98 -26.21 65.85 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.858 0.863 . . . . 0.44 111.813 166.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.547 HG22 HG13 ' A' ' 56' ' ' VAL . 78.6 t -89.87 -40.9 13.34 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 C-N-CA 124.718 1.207 . . . . 1.67 111.236 175.556 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -67.6 -34.41 76.95 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 119.698 -1.877 . . . . 2.54 109.28 -173.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.71 -13.01 19.23 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.818 1.414 . . . . 0.59 114.818 177.678 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.4 mt -66.03 -107.01 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.807 1.185 . . . . 0.63 110.133 179.487 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 177.62 -50.55 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 124.598 1.159 . . . . 0.47 109.02 179.223 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -81.0 -5.0 90.45 Favored Glycine 0 CA--C 1.532 1.098 0 CA-C-N 115.467 -0.788 . . . . 0.52 113.282 -171.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -67.37 144.19 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.598 0.759 . . . . 0.46 109.162 173.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -116.72 -46.08 2.76 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 109.722 -0.474 . . . . 2.72 109.722 173.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.66 162.42 39.75 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.072 -1.084 . . . . 1.44 108.072 -179.012 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -156.13 135.82 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 N-CA-C 107.402 -1.333 . . . . 1.43 107.402 -170.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.413 ' CG ' ' HB ' ' A' ' 45' ' ' VAL . 6.8 pt20 -123.14 104.64 9.31 Favored 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 122.562 1.173 . . . . 2.65 108.085 174.54 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.462 HG12 HD21 ' A' ' 44' ' ' LEU . 1.5 m -94.11 121.94 45.16 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 N-CA-C 105.589 -2.004 . . . . 1.65 105.589 169.219 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.3 tp -128.95 113.14 14.84 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 107.917 -1.142 . . . . 0.5 107.917 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 45.6 m-85 -65.91 164.13 15.63 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 123.889 0.743 . . . . 2.28 111.215 173.382 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 73.66 -40.95 0.48 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 128.432 2.693 . . . . 1.22 111.178 176.068 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 m -73.89 -23.92 59.64 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 123.452 0.701 . . . . 1.08 109.336 162.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 50.98 41.09 26.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.426 1.091 . . . . 4.11 110.027 -175.017 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.0 126.9 51.47 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 103.693 -2.706 . . . . 1.45 103.693 -176.734 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.462 HD21 HG12 ' A' ' 37' ' ' VAL . 0.0 OUTLIER -97.94 135.55 39.5 Favored 'General case' 0 N--CA 1.421 -1.9 0 O-C-N 124.714 1.259 . . . . 1.1 107.672 158.792 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.413 ' HB ' ' CG ' ' A' ' 36' ' ' GLN . 2.4 t -129.75 142.86 42.79 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.787 0 O-C-N 124.425 1.078 . . . . 0.83 110.277 154.058 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -123.05 131.12 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 C-N-CA 125.105 1.362 . . . . 0.44 107.665 171.368 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -110.45 108.51 18.55 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 125.998 1.719 . . . . 2.48 106.986 177.532 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -136.48 138.46 41.44 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.452 -0.944 . . . . 0.5 108.452 -171.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.45 57.38 1.4 Allowed 'General case' 0 CA--C 1.537 0.442 0 N-CA-C 108.479 -0.934 . . . . 2.02 108.479 -179.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -168.05 -40.56 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.673 0.99 . . . . 2.91 113.673 173.752 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 t0 96.61 125.1 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 129.712 3.205 . . . . 3.06 111.062 -173.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.523 HD13 HG23 ' A' ' 56' ' ' VAL . 1.7 pp -149.93 30.46 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 C-N-CA 125.754 1.622 . . . . 0.61 109.664 -179.024 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.0 mtp85 -58.81 -55.46 34.76 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 120.359 -1.463 . . . . 3.37 112.831 -171.449 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.22 -28.61 42.3 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.475 -0.784 . . . . 0.28 109.557 175.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -79.19 -38.86 34.8 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.836 -0.802 . . . . 3.05 108.836 -174.564 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.904 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 66.4 t -68.06 -50.17 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.003 0 N-CA-C 108.026 -1.101 . . . . 0.42 108.026 177.47 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -47.69 -57.54 5.41 Favored 'General case' 0 C--O 1.223 -0.329 0 CA-C-O 118.019 -0.991 . . . . 2.32 109.571 174.98 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 30.7 t -45.85 -42.87 12.95 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.761 0.709 . . . . 0.75 110.684 177.748 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.617 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -64.46 -46.17 84.26 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 123.964 0.906 . . . . 0.51 111.542 -178.795 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.47 HD13 HG12 ' A' ' 56' ' ' VAL . 4.1 mp -70.65 -38.08 73.79 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.049 0.539 . . . . 1.68 110.57 -179.363 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.14 -50.4 73.82 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.928 0.891 . . . . 3.57 108.8 176.309 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 42.7 pttt -64.65 -37.81 88.85 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 118.947 0.794 . . . . 5.17 111.61 175.069 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.51 91.89 Favored 'General case' 0 C--N 1.34 0.157 0 O-C-N 121.977 -0.452 . . . . 0.48 111.174 -178.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 119.0 57.85 0.26 Allowed Glycine 0 CA--C 1.523 0.585 0 C-N-CA 124.318 0.961 . . . . 0.65 110.943 173.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -129.41 176.18 8.17 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.728 0.811 . . . . 2.13 108.946 170.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.4 p -126.06 133.06 51.81 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.123 -1.436 . . . . 2.1 107.123 166.82 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.1 pp -143.51 171.08 14.64 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 125.853 1.661 . . . . 0.83 108.681 176.214 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.9 mtt180 -134.49 116.19 14.82 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 104.724 -2.324 . . . . 3.71 104.724 169.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -46.6 92.52 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 126.276 1.83 . . . . 2.77 113.928 -173.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -68.46 166.81 16.06 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.456 -1.402 . . . . 2.96 111.968 -170.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -41.46 156.09 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.908 -1.496 . . . . 3.99 111.859 161.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.66 -57.94 10.53 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-O 122.089 0.947 . . . . 1.92 109.336 174.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -157.81 -179.14 7.87 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 106.701 -1.592 . . . . 2.41 106.701 175.726 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.515 0 N-CA-C 104.266 -2.494 . . . . 6.73 104.266 161.565 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 106.981 -1.489 . . . . 4.79 106.981 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -78.82 -163.25 24.17 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.039 -1.224 . . . . 1.38 110.039 171.522 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.35 152.74 48.73 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.112 -1.07 . . . . 1.25 108.112 174.724 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -110.68 155.99 21.64 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 124.182 0.926 . . . . 6.05 110.019 170.236 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.631 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 28.4 m-85 -137.84 122.81 19.01 Favored 'General case' 0 N--CA 1.441 -0.923 0 C-N-CA 126.542 1.937 . . . . 2.11 106.909 -178.83 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.8 t -100.28 149.48 23.55 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.563 1.145 . . . . 1.86 108.051 175.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.806 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 2.7 m-90 -134.34 175.03 9.88 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 123.413 0.685 . . . . 1.08 109.424 166.615 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.75 113.98 15.39 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 105.962 -1.866 . . . . 6.14 105.962 167.202 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.9 t -97.32 165.5 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 108.371 -0.974 . . . . 1.03 108.371 175.107 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.4 t -128.89 117.64 21.35 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 108.246 -1.02 . . . . 1.11 108.246 167.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 131.73 -21.76 4.42 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.087 0.851 . . . . 0.86 112.486 172.212 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.4 ptm -67.43 100.6 0.86 Allowed 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.978 -0.719 . . . . 2.49 111.457 -178.743 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -160.5 68.04 0.35 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.274 0.629 . . . . 2.99 110.449 165.629 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.4 t -168.33 150.92 5.36 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 121.302 -0.874 . . . . 2.44 111.779 172.547 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.81 65.09 1.33 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.365 1.066 . . . . 3.15 112.268 -176.313 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.83 -48.91 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 127.05 2.14 . . . . 1.01 107.983 -176.622 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.3 t -63.94 -41.23 97.68 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.027 -1.101 . . . . 3.27 108.027 175.753 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -46.97 -54.48 10.05 Favored 'General case' 0 C--N 1.341 0.234 0 O-C-N 123.595 0.559 . . . . 0.88 110.492 176.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -50.0 70.68 Favored 'General case' 0 N--CA 1.433 -1.277 0 C-N-CA 120.249 -0.581 . . . . 3.16 109.87 178.259 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.99 -41.85 12.35 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.794 0.725 . . . . 2.82 111.807 179.115 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 48.4 t -59.73 -60.79 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.754 0 CA-C-N 118.402 0.547 . . . . 0.62 111.732 174.412 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' O ' HG22 ' A' ' 26' ' ' VAL . 8.8 pt-20 -59.33 -43.18 92.76 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 107.434 -1.321 . . . . 2.2 107.434 -173.323 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -64.07 -36.82 85.26 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 124.1 0.96 . . . . 0.66 109.549 -176.112 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.31 -25.97 37.64 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 118.833 -0.603 . . . . 0.56 112.045 171.551 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 23' ' ' GLU . 2.4 m -97.56 -43.87 12.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 118.775 0.716 . . . . 2.18 112.875 176.772 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -61.53 -27.4 68.58 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.302 -0.874 . . . . 2.61 110.383 -175.225 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -66.45 -13.55 60.94 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.21 0.819 . . . . 0.56 113.21 176.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.503 ' N ' HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -69.95 -114.24 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.014 0.926 . . . . 0.58 109.342 -178.569 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.36 -46.89 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.158 0 C-N-CA 124.365 1.066 . . . . 0.4 108.348 177.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.62 -19.28 79.69 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.404 -0.817 . . . . 0.44 113.265 -174.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.9 t -57.93 139.44 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.006 0.522 . . . . 0.51 111.142 176.035 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -104.83 -56.05 2.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.306 1.842 . . . . 2.08 106.848 -179.023 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.76 177.44 10.09 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.888 0.875 . . . . 2.37 108.664 178.533 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.2 p -153.26 143.62 14.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 124.437 1.095 . . . . 1.52 109.335 -172.515 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -127.45 94.11 3.9 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.423 1.489 . . . . 2.22 109.48 171.893 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.6 t -88.74 105.86 16.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 N-CA-C 106.401 -1.703 . . . . 2.1 106.401 168.556 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.2 tp -110.44 112.49 24.46 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.531 -0.914 . . . . 0.44 108.531 179.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 20.1 m-85 -64.1 167.03 6.92 Favored 'General case' 0 CA--C 1.521 -0.172 0 C-N-CA 123.604 0.762 . . . . 2.23 111.783 170.225 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.71 -33.11 0.26 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 126.614 1.966 . . . . 1.19 112.979 177.262 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -99.07 3.5 46.78 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.062 1.745 . . . . 0.96 110.833 169.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 35.64 37.77 0.04 OUTLIER 'General case' 0 C--O 1.237 0.446 0 C-N-CA 128.096 2.558 . . . . 4.5 113.982 -176.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.13 135.24 44.06 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 106.857 -1.534 . . . . 1.61 106.857 -172.31 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.5 141.12 36.54 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 107.236 -1.394 . . . . 2.04 107.236 161.203 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -124.88 143.46 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 O-C-N 123.952 0.783 . . . . 0.71 109.286 152.239 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.5 t -125.41 133.73 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 N-CA-C 105.336 -2.098 . . . . 0.43 105.336 173.332 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -107.35 115.18 29.72 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 105.407 -2.071 . . . . 3.66 105.407 175.671 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -151.18 135.83 17.14 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 119.819 1.19 . . . . 0.64 111.893 -174.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -84.75 58.08 4.75 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.514 0.673 . . . . 1.99 109.687 -178.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 168.88 152.58 0.03 OUTLIER 'General case' 0 C--O 1.233 0.224 0 C-N-CA 127.321 2.248 . . . . 1.71 107.7 176.777 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -78.48 115.54 18.26 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 107.874 -1.158 . . . . 3.15 107.874 174.162 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 pp -135.04 26.62 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-O 121.365 0.603 . . . . 0.56 109.477 179.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.4 mtm-85 -63.47 -48.24 78.49 Favored 'General case' 0 CA--C 1.509 -0.6 0 O-C-N 121.628 -0.67 . . . . 2.83 111.473 -170.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.94 -28.88 58.92 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 123.801 0.688 . . . . 0.33 110.553 174.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -75.51 -44.88 41.39 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 121.525 -0.734 . . . . 2.79 109.213 -177.318 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.806 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.9 t -67.19 -48.37 78.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 C-N-CA 120.631 -0.428 . . . . 0.45 110.167 178.052 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -51.01 -60.35 3.18 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-O 117.765 -1.112 . . . . 3.06 110.589 173.713 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.3 t -48.76 -48.46 40.9 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 119.71 1.141 . . . . 0.55 110.969 179.411 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.04 -53.37 58.87 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.851 0.46 . . . . 0.41 111.958 177.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.418 HD12 HG12 ' A' ' 56' ' ' VAL . 18.0 mt -61.98 -45.18 94.75 Favored 'General case' 0 CA--C 1.52 -0.175 0 C-N-CA 123.39 0.676 . . . . 1.19 110.84 -178.291 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -52.62 -54.22 36.23 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.721 -0.672 . . . . 2.36 109.263 175.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -59.41 -42.13 91.07 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.639 -0.255 . . . . 4.27 111.438 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.49 -28.71 46.73 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.255 1.022 . . . . 0.53 111.764 176.542 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.8 49.3 0.38 Allowed Glycine 0 C--N 1.336 0.547 0 N-CA-C 111.211 -0.756 . . . . 0.86 111.211 166.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -134.24 -179.23 5.44 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 107.882 -1.155 . . . . 2.42 107.882 171.155 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 62.3 m -128.93 140.79 51.51 Favored 'General case' 0 N--CA 1.444 -0.728 0 N-CA-C 104.115 -2.55 . . . . 2.23 104.115 164.275 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.482 HD22 ' CD1' ' A' ' 8' ' ' TRP . 2.1 pp -127.37 167.53 16.07 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 108.888 -0.782 . . . . 0.83 108.888 171.284 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.32 125.54 51.3 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 103.47 -2.789 . . . . 3.48 103.47 158.365 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -70.13 150.3 46.68 Favored 'General case' 0 N--CA 1.424 -1.764 0 N-CA-C 107.423 -1.325 . . . . 3.05 107.423 166.196 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.66 -176.76 3.78 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 112.544 -2.116 . . . . 2.68 110.793 -169.001 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -68.82 176.88 2.81 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.823 0.82 . . . . 3.69 109.963 174.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.05 -70.02 0.25 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.615 -0.72 . . . . 1.81 109.681 173.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -168.77 162.47 11.57 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 126.265 1.826 . . . . 2.48 106.949 176.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.4 mp0 . . . . . 0 C--O 1.253 1.265 0 CA-C-O 117.573 -1.203 . . . . 5.53 108.724 153.35 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 CA--C 1.535 0.383 0 N-CA-C 111.706 0.261 . . . . 5.49 111.706 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -72.66 -157.39 3.7 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 124.704 1.145 . . . . 1.72 110.467 173.58 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.94 146.05 46.17 Favored 'General case' 0 CA--C 1.516 -0.358 0 N-CA-C 108.232 -1.025 . . . . 0.92 108.232 172.001 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -97.01 144.24 27.09 Favored 'General case' 0 N--CA 1.44 -0.933 0 CA-C-N 113.835 -1.53 . . . . 3.19 107.308 173.081 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.642 ' HE2' ' HB3' ' A' ' 48' ' ' ALA . 14.2 m-85 -125.43 134.9 51.94 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 127.058 2.143 . . . . 2.34 108.494 171.01 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.458 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 8.0 p -116.53 155.2 29.07 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 123.93 0.769 . . . . 2.03 111.068 173.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.815 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.5 OUTLIER -141.08 163.37 33.15 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.211 1.004 . . . . 1.1 109.98 169.169 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -113.84 118.32 33.9 Favored 'General case' 0 C--N 1.344 0.366 0 N-CA-C 106.461 -1.681 . . . . 2.06 106.461 168.465 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 t -101.97 162.85 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 108.621 -0.881 . . . . 1.1 108.621 179.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.34 108.31 6.72 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 108.053 -1.091 . . . . 0.93 108.053 171.503 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.36 -36.96 1.6 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.838 -0.505 . . . . 1.02 111.838 170.809 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -69.9 112.49 6.35 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 122.466 -0.432 . . . . 1.99 110.439 -177.045 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.94 58.27 0.31 Allowed 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 121.734 0.778 . . . . 3.64 110.13 166.49 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.61 131.17 9.71 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.643 1.177 . . . . 2.46 110.535 179.412 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.18 72.32 0.11 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.835 1.254 . . . . 2.8 113.003 -176.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 179.94 -50.5 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 127.529 2.332 . . . . 0.9 107.975 -173.313 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.0 p -72.55 -33.24 66.69 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.147 -0.686 . . . . 2.56 109.147 179.35 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.76 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -52.35 -49.64 63.92 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.775 -0.454 . . . . 0.52 109.775 170.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 61.0 mtp180 -61.7 -50.35 72.83 Favored 'General case' 0 N--CA 1.43 -1.468 0 C-N-CA 119.838 -0.745 . . . . 5.35 109.649 178.593 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -51.14 -44.59 61.42 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.488 1.04 . . . . 4.0 112.162 178.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 39.1 t -56.24 -60.17 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.873 0.869 . . . . 0.85 111.061 173.645 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 13.1 pt-20 -64.56 -38.09 89.8 Favored 'General case' 0 C--O 1.215 -0.727 0 C-N-CA 119.385 -0.926 . . . . 2.39 108.589 -172.233 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -63.54 -35.32 80.1 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 124.258 1.023 . . . . 0.55 109.865 178.225 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' A' ' 59' ' ' ALA . . . -59.56 -23.68 63.09 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.4 0.68 . . . . 0.5 112.46 170.03 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.619 HG22 HG13 ' A' ' 56' ' ' VAL . 57.7 t -92.98 -46.14 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.315 1.446 . . . . 1.69 110.813 176.478 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.0 mtp85 -63.72 -32.97 74.63 Favored 'General case' 0 C--N 1.33 -0.254 0 O-C-N 120.723 -1.236 . . . . 2.91 109.343 -171.557 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -63.84 -15.78 59.71 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 114.547 1.314 . . . . 0.85 114.547 177.709 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mt -61.37 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.344 0.351 0 CA-C-N 120.002 1.274 . . . . 0.67 111.555 -174.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 168.0 -51.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 126.006 1.722 . . . . 0.33 108.694 177.573 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.32 -20.12 79.82 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 115.077 -0.965 . . . . 0.55 113.156 -170.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.1 t -61.49 140.99 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.461 1.104 . . . . 0.58 109.681 177.154 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -99.29 -51.86 3.68 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 107.064 -1.458 . . . . 2.17 107.064 169.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -148.72 161.49 41.66 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 124.331 1.052 . . . . 1.5 108.597 -170.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 p -152.99 139.88 12.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 125.195 1.398 . . . . 1.43 108.203 -173.612 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -135.38 109.21 8.09 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 122.479 1.133 . . . . 2.09 108.989 175.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.437 HG12 ' CD2' ' A' ' 44' ' ' LEU . 1.0 OUTLIER -97.06 125.21 50.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.663 0 C-N-CA 127.725 2.41 . . . . 1.55 106.214 171.655 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.6 tp -126.48 115.27 19.31 Favored 'General case' 0 N--CA 1.449 -0.475 0 N-CA-C 108.234 -1.025 . . . . 0.79 108.234 177.925 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.76 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 14.2 m-85 -62.7 169.36 3.16 Favored 'General case' 0 CA--C 1.515 -0.378 0 C-N-CA 124.047 0.939 . . . . 2.39 112.453 174.19 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 68.57 -38.99 0.4 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.168 1.387 . . . . 1.23 113.649 -177.409 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.7 p -88.19 -4.01 58.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.976 0.91 . . . . 2.07 112.158 171.104 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 41.32 37.97 0.72 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.754 2.022 . . . . 4.66 113.362 179.226 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.55 127.25 53.45 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 106.978 -1.49 . . . . 1.41 106.978 -168.269 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -100.12 136.97 39.21 Favored 'General case' 0 N--CA 1.425 -1.688 0 N-CA-C 108.066 -1.087 . . . . 1.08 108.066 177.656 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.2 t -132.77 136.38 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.78 0 O-C-N 124.724 1.265 . . . . 0.76 110.214 167.39 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 72.5 t -129.05 135.28 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 N-CA-C 106.829 -1.545 . . . . 0.45 106.829 176.803 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -118.79 107.63 13.87 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 124.939 1.295 . . . . 2.22 107.916 179.136 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.642 ' HB3' ' HE2' ' A' ' 6' ' ' TYR . . . -131.08 161.62 31.65 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.282 1.433 . . . . 0.88 109.663 -172.844 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -115.85 56.39 0.77 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 108.155 -1.054 . . . . 1.99 108.155 177.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -175.76 -10.91 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 117.708 2.484 . . . . 2.95 117.708 178.697 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 70.35 107.14 0.06 Allowed 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 121.414 1.915 . . . . 4.29 112.792 -178.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.0 pp -147.75 28.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.351 0 O-C-N 121.653 -0.654 . . . . 0.49 111.344 -172.723 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 28.0 mtm-85 -58.94 -47.24 85.78 Favored 'General case' 0 CA--C 1.512 -0.484 0 O-C-N 121.118 -0.989 . . . . 2.39 111.612 -173.565 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.23 -33.09 68.95 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 123.684 0.615 . . . . 0.32 110.051 176.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -76.87 -37.13 56.1 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.896 -0.409 . . . . 3.04 109.896 -177.199 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.815 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 79.1 t -64.71 -58.12 8.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 108.166 -1.05 . . . . 0.52 108.166 172.634 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -43.82 -58.24 2.84 Favored 'General case' 0 C--O 1.218 -0.581 0 CA-C-O 117.809 -1.091 . . . . 2.34 111.443 178.452 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.6 t -43.96 -41.75 5.51 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 119.208 0.913 . . . . 0.69 111.289 178.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.483 ' HB1' ' HB1' ' A' ' 25' ' ' ALA . . . -72.62 -47.05 50.91 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 121.824 -0.547 . . . . 0.3 110.156 -175.658 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.52 -42.24 98.46 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.354 0.597 . . . . 1.88 111.686 176.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.62 -50.73 71.14 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 108.841 -0.8 . . . . 2.48 108.841 174.934 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -60.79 -43.17 98.46 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.225 0.21 . . . . 4.02 110.993 177.933 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.2 -40.28 85.24 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.877 0.871 . . . . 0.8 110.578 178.712 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 125.94 50.82 0.18 Allowed Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.343 0.973 . . . . 0.74 111.83 169.171 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -136.72 131.1 33.03 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 117.859 0.83 . . . . 2.93 109.955 174.013 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.4 m -87.47 105.96 17.65 Favored 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 107.75 -1.204 . . . . 2.14 107.75 173.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 pp -101.7 178.75 4.54 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.203 0.601 . . . . 0.75 110.521 172.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.4 mtt85 -131.27 131.84 44.16 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 104.011 -2.588 . . . . 5.9 104.011 166.363 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -71.99 124.9 25.92 Favored 'General case' 0 N--CA 1.437 -1.122 0 N-CA-C 106.627 -1.62 . . . . 2.56 106.627 178.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -87.69 178.19 6.82 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 114.572 -1.195 . . . . 2.6 110.439 175.592 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -68.55 176.23 3.03 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.598 -1.183 . . . . 5.36 109.722 173.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.87 -57.59 7.56 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.48 -0.782 . . . . 1.61 109.122 178.599 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -160.4 53.31 0.32 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 107.324 -1.362 . . . . 2.39 107.324 176.51 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 C--O 1.25 1.101 0 N-CA-C 107.541 -1.281 . . . . 6.14 107.541 -141.877 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 CA--C 1.54 0.596 0 CA-C-O 119.382 -0.342 . . . . 5.45 110.264 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 39.31 -155.35 0.03 OUTLIER Glycine 0 C--N 1.341 0.824 0 C-N-CA 127.784 2.611 . . . . 1.33 115.984 176.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.8 m -141.04 134.56 29.96 Favored 'General case' 0 CA--C 1.511 -0.527 0 N-CA-C 107.849 -1.167 . . . . 0.86 107.849 167.345 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -96.85 118.89 34.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 O-C-N 124.676 1.235 . . . . 3.4 108.776 -176.346 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.71 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 8.6 m-85 -99.1 134.24 42.23 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 113.657 -1.611 . . . . 1.92 113.018 170.101 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.8 m -106.67 148.09 28.78 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.179 1.392 . . . . 2.02 109.232 171.054 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.828 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.6 OUTLIER -136.31 164.9 27.02 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 124.184 0.994 . . . . 1.09 109.826 166.294 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -122.65 102.43 8.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 126.426 1.89 . . . . 3.18 107.883 -178.105 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 11' ' ' SER . 1.8 t -96.64 177.07 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 121.621 0.724 . . . . 1.28 110.198 -174.755 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.462 ' H ' HG12 ' A' ' 10' ' ' VAL . 4.0 m -156.67 102.11 2.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.623 1.569 . . . . 1.39 107.11 173.507 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.62 -32.85 1.1 Allowed Glycine 0 CA--C 1.533 1.198 0 CA-C-N 118.054 0.388 . . . . 0.75 112.826 179.681 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.67 75.45 0.18 Allowed 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.405 0.682 . . . . 2.44 112.234 179.545 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 9.4 m-20 -120.64 61.47 0.88 Allowed 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 121.524 0.678 . . . . 4.38 111.848 177.753 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -173.75 155.06 2.57 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 122.035 -0.415 . . . . 2.27 110.724 166.042 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.43 38.58 0.15 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.566 1.546 . . . . 2.39 112.889 -175.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.97 -51.98 0.13 Allowed 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 127.473 2.309 . . . . 1.22 108.616 -172.674 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 49.3 m -60.12 -36.57 77.77 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 107.793 -1.188 . . . . 1.98 107.793 171.324 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.43 -35.38 52.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.571 -0.74 . . . . 0.86 111.944 172.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -74.29 -47.82 32.44 Favored 'General case' 0 N--CA 1.442 -0.871 0 O-C-N 121.075 -1.015 . . . . 3.7 108.914 175.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -49.56 -37.03 25.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.645 -0.66 . . . . 2.79 111.331 -179.875 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.3 t -55.71 -55.88 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 124.483 1.113 . . . . 0.68 111.984 170.893 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' O ' HG22 ' A' ' 26' ' ' VAL . 7.0 pt-20 -66.18 -43.54 86.58 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.226 0.921 . . . . 1.85 108.6 -176.647 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -65.77 -30.83 71.54 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 121.176 -0.953 . . . . 0.63 110.384 -176.6 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.83 -22.25 35.09 Favored 'General case' 0 C--N 1.339 0.142 0 CA-C-O 118.334 -0.841 . . . . 0.48 112.058 170.323 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.638 HG12 HG13 ' A' ' 56' ' ' VAL . 5.9 m -106.95 -38.49 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 119.071 0.851 . . . . 1.83 113.187 177.548 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.9 mtm180 -59.31 -24.5 63.36 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 120.92 -1.113 . . . . 2.67 111.11 178.712 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -68.41 -13.07 62.03 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.505 0.928 . . . . 0.53 113.505 176.485 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -114.89 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.731 1.212 . . . . 0.73 109.337 -178.49 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.78 -49.22 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 125.286 1.435 . . . . 0.3 108.454 -179.674 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.56 -18.09 79.95 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-N 115.659 -0.701 . . . . 0.38 113.115 -174.692 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.9 t -58.61 130.64 22.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.812 0.845 . . . . 0.45 110.814 176.297 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.58 -62.67 1.21 Allowed 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.151 1.38 . . . . 2.12 108.574 178.384 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -143.83 109.12 5.05 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.878 -1.156 . . . . 1.33 107.878 -165.282 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -102.53 138.83 25.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 123.628 0.771 . . . . 1.35 109.32 178.723 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.53 111.36 8.79 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.238 1.018 . . . . 1.65 109.338 168.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -92.04 123.25 44.09 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 127.818 2.447 . . . . 1.83 104.511 170.573 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 tp -106.43 87.45 2.55 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 105.088 -2.19 . . . . 0.56 105.088 172.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.444 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 1.6 t80 -69.61 80.52 0.42 Allowed 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.138 -1.06 . . . . 3.34 108.138 170.787 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -167.13 -56.09 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.022 2.129 . . . . 1.77 106.7 166.662 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -97.0 38.39 1.24 Allowed 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.832 1.253 . . . . 1.49 110.885 -177.743 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 36.16 27.35 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 128.742 2.817 . . . . 5.12 116.651 175.641 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 tmmm? -114.28 139.62 49.27 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 107.61 -1.256 . . . . 2.21 107.61 -166.179 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.75 143.59 33.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.378 -0.971 . . . . 1.82 108.378 167.396 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.4 t -126.51 139.55 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 O-C-N 123.929 0.768 . . . . 0.71 111.258 156.214 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 88.2 t -132.52 119.54 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 C-N-CA 125.688 1.595 . . . . 0.4 107.676 174.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -96.01 125.42 40.54 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 106.472 -1.677 . . . . 4.07 106.472 169.296 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.14 146.2 32.61 Favored 'General case' 0 C--O 1.233 0.19 0 C-N-CA 123.129 0.571 . . . . 0.54 110.628 -177.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -86.28 58.35 5.0 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.958 -0.756 . . . . 2.38 108.958 177.394 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 159.68 160.17 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.219 1.808 . . . . 1.68 110.852 175.629 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.94 105.4 4.42 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.484 1.514 . . . . 4.13 110.57 172.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.05 25.02 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 123.284 0.634 . . . . 0.6 111.799 175.321 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -62.4 -43.46 98.78 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.924 -1.11 . . . . 3.75 111.179 -174.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.33 -32.91 72.79 Favored 'General case' 0 N--CA 1.452 -0.37 0 O-C-N 123.65 0.594 . . . . 0.27 109.7 174.569 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.79 -46.06 69.7 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.856 -0.794 . . . . 2.79 108.856 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.828 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 55.6 t -65.55 -52.02 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 N-CA-C 108.865 -0.791 . . . . 0.41 108.865 -178.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -44.12 -61.98 1.3 Allowed 'General case' 0 C--O 1.217 -0.643 0 CA-C-O 117.103 -1.427 . . . . 3.18 110.683 171.605 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -46.88 -46.44 21.12 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 120.05 1.295 . . . . 0.59 111.063 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.75 -51.92 67.71 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.496 0.554 . . . . 0.34 112.496 177.468 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.623 HD12 HG12 ' A' ' 56' ' ' VAL . 3.5 mt -65.22 -41.76 94.1 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 123.698 0.799 . . . . 1.08 111.411 -178.563 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.0 -54.68 18.45 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.205 1.002 . . . . 2.89 108.674 171.484 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -61.76 -47.53 84.79 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 120.414 0.149 . . . . 3.94 110.817 179.177 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.15 -33.44 67.42 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.041 0.937 . . . . 0.44 110.973 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.71 45.39 0.38 Allowed Glycine 0 CA--C 1.524 0.597 0 C-N-CA 124.318 0.961 . . . . 0.53 111.581 165.631 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -137.17 129.26 29.35 Favored 'General case' 0 C--N 1.338 0.109 0 CA-C-N 117.876 0.838 . . . . 1.98 109.247 177.249 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.1 p -84.39 120.08 25.86 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 107.786 -1.19 . . . . 1.62 107.786 177.138 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.441 HD13 ' HD1' ' A' ' 8' ' ' TRP . 3.4 pp -121.16 175.15 6.25 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.93 0.892 . . . . 0.86 109.93 171.472 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.5 mtt180 -130.5 155.93 45.64 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 106.288 -1.745 . . . . 3.38 106.288 161.341 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -84.39 92.26 7.99 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 124.95 1.3 . . . . 2.68 110.944 -174.88 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.77 167.34 7.6 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 121.756 -0.59 . . . . 2.28 111.874 -173.141 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -42.87 133.37 3.64 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 124.073 0.949 . . . . 4.23 109.405 160.087 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.95 -74.78 0.07 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.448 0.299 . . . . 1.69 110.293 176.598 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -165.6 121.13 1.31 Allowed 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 106.935 -1.506 . . . . 3.49 106.935 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 124.845 1.258 . . . . 8.12 111.25 -170.938 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 106.015 -1.846 . . . . 4.95 106.015 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -156.2 -161.95 11.06 Favored Glycine 0 C--N 1.336 0.575 0 N-CA-C 109.798 -1.321 . . . . 1.16 109.798 -178.006 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.7 m -142.34 150.16 40.39 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 118.351 1.076 . . . . 0.88 111.953 -176.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.419 ' HG3' HG13 ' A' ' 45' ' ' VAL . 25.3 ttm180 -99.03 120.41 39.42 Favored 'General case' 0 N--CA 1.438 -1.03 0 C-N-CA 126.442 1.897 . . . . 3.44 109.468 -177.507 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CD1' ' HD2' ' A' ' 53' ' ' ARG . 22.5 m-85 -118.61 123.83 45.96 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 114.106 1.15 . . . . 2.42 114.106 173.656 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.8 m -99.12 157.29 16.46 Favored 'General case' 0 C--O 1.238 0.489 0 N-CA-C 112.551 0.574 . . . . 1.82 112.551 -178.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.684 ' CD1' HD23 ' A' ' 67' ' ' LEU . 19.8 m-90 -138.69 157.04 46.85 Favored 'General case' 0 CA--C 1.517 -0.289 0 C-N-CA 125.249 1.42 . . . . 2.6 110.165 167.055 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -113.85 94.83 5.01 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 104.669 -2.345 . . . . 2.53 104.669 -179.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.606 HG21 HD23 ' A' ' 44' ' ' LEU . 12.1 t -95.93 155.28 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 108.44 -0.948 . . . . 0.97 108.44 -166.812 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 t -140.67 99.98 3.75 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 107.157 -1.423 . . . . 1.08 107.157 179.053 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.64 -12.26 1.52 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 125.825 1.679 . . . . 1.15 114.389 179.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.1 ptt? -102.61 102.52 12.75 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 120.088 1.944 . . . . 2.01 110.656 -179.28 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -138.92 3.52 2.23 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.042 -1.036 . . . . 4.43 113.609 -177.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.7 t -109.85 -90.87 0.46 Allowed 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.247 1.019 . . . . 2.22 112.466 -165.765 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -175.78 -62.8 0.01 OUTLIER 'General case' 0 C--N 1.342 0.28 0 C-N-CA 124.559 1.143 . . . . 2.13 109.439 -177.415 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -54.11 -34.45 60.3 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 121.896 -0.503 . . . . 0.89 111.279 177.012 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.4 p -69.51 -36.51 76.51 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 125.45 1.5 . . . . 2.88 109.587 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.596 ' HB2' ' CZ ' ' A' ' 39' ' ' PHE . . . -65.13 -43.13 92.95 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.549 -0.908 . . . . 0.5 108.549 177.201 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 67.7 mtt180 -60.21 -50.31 74.17 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 119.515 -0.874 . . . . 3.16 109.636 173.613 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -51.22 -42.15 60.76 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 121.216 -0.927 . . . . 3.5 112.127 177.397 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 37.8 t -57.45 -62.29 0.98 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.21 0 CA-C-N 120.142 1.337 . . . . 0.61 109.952 172.718 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 17.1 pt-20 -62.01 -45.04 95.35 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 107.134 -1.432 . . . . 1.95 107.134 -165.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -61.63 -43.35 99.03 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.887 0.875 . . . . 0.63 110.359 178.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.97 -25.26 66.72 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 118.672 0.669 . . . . 0.74 112.325 173.677 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.612 HG12 HG11 ' A' ' 32' ' ' VAL . 84.2 t -83.49 -37.94 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 C-N-CA 123.936 0.894 . . . . 1.75 110.111 172.644 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -70.34 -37.11 74.59 Favored 'General case' 0 C--O 1.227 -0.085 0 O-C-N 120.257 -1.527 . . . . 2.69 110.321 -174.115 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -58.77 -18.73 34.44 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.328 0.862 . . . . 0.68 113.328 -175.759 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.12 -89.22 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.869 0.868 . . . . 1.09 111.779 -174.795 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 159.98 -54.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 128.576 2.75 . . . . 0.52 108.332 -178.048 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.07 -3.43 89.51 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 115.584 -0.734 . . . . 0.82 114.227 -168.291 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.612 HG11 HG12 ' A' ' 26' ' ' VAL . 77.7 t -79.24 143.45 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 107.917 -1.142 . . . . 0.4 107.917 176.3 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -110.39 -48.4 3.17 Favored 'General case' 0 C--N 1.338 0.101 0 N-CA-C 109.271 -0.64 . . . . 3.34 109.271 168.788 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -139.47 158.32 44.33 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.838 0.855 . . . . 1.87 108.694 -176.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.9 p -143.38 136.43 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.611 0 C-N-CA 124.779 1.231 . . . . 1.76 108.616 -179.832 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -112.64 91.54 3.69 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 127.202 2.201 . . . . 1.93 108.778 171.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.4 m -90.53 114.93 28.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 105.563 -2.014 . . . . 1.71 105.563 169.287 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.1 tp -125.63 112.18 15.85 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 121.563 -0.71 . . . . 0.45 109.243 179.214 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CZ ' ' HB2' ' A' ' 19' ' ' ALA . 22.9 m-85 -60.0 167.71 2.17 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.029 0.932 . . . . 2.17 112.238 170.435 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 71.85 -55.28 0.67 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 126.917 2.087 . . . . 1.22 111.374 175.433 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m -62.53 -34.13 76.29 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.539 -0.912 . . . . 1.15 108.539 160.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 59.2 45.27 14.54 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.466 1.506 . . . . 4.81 109.193 -176.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.25 139.38 34.99 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 113.231 -1.804 . . . . 1.37 108.505 -177.182 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.606 HD23 HG21 ' A' ' 10' ' ' VAL 0.258 0.4 OUTLIER -96.98 143.87 27.43 Favored 'General case' 0 CA--C 1.491 -1.301 0 N-CA-C 106.251 -1.759 . . . . 1.69 106.251 160.688 . . . . . . . . 4 4 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.419 HG13 ' HG3' ' A' ' 5' ' ' ARG . 1.1 t -138.39 133.62 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.951 0 N-CA-C 106.642 -1.614 . . . . 0.78 106.642 149.073 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.53 HG23 HD12 ' A' ' 44' ' ' LEU . 22.7 t -118.51 110.42 30.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 126.504 1.922 . . . . 1.03 108.071 179.198 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -98.61 104.63 16.68 Favored 'General case' 0 C--O 1.238 0.488 0 N-CA-C 106.115 -1.809 . . . . 2.47 106.115 178.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -137.32 138.03 39.56 Favored 'General case' 0 C--O 1.232 0.174 0 C-N-CA 124.741 1.216 . . . . 0.52 110.57 -166.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -87.97 55.63 3.54 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 121.91 -0.494 . . . . 3.04 111.048 -170.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 154.75 152.28 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 126.144 1.777 . . . . 1.77 107.564 -166.233 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -74.24 121.2 20.89 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 108.295 -1.002 . . . . 3.19 108.295 163.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 pp -134.06 19.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 124.544 1.138 . . . . 0.81 108.641 167.578 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.62 ' HB3' ' CH2' ' A' ' 8' ' ' TRP . 28.0 mtp180 -65.65 -46.39 79.36 Favored 'General case' 0 CA--C 1.505 -0.771 0 O-C-N 120.393 -1.442 . . . . 3.93 111.535 -161.02 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -46.61 -29.04 1.64 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 124.214 1.005 . . . . 0.53 110.14 174.562 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -74.99 -48.28 24.99 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 108.476 -0.935 . . . . 3.09 108.476 -178.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.5 t -58.01 -55.6 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 123.187 0.595 . . . . 0.57 109.956 174.182 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -50.07 -53.95 23.64 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.736 1.214 . . . . 3.23 110.405 177.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.3 t -55.85 -48.74 74.98 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 119.653 1.115 . . . . 0.83 109.801 176.645 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.98 -47.14 68.43 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 123.036 0.534 . . . . 0.26 112.004 179.25 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 59.8 mt -66.37 -46.78 75.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.884 1.273 . . . . 1.14 108.743 -178.135 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -48.72 -51.92 26.27 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 114.944 -1.025 . . . . 2.44 111.281 172.418 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -67.76 -41.96 82.53 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 121.979 -0.451 . . . . 8.01 111.333 179.374 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -57.59 -40.73 79.69 Favored 'General case' 0 CA--C 1.527 0.062 0 C-N-CA 123.942 0.897 . . . . 0.61 110.643 -178.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 132.98 50.89 0.09 OUTLIER Glycine 0 CA--C 1.521 0.436 0 N-CA-C 111.252 -0.739 . . . . 0.83 111.252 169.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -132.55 -179.25 5.33 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 108.681 -0.859 . . . . 2.32 108.681 171.449 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.9 p -142.43 135.24 28.29 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 105.001 -2.222 . . . . 1.63 105.001 172.101 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.684 HD23 ' CD1' ' A' ' 8' ' ' TRP . 0.0 OUTLIER -151.08 169.24 22.32 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.283 1.433 . . . . 2.88 107.217 179.231 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -141.55 116.87 10.11 Favored 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 102.811 -3.033 . . . . 3.38 102.811 -174.135 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -28.01 102.37 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.843 1.657 . . . . 3.33 113.332 174.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -80.18 179.02 7.86 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 107.971 -1.122 . . . . 3.73 107.971 176.014 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -64.7 166.91 8.05 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 121.62 0.724 . . . . 4.19 110.349 167.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.87 -59.59 5.18 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 108.317 -0.994 . . . . 2.22 108.317 171.777 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -140.62 155.37 46.56 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 126.506 1.923 . . . . 2.43 105.873 167.081 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 117.009 -1.472 . . . . 8.2 108.512 166.077 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.45 -0.447 0 N-CA-C 106.304 -1.739 . . . . 5.33 106.304 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.01 105.16 2.56 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 108.185 -1.966 . . . . 1.49 108.185 -177.535 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.62 146.73 40.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 107.326 -1.361 . . . . 1.71 107.326 -177.241 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.7 ttm105 -108.78 139.64 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 123.632 0.773 . . . . 4.08 110.335 -177.404 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.696 ' HB3' ' CZ3' ' A' ' 8' ' ' TRP . 14.9 m-85 -129.29 130.11 45.76 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.612 1.165 . . . . 1.81 111.158 176.545 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -100.28 145.83 27.64 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.98 1.712 . . . . 2.17 110.197 175.155 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.898 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -139.85 162.11 35.96 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.003 0.921 . . . . 1.06 110.688 163.076 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -113.03 94.66 5.0 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 126.164 1.786 . . . . 2.07 107.923 -173.509 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.524 HG21 HD23 ' A' ' 44' ' ' LEU . 3.1 t -96.93 124.58 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 118.777 0.717 . . . . 1.34 110.019 -167.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 m -117.17 108.81 16.13 Favored 'General case' 0 N--CA 1.451 -0.412 0 N-CA-C 106.648 -1.612 . . . . 1.48 106.648 170.345 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 145.42 -29.25 1.77 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.902 -0.879 . . . . 1.14 110.902 172.482 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.21 81.09 0.72 Allowed 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.045 -0.724 . . . . 5.57 109.045 174.626 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.431 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 10.4 m-20 -141.32 69.06 1.33 Allowed 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 123.475 0.484 . . . . 5.19 110.144 -176.25 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.5 t -150.06 -95.83 0.07 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.438 0.295 . . . . 2.54 110.315 172.331 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.68 -66.96 0.03 OUTLIER 'General case' 0 C--O 1.226 -0.167 0 C-N-CA 124.236 1.014 . . . . 2.03 108.856 178.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.08 -19.21 61.16 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.543 -0.723 . . . . 1.16 112.103 174.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.4 m -68.74 -25.89 64.97 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.539 1.136 . . . . 2.06 109.186 175.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.67 -49.46 73.12 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.599 -0.519 . . . . 0.61 109.599 171.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 75.5 mtt180 -58.46 -42.46 87.52 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 120.124 -0.631 . . . . 2.59 110.458 176.667 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -45.32 -44.06 11.29 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 119.447 1.021 . . . . 3.14 112.093 173.259 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.459 ' CG1' HD21 ' A' ' 44' ' ' LEU . 81.0 t -61.75 -60.65 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-N 119.585 1.084 . . . . 0.87 110.81 177.104 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.449 ' HG2' ' HA ' ' A' ' 20' ' ' ARG . 11.6 pt-20 -61.11 -38.46 86.4 Favored 'General case' 0 C--O 1.215 -0.752 0 N-CA-C 106.871 -1.529 . . . . 2.06 106.871 -168.392 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -70.17 -38.88 75.52 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 121.212 -0.93 . . . . 0.59 110.616 -179.03 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.61 -25.6 27.46 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 123.996 0.918 . . . . 0.41 112.058 172.288 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.503 HG12 HG13 ' A' ' 56' ' ' VAL . 6.3 m -103.91 -37.4 4.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 113.296 0.85 . . . . 1.88 113.296 177.886 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.06 -28.95 63.02 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 120.942 -1.099 . . . . 2.39 109.998 178.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -68.22 -13.07 61.97 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.758 1.022 . . . . 0.53 113.758 177.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.25 -115.5 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.051 0.941 . . . . 0.68 109.279 -178.712 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -176.38 -48.09 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 124.627 1.171 . . . . 0.42 108.394 -179.281 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.62 -22.57 77.02 Favored Glycine 0 CA--C 1.529 0.906 0 CA-C-N 115.799 -0.637 . . . . 0.54 113.021 -174.652 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.1 t -50.23 139.43 5.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 124.584 1.154 . . . . 0.72 111.949 174.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -123.57 -60.8 1.44 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.849 0.859 . . . . 3.51 112.152 172.803 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -138.24 76.96 1.6 Allowed 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.147 1.339 . . . . 2.44 111.924 -162.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.442 HG21 ' CG2' ' A' ' 26' ' ' VAL . 77.6 t -82.37 145.67 8.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 124.621 1.168 . . . . 2.76 109.38 -171.803 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.65 103.19 4.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 122.245 1.021 . . . . 2.0 109.676 175.373 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 23.5 t -92.6 106.03 17.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 126.336 1.854 . . . . 1.98 107.733 178.198 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.9 tp -99.86 75.87 1.92 Allowed 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 122.755 1.264 . . . . 0.55 107.606 178.098 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' CE1' ' HA ' ' A' ' 14' ' ' ASP . 2.4 t80 -60.23 103.71 0.25 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 114.084 -1.416 . . . . 3.31 107.383 163.535 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 142.8 -29.49 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 129.19 2.996 . . . . 1.74 110.019 -177.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.4 m -124.19 38.25 4.23 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 109.368 -0.604 . . . . 1.44 109.368 177.276 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 35.75 27.94 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 128.556 2.742 . . . . 5.77 115.003 179.248 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.44 124.31 51.52 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.547 -0.909 . . . . 1.41 108.547 -163.741 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.524 HD23 HG21 ' A' ' 10' ' ' VAL . 0.1 OUTLIER -97.3 123.65 41.18 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 104.532 -2.396 . . . . 1.49 104.532 165.854 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.2 t -126.71 133.24 69.01 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.545 0 CA-C-N 118.837 0.744 . . . . 0.66 111.012 159.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.0 t -125.83 117.96 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 N-CA-C 106.832 -1.544 . . . . 0.37 106.832 177.482 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.93 118.83 36.58 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 106.648 -1.612 . . . . 2.3 106.648 171.076 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -144.53 144.26 31.24 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.528 1.931 . . . . 0.51 111.568 -170.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.32 56.76 3.48 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.17 0.988 . . . . 2.11 109.882 178.734 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 170.0 168.4 0.06 Allowed 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 127.486 2.314 . . . . 1.73 106.896 175.824 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -84.45 130.54 34.76 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 119.87 1.214 . . . . 3.38 108.921 164.17 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.404 HD13 HG23 ' A' ' 56' ' ' VAL . 1.3 pp -139.89 29.97 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 O-C-N 123.578 0.549 . . . . 0.61 109.591 171.294 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.9 mtm-85 -64.98 -49.48 70.1 Favored 'General case' 0 CA--C 1.516 -0.361 0 O-C-N 120.679 -1.263 . . . . 2.84 111.342 -167.804 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.54 -32.77 69.18 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 123.817 0.698 . . . . 0.5 110.188 173.161 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.9 -46.45 68.3 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 119.871 -0.732 . . . . 3.54 109.643 -178.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.898 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 42.5 t -66.49 -52.35 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.05 0 N-CA-C 107.884 -1.154 . . . . 0.36 107.884 -178.467 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.545 ' CG ' HD11 ' A' ' 67' ' ' LEU . 5.1 tm-20 -46.98 -56.47 6.35 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 118.264 -0.874 . . . . 2.84 111.704 176.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 34.8 t -47.9 -42.63 27.42 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.816 0.735 . . . . 0.66 111.138 177.457 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.34 -45.15 66.72 Favored 'General case' 0 N--CA 1.448 -0.532 0 O-C-N 121.42 -0.8 . . . . 0.46 110.558 -176.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.426 HD13 HG12 ' A' ' 56' ' ' VAL . 6.3 mp -64.25 -42.77 96.36 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.368 0.604 . . . . 1.69 110.417 179.046 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.01 -49.73 75.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.816 -0.629 . . . . 2.19 109.686 175.732 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -63.09 -37.85 88.83 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.45 -0.157 . . . . 4.88 111.418 178.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.3 -39.07 85.65 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 123.842 0.857 . . . . 0.53 110.183 176.44 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.41 41.97 0.28 Allowed Glycine 0 CA--C 1.523 0.567 0 C-N-CA 124.363 0.983 . . . . 0.6 111.624 168.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -116.63 166.56 11.97 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 117.585 0.692 . . . . 2.19 110.054 174.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -118.81 131.41 56.09 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 105.438 -2.06 . . . . 1.34 105.438 171.132 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.545 HD11 ' CG ' ' A' ' 57' ' ' GLU . 3.0 pp -142.27 170.99 14.68 Favored 'General case' 0 N--CA 1.443 -0.818 0 O-C-N 124.232 0.958 . . . . 0.81 108.623 175.337 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -134.91 126.55 28.93 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 104.02 -2.585 . . . . 3.7 104.02 175.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -52.83 114.39 1.4 Allowed 'General case' 0 N--CA 1.445 -0.685 0 C-N-CA 124.124 0.97 . . . . 3.02 108.429 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.457 ' HB2' ' HA ' ' A' ' 8' ' ' TRP . 0.1 OUTLIER -95.24 167.11 11.56 Favored 'General case' 0 N--CA 1.439 -0.999 0 CA-C-N 114.773 -1.103 . . . . 2.41 108.692 -179.106 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -49.18 156.45 0.56 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.854 -1.066 . . . . 3.84 110.901 169.248 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.42 -57.15 14.2 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.819 0.818 . . . . 1.79 109.342 173.049 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -156.97 164.38 38.08 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 126.708 2.003 . . . . 2.18 105.807 168.057 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.207 -1.377 . . . . 6.56 108.599 166.996 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 106.089 -1.819 . . . . 4.69 106.089 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.4 156.52 11.7 Favored Glycine 0 C--N 1.334 0.462 0 N-CA-C 111.24 -0.744 . . . . 1.47 111.24 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.29 155.89 16.98 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 107.696 -1.224 . . . . 1.01 107.696 -178.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -99.24 141.49 31.94 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 114.883 -1.053 . . . . 3.93 109.332 178.45 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.66 ' HB3' ' HZ3' ' A' ' 8' ' ' TRP . 13.0 m-85 -124.16 123.8 41.08 Favored 'General case' 0 CA--C 1.514 -0.433 0 C-N-CA 125.966 1.706 . . . . 1.96 108.94 171.841 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.475 ' C ' ' CE3' ' A' ' 8' ' ' TRP . 11.2 t -99.57 158.48 15.72 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 123.913 0.758 . . . . 2.04 109.144 169.652 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.777 ' HZ2' HG11 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -134.76 167.4 20.93 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 126.65 1.98 . . . . 1.06 107.158 163.33 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -112.01 127.82 56.0 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 105.488 -2.042 . . . . 1.93 105.488 161.456 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.58 164.45 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 124.732 1.213 . . . . 1.09 109.834 -179.675 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -145.45 115.73 7.52 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.187 -1.042 . . . . 1.39 108.187 164.507 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.96 -37.98 1.07 Allowed Glycine 0 CA--C 1.528 0.865 0 O-C-N 123.524 0.515 . . . . 0.8 112.429 169.266 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.2 ptt? -68.52 -25.05 64.75 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 116.707 2.114 . . . . 3.31 116.707 -162.051 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -51.34 77.66 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.418 1.887 . . . . 2.9 115.406 -165.318 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.7 m -143.51 -96.99 0.11 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.954 1.701 . . . . 2.29 110.531 176.358 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.86 -68.13 0.03 OUTLIER 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.701 1.2 . . . . 2.04 109.185 -178.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.23 -31.63 44.23 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.591 0.757 . . . . 0.87 112.086 177.153 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.3 m -68.73 -33.87 74.65 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 108.914 -0.773 . . . . 1.79 108.914 -178.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.35 -44.71 84.56 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.752 -0.833 . . . . 0.72 108.752 175.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.452 ' HA ' ' HG2' ' A' ' 23' ' ' GLU . 2.3 mpt_? -58.75 -53.13 61.86 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 109.702 -0.481 . . . . 4.28 109.702 175.479 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -46.17 -47.07 17.69 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 120.345 -0.542 . . . . 3.38 111.666 177.231 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.559 HG11 HD21 ' A' ' 44' ' ' LEU . 99.5 t -62.55 -58.22 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.613 0 CA-C-N 118.656 0.662 . . . . 0.59 112.571 176.464 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.479 ' O ' HG22 ' A' ' 26' ' ' VAL . 16.2 pt-20 -59.56 -41.46 90.23 Favored 'General case' 0 C--O 1.224 -0.28 0 N-CA-C 107.757 -1.201 . . . . 2.25 107.757 -171.734 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -63.88 -38.83 92.55 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.081 -1.012 . . . . 0.77 110.813 176.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.2 -28.74 19.5 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 123.705 0.802 . . . . 0.55 111.976 173.039 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 23' ' ' GLU . 8.6 m -98.55 -41.12 9.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 112.432 0.53 . . . . 2.05 112.432 178.5 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 70.1 mtp85 -59.73 -29.95 68.49 Favored 'General case' 0 N--CA 1.462 0.136 0 O-C-N 121.692 -0.63 . . . . 3.68 110.131 -177.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -67.53 -14.09 62.63 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 113.891 1.071 . . . . 0.58 113.891 179.051 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.6 mt -69.62 -116.07 0.0 OUTLIER 'General case' 0 C--N 1.343 0.306 0 CA-C-N 118.999 0.818 . . . . 0.84 110.441 178.391 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -175.1 -49.32 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.177 0 N-CA-C 109.109 -0.7 . . . . 0.36 109.109 -177.149 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.35 -14.66 75.97 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 115.652 -0.704 . . . . 0.44 113.017 -175.368 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.7 t -61.31 132.74 27.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.952 0.901 . . . . 0.42 109.074 169.224 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -111.19 -61.2 1.73 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.908 -1.145 . . . . 2.28 107.908 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -119.3 159.8 23.43 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.983 1.713 . . . . 3.03 107.499 -176.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 4.8 p -148.33 138.87 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 124.402 1.081 . . . . 1.6 108.651 -178.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -126.27 95.12 4.27 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.337 1.455 . . . . 1.88 108.796 174.433 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.433 HG22 HD21 ' A' ' 44' ' ' LEU . 18.3 t -92.92 103.47 14.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 107.006 -1.479 . . . . 2.04 107.006 169.141 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.4 tp -113.52 103.9 11.72 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 107.66 -1.237 . . . . 0.51 107.66 178.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -60.53 163.6 5.2 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.712 0.405 . . . . 2.93 111.595 175.482 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . 76.45 -43.15 0.45 Allowed 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 127.556 2.342 . . . . 1.27 110.875 173.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.1 m -67.8 -30.05 69.37 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.209 0.603 . . . . 1.17 109.434 162.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 50.72 33.99 9.25 Favored 'General case' 0 C--N 1.344 0.338 0 C-N-CA 124.963 1.305 . . . . 4.17 111.703 -173.361 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -88.35 137.54 32.24 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.384 -2.08 . . . . 1.51 105.384 169.522 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.559 HD21 HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -116.45 116.53 27.84 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 117.601 -1.19 . . . . 1.13 108.555 168.172 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.91 138.55 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.578 0 O-C-N 123.985 0.803 . . . . 0.68 110.517 170.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 81.1 t -128.67 126.37 65.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 C-N-CA 125.789 1.636 . . . . 0.47 106.886 172.245 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -110.68 108.49 18.4 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 106.076 -1.824 . . . . 2.25 106.076 -177.547 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -140.99 140.42 34.35 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.737 1.215 . . . . 0.52 112.545 -161.07 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.59 63.53 4.76 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.873 0.869 . . . . 2.21 109.529 176.103 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 161.03 160.08 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 129.595 3.158 . . . . 1.79 106.98 173.596 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -82.93 124.28 30.21 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 124.731 1.213 . . . . 4.03 109.659 175.31 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.4 pp -145.2 25.04 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-N 118.806 0.73 . . . . 0.52 111.606 -178.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -59.4 -46.41 88.77 Favored 'General case' 0 CA--C 1.511 -0.557 0 O-C-N 121.264 -0.897 . . . . 2.36 111.281 -174.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.59 -32.57 70.5 Favored 'General case' 0 N--CA 1.449 -0.479 0 O-C-N 123.974 0.796 . . . . 0.33 109.848 177.064 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -49.2 61.32 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 108.815 -0.809 . . . . 3.0 108.815 179.569 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.777 HG11 ' HZ2' ' A' ' 8' ' ' TRP . 86.3 t -66.31 -48.2 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.867 0 N-CA-C 108.711 -0.848 . . . . 0.43 108.711 -175.697 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.4 tt0 -48.38 -54.8 12.66 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-O 117.844 -1.074 . . . . 2.53 112.178 170.593 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.6 t -53.32 -49.3 67.35 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 119.734 1.152 . . . . 0.57 109.351 -179.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.58 89.13 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 112.139 0.422 . . . . 0.29 112.139 179.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.558 HD21 HG13 ' A' ' 22' ' ' VAL . 32.8 mt -68.66 -40.29 80.24 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 123.798 0.839 . . . . 1.04 109.632 -177.197 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.36 -54.27 34.0 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.377 -0.828 . . . . 2.95 110.059 170.246 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -64.13 -39.69 94.58 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 122.033 -0.417 . . . . 7.13 111.585 179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.47 70.56 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.356 0.662 . . . . 0.47 110.715 176.345 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.83 44.25 0.9 Allowed Glycine 0 C--N 1.336 0.536 0 C-N-CA 124.124 0.869 . . . . 0.59 111.322 168.273 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -124.8 141.88 51.81 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 108.061 -1.089 . . . . 2.06 108.061 169.416 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.1 m -83.92 138.89 32.94 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 106.853 -1.536 . . . . 1.57 106.853 166.933 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.54 HD22 ' CD1' ' A' ' 8' ' ' TRP . 3.4 pp -135.45 175.85 9.21 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 109.466 -0.568 . . . . 0.86 109.466 168.412 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -126.98 132.45 50.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 105.042 -2.207 . . . . 3.22 105.042 155.504 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.37 142.94 55.31 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 106.329 -1.73 . . . . 2.8 106.329 175.39 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -106.43 172.58 6.74 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 113.435 -1.711 . . . . 2.61 111.774 177.073 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -65.37 175.19 1.81 Allowed 'General case' 0 C--O 1.238 0.479 0 CA-C-N 113.847 -1.524 . . . . 3.31 111.036 175.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.66 63.52 5.11 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.299 0.571 . . . . 2.54 110.807 -178.314 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . 76.04 -64.18 0.36 Allowed 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 126.032 1.733 . . . . 3.3 110.613 -170.346 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--O 1.255 1.343 0 CA-C-O 115.866 -2.016 . . . . 5.19 105.735 177.769 . . . . . . . . 0 0 . 1 stop_ save_