data_1j5b_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 1j5b _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 ' 1' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 117.409 -1.281 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -52.78 -27.18 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 121.303 1.865 . . . . 0.0 113.36 -172.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.13 -58.83 4.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.404 1.002 . . . . 0.0 110.236 173.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 p -70.58 -43.25 69.81 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.299 0.64 . . . . 0.0 112.214 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.67 -45.59 73.9 Favored 'General case' 0 N--CA 1.46 0.029 0 CA-C-N 120.163 1.347 . . . . 0.0 110.937 173.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.52 95.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.156 0.889 . . . . 0.0 110.981 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -57.44 -57.94 10.48 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 123.447 0.699 . . . . 0.0 109.39 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.31 -39.12 66.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.533 1.533 . . . . 0.0 110.87 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.44 93.36 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 119.502 1.047 . . . . 0.0 111.479 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.51 90.06 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.555 -0.715 . . . . 0.0 110.938 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -60.45 -45.68 92.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.559 1.543 . . . . 0.0 111.594 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.53 -50.17 74.75 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.541 1.136 . . . . 0.0 108.705 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.95 -35.79 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 118.314 -0.85 . . . . 0.0 111.449 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.86 90.79 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 120.677 1.581 . . . . 0.0 111.328 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.21 97.17 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.706 0.802 . . . . 0.0 110.645 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -60.22 -45.99 91.31 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 124.886 1.274 . . . . 0.0 110.329 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.7 71.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.846 0.858 . . . . 0.0 110.231 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -65.95 -62.7 1.35 Allowed 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.46 -35.54 52.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.277 1.031 . . . . 0.0 112.221 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.1 -53.59 29.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.819 2.047 . . . . 0.0 109.688 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.26 73.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.689 1.131 . . . . 0.0 111.914 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -68.82 -39.06 80.22 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.61 1.964 . . . . 0.0 109.874 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 tt -69.3 -38.06 78.09 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 120.911 -1.118 . . . . 0.0 110.644 173.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.18 -37.37 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 126.546 1.938 . . . . 0.0 109.103 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.6 76.89 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.621 1.1 . . . . 0.0 110.158 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.63 92.05 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 121.826 -0.546 . . . . 0.0 111.44 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -61.72 -38.04 86.42 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.34 1.856 . . . . 0.0 111.448 174.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.45 -48.53 74.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -55.76 -63.74 1.08 Allowed 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.49 -32.99 63.3 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.515 1.526 . . . . 0.0 113.03 -174.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.52 -49.33 33.62 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 119.069 0.85 . . . . 0.0 110.534 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.89 81.47 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.792 0.837 . . . . 0.0 110.833 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.18 -53.98 47.5 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.701 2.0 . . . . 0.0 107.473 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.21 -32.38 66.44 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.068 0.849 . . . . 0.0 112.686 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 CA--C 1.531 0.237 0 C-N-CA 124.432 1.093 . . . . 0.0 108.943 174.068 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 C--O 1.209 -1.042 0 CA-C-O 116.824 -1.56 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.33 -23.02 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 121.603 2.002 . . . . 0.0 112.124 -170.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.04 -59.95 2.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.524 -1.36 . . . . 0.0 109.142 173.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -61.23 -55.43 32.08 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.605 1.162 . . . . 0.0 111.034 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.32 -34.01 66.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.269 1.828 . . . . 0.0 112.429 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.28 65.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 120.685 1.584 . . . . 0.0 111.122 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -60.62 -50.06 75.04 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.28 -42.54 70.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.694 1.597 . . . . 0.0 110.234 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -36.3 83.71 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.048 0.84 . . . . 0.0 112.349 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.21 74.64 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 119.232 0.924 . . . . 0.0 109.329 174.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -58.29 -38.18 76.5 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.608 1.563 . . . . 0.0 111.174 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.24 -57.46 10.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.149 1.379 . . . . 0.0 109.295 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.3 t -58.9 -30.47 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.174 1.389 . . . . 0.0 111.445 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.59 -55.58 11.1 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.88 1.272 . . . . 0.0 110.671 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.13 73.57 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.415 0.626 . . . . 0.0 110.36 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -73.2 -30.78 63.76 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.514 1.526 . . . . 0.0 112.576 175.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.75 90.57 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 120.55 1.523 . . . . 0.0 109.45 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -67.4 -58.51 4.65 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.3 -38.21 57.83 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.757 1.223 . . . . 0.0 113.06 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.04 -53.37 39.33 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.696 1.198 . . . . 0.0 109.342 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.44 -32.85 74.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.798 0.726 . . . . 0.0 111.946 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.05 -43.92 94.05 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.28 1.432 . . . . 0.0 109.842 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.12 -45.56 88.06 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.676 1.191 . . . . 0.0 110.603 174.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.63 -36.26 64.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 125.526 1.53 . . . . 0.0 110.215 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.15 83.02 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.311 1.414 . . . . 0.0 110.456 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.87 88.91 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.279 -0.888 . . . . 0.0 110.619 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -66.37 -30.96 71.46 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 125.759 1.624 . . . . 0.0 110.403 174.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.32 -53.81 42.95 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 174.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -53.66 -62.39 1.68 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 126.122 1.769 . . . . 0.0 110.027 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.5 82.27 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.224 2.209 . . . . 0.0 112.734 -174.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.75 -45.16 75.73 Favored 'General case' 0 CA--C 1.526 0.053 0 CA-C-N 119.133 0.879 . . . . 0.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.18 -40.14 84.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.933 0.493 . . . . 0.0 110.149 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -61.44 -44.65 96.75 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.762 0.825 . . . . 0.0 111.002 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.69 84.55 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.721 1.146 . . . . 0.0 111.32 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.73 174.511 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.209 -1.075 0 CA-C-O 116.332 -1.794 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 t -48.42 -34.48 5.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.491 0 CA-C-N 121.435 1.925 . . . . 0.0 112.261 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.21 -62.83 1.5 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.926 0.784 . . . . 0.0 111.865 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -66.07 -42.25 89.69 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.462 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.58 -39.18 92.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 126.562 1.945 . . . . 0.0 113.442 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.97 70.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.79 1.177 . . . . 0.0 110.062 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -56.2 -55.32 34.6 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.21 -33.76 67.85 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.592 1.157 . . . . 0.0 111.347 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.37 94.11 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 120.058 1.299 . . . . 0.0 112.136 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.87 83.84 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.308 -0.87 . . . . 0.0 110.189 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.07 -43.67 91.46 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.151 1.381 . . . . 0.0 111.303 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.14 -51.3 69.87 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.849 1.26 . . . . 0.0 109.614 174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.06 -39.74 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 117.063 -1.446 . . . . 0.0 111.39 173.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.94 -54.35 43.03 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 120.245 1.384 . . . . 0.0 110.341 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.01 -45.25 79.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.303 0.641 . . . . 0.0 110.275 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -61.16 -40.19 92.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 125.357 1.463 . . . . 0.0 113.816 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.01 -33.07 71.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 119.223 0.919 . . . . 0.0 110.698 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -65.23 -53.68 40.82 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.75 62.11 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.976 1.31 . . . . 0.0 111.62 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.42 -48.6 72.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.371 1.068 . . . . 0.0 110.893 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.98 86.99 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.975 0.807 . . . . 0.0 111.341 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -61.42 -43.82 98.21 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.281 1.432 . . . . 0.0 110.108 174.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.58 -47.35 76.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.267 1.427 . . . . 0.0 110.49 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.0 -35.99 54.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 124.574 1.15 . . . . 0.0 110.054 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.51 85.73 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 120.441 1.473 . . . . 0.0 111.77 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.95 93.2 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.183 -0.948 . . . . 0.0 110.343 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -65.64 -27.26 68.25 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.758 1.223 . . . . 0.0 112.948 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.0 95.59 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.327 0.967 . . . . 0.0 109.004 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -64.14 -53.12 54.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.132 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.66 -47.97 49.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.687 1.595 . . . . 0.0 112.123 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.84 77.38 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.477 0.711 . . . . 0.0 110.609 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.7 84.29 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.408 0.683 . . . . 0.0 110.762 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -53.68 -54.68 34.44 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.673 1.989 . . . . 0.0 110.031 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.82 78.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.54 0.736 . . . . 0.0 112.22 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.8 t . . . . . 0 C--O 1.233 0.231 0 CA-C-N 119.044 0.838 . . . . 0.0 108.927 176.02 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 . . . . . 0 C--O 1.206 -1.189 0 CA-C-O 116.747 -1.597 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t -51.96 -31.22 13.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 121.074 1.761 . . . . 0.0 112.026 -169.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.34 -59.49 4.31 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.593 1.088 . . . . 0.0 111.624 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.3 t -59.68 -51.98 67.49 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.626 1.57 . . . . 0.0 110.325 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.01 -44.86 96.79 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 126.678 1.991 . . . . 0.0 111.499 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.8 -33.84 76.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 119.859 1.209 . . . . 0.0 111.161 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -53.99 51.16 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 121.383 -0.823 . . . . 0.0 108.813 174.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.21 -37.52 69.77 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 124.051 0.94 . . . . 0.0 111.235 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.12 88.85 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 124.289 1.036 . . . . 0.0 111.779 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.77 -47.1 55.87 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 123.418 0.687 . . . . 0.0 110.096 174.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.72 -38.4 81.57 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.437 1.495 . . . . 0.0 111.352 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.97 -54.78 42.78 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.601 1.161 . . . . 0.0 109.673 173.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.89 -35.62 57.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 124.45 1.1 . . . . 0.0 110.876 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.68 70.6 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 119.313 0.96 . . . . 0.0 110.209 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.41 89.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.433 0.635 . . . . 0.0 109.698 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -63.96 -24.96 67.93 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.026 1.33 . . . . 0.0 112.311 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.64 97.31 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.726 1.148 . . . . 0.0 109.636 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -72.44 -46.88 52.96 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.27 -33.08 62.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.217 0.607 . . . . 0.0 112.206 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.68 70.96 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.289 1.436 . . . . 0.0 109.834 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.1 94.54 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.67 0.388 . . . . 0.0 111.474 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.35 -44.15 92.72 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.198 1.799 . . . . 0.0 110.015 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.1 -47.89 78.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.107 0.963 . . . . 0.0 110.151 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.15 -38.42 74.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.015 1.326 . . . . 0.0 110.748 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.24 90.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.251 0.932 . . . . 0.0 110.891 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.37 92.73 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.627 -0.67 . . . . 0.0 110.628 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -58.78 -30.14 67.35 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.721 1.208 . . . . 0.0 111.752 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.64 97.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.389 0.995 . . . . 0.0 110.408 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -51.28 61.87 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.73 63.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.816 1.246 . . . . 0.0 112.496 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.12 -52.09 31.77 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.937 0.895 . . . . 0.0 109.66 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.75 -34.54 71.5 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.597 0.635 . . . . 0.0 112.302 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -65.94 -52.93 45.46 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.695 1.598 . . . . 0.0 108.797 174.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.03 77.68 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 118.673 0.67 . . . . 0.0 112.303 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.233 0.194 0 C-N-CA 125.855 1.662 . . . . 0.0 108.633 173.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 116.783 -1.579 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t -50.37 -31.07 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 120.735 1.607 . . . . 0.0 113.16 -173.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.33 -65.21 0.71 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 119.694 1.134 . . . . 0.0 110.246 173.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.3 t -57.43 -50.21 73.74 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.776 0.83 . . . . 0.0 110.111 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -33.4 71.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.213 1.805 . . . . 0.0 112.465 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.41 71.46 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 120.387 1.449 . . . . 0.0 108.765 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -57.12 -57.8 10.98 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.33 1.052 . . . . 0.0 109.027 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.23 72.74 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.322 1.449 . . . . 0.0 110.935 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.07 93.47 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 120.252 1.387 . . . . 0.0 112.087 176.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.07 -42.59 84.43 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.375 -0.828 . . . . 0.0 109.966 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.55 -30.66 71.69 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.808 1.243 . . . . 0.0 111.532 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -67.64 -46.66 71.81 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.312 1.445 . . . . 0.0 109.287 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.36 -34.55 64.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 125.713 1.605 . . . . 0.0 111.54 174.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -52.04 55.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.122 0.874 . . . . 0.0 109.583 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.33 -37.26 69.72 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.088 0.555 . . . . 0.0 111.113 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -64.51 -44.11 91.95 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.2 1.4 . . . . 0.0 111.416 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.33 -44.1 83.94 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.448 0.699 . . . . 0.0 110.021 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -63.88 -57.89 8.46 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.99 -40.17 60.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.971 1.308 . . . . 0.0 112.838 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.63 -54.95 23.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.953 1.301 . . . . 0.0 109.476 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -33.77 73.71 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.414 0.552 . . . . 0.0 111.927 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.11 -46.17 82.14 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.32 1.848 . . . . 0.0 110.829 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.53 -46.46 88.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.222 1.009 . . . . 0.0 110.348 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.14 -32.6 56.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.423 1.089 . . . . 0.0 110.071 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.48 -38.28 80.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 119.437 1.017 . . . . 0.0 111.799 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.95 -48.25 71.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 119.028 0.831 . . . . 0.0 109.299 173.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -52.07 -39.19 59.3 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.723 1.209 . . . . 0.0 110.651 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.02 -50.66 72.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.866 0.757 . . . . 0.0 110.478 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -56.43 15.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.25 -39.51 72.68 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 124.257 1.023 . . . . 0.0 112.251 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.83 76.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.388 1.075 . . . . 0.0 111.05 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.79 98.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.782 0.833 . . . . 0.0 110.443 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -60.15 -43.67 95.57 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.047 1.739 . . . . 0.0 110.804 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.24 98.15 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.109 0.564 . . . . 0.0 110.847 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.333 177.536 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.205 -1.261 0 CA-C-O 116.06 -1.924 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.6 t -47.09 -34.12 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 121.755 2.07 . . . . 0.0 113.219 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -66.29 0.56 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.244 0.929 . . . . 0.0 110.524 173.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.7 m -67.34 -38.19 84.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.777 -0.577 . . . . 0.0 112.302 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.87 -37.67 77.07 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.958 1.703 . . . . 0.0 110.627 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 120.143 1.338 . . . . 0.0 110.211 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -62.34 -55.33 29.12 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.5 62.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.787 1.235 . . . . 0.0 111.553 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -50.69 64.59 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 124.818 1.247 . . . . 0.0 111.352 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.43 87.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.198 0.908 . . . . 0.0 111.224 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.5 -44.02 93.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.743 1.617 . . . . 0.0 109.907 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -44.54 76.79 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.753 0.821 . . . . 0.0 109.866 178.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.85 -34.94 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 120.949 -1.094 . . . . 0.0 110.679 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.14 82.16 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.905 1.229 . . . . 0.0 111.217 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.41 94.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.255 0.622 . . . . 0.0 110.619 174.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -65.51 -34.93 79.41 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 125.634 1.574 . . . . 0.0 111.285 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.87 97.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.34 0.973 . . . . 0.0 110.21 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -62.11 -54.37 42.18 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.45 70.34 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.623 0.769 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.74 91.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.943 0.897 . . . . 0.0 110.927 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.31 98.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.915 0.486 . . . . 0.0 110.641 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.39 -40.26 93.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.172 1.789 . . . . 0.0 111.392 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.26 -53.21 59.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.701 0.8 . . . . 0.0 109.104 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.56 -35.51 63.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.133 0.973 . . . . 0.0 110.552 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.22 58.14 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.573 1.079 . . . . 0.0 110.93 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.52 91.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.462 -0.774 . . . . 0.0 110.509 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.78 -22.31 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 113.204 173.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.15 66.91 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -54.49 46.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.52 1.128 . . . . 0.0 108.982 175.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.6 76.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.365 1.066 . . . . 0.0 112.227 -175.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.61 77.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.057 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.07 -43.74 95.25 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.654 0.661 . . . . 0.0 110.273 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.11 -49.22 78.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.846 1.659 . . . . 0.0 109.553 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.485 1.114 . . . . 0.0 111.302 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 CA--C 1.532 0.28 0 C-N-CA 123.496 0.718 . . . . 0.0 109.478 174.019 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 115.756 -2.069 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.35 -28.33 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 122.287 2.312 . . . . 0.0 112.535 -172.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.17 -60.93 2.33 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.94 1.246 . . . . 0.0 110.541 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -60.78 -51.53 68.96 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.984 0.514 . . . . 0.0 110.28 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.13 -35.56 71.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.317 1.447 . . . . 0.0 112.863 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 -34.41 59.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 120.128 1.331 . . . . 0.0 111.49 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -59.82 -52.84 63.71 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.5 66.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.363 1.465 . . . . 0.0 110.884 174.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.76 95.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 119.81 1.187 . . . . 0.0 111.375 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.76 76.73 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.794 -1.192 . . . . 0.0 109.93 174.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.99 -31.58 72.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.905 0.882 . . . . 0.0 110.686 173.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.72 -48.09 70.3 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.178 0.991 . . . . 0.0 108.63 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.06 -32.26 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.308 1.443 . . . . 0.0 111.603 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -50.13 50.64 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.449 1.1 . . . . 0.0 110.296 174.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.9 71.11 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.513 0.725 . . . . 0.0 109.776 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.55 -37.81 80.26 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.952 1.701 . . . . 0.0 113.103 173.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.44 87.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 120.16 1.346 . . . . 0.0 109.624 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -65.29 -66.23 0.57 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.241 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.76 68.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.09 69.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.437 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.91 81.07 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.006 0.821 . . . . 0.0 110.446 176.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -60.64 -43.88 97.05 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.657 1.583 . . . . 0.0 110.006 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.47 -46.84 74.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.829 0.852 . . . . 0.0 110.243 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.11 -36.45 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.585 1.154 . . . . 0.0 110.899 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 -52.27 63.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.786 0.721 . . . . 0.0 110.441 176.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.87 83.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.99 0.916 . . . . 0.0 111.556 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.74 -33.4 68.41 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 125.075 1.35 . . . . 0.0 110.937 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.72 89.62 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.388 0.995 . . . . 0.0 109.849 174.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -59.46 -58.07 10.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.1 -38.05 64.93 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.983 0.913 . . . . 0.0 112.033 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.29 -49.26 70.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.327 0.651 . . . . 0.0 110.354 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.13 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.439 0.696 . . . . 0.0 110.3 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.45 -46.03 87.38 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.678 1.591 . . . . 0.0 110.661 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.94 70.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.93 0.786 . . . . 0.0 111.815 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.234 0.268 0 CA-C-N 119.946 1.248 . . . . 0.0 108.068 173.77 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--O 1.209 -1.039 0 CA-C-O 116.322 -1.799 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.28 -33.8 21.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 121.32 1.873 . . . . 0.0 112.279 -169.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.26 -57.92 6.5 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 119.568 1.077 . . . . 0.0 111.129 173.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -52.26 65.98 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.417 0.287 . . . . 0.0 110.694 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.6 -38.95 67.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.621 1.968 . . . . 0.0 111.558 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.59 -49.59 65.86 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -57.27 -57.03 14.4 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 123.366 0.666 . . . . 0.0 109.286 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.9 80.01 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.155 1.382 . . . . 0.0 111.03 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.3 99.17 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.092 0.557 . . . . 0.0 111.599 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.61 -41.64 83.68 Favored 'General case' 0 C--O 1.225 -0.19 0 O-C-N 121.481 -0.762 . . . . 0.0 110.528 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.0 -44.52 94.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.013 2.125 . . . . 0.0 110.777 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.87 -50.21 71.25 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.506 0.723 . . . . 0.0 109.858 174.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.21 -29.83 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.073 0.949 . . . . 0.0 111.688 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.24 80.13 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.308 1.043 . . . . 0.0 109.6 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.97 95.87 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 123.791 0.836 . . . . 0.0 109.841 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -53.64 -39.18 64.79 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 125.18 1.392 . . . . 0.0 111.214 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.62 71.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.051 0.841 . . . . 0.0 110.437 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -75.7 -52.05 11.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.416 0.686 . . . . 0.0 109.328 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -44.23 81.08 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.556 1.542 . . . . 0.0 112.371 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.05 -41.76 90.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.08 82.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.913 0.778 . . . . 0.0 111.876 175.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -63.87 -39.95 95.4 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.676 1.99 . . . . 0.0 109.947 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.2 -46.44 80.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.66 1.184 . . . . 0.0 110.046 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.07 -34.65 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 126.153 1.781 . . . . 0.0 110.983 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.5 82.9 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.529 1.059 . . . . 0.0 110.95 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.3 96.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.797 0.439 . . . . 0.0 111.057 174.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -57.19 -42.13 80.63 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 124.773 1.229 . . . . 0.0 109.938 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.14 90.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 118.466 0.575 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -63.53 -61.71 2.15 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 174.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.7 -35.16 60.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.548 1.139 . . . . 0.0 112.52 -175.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.34 -53.48 29.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.043 0.937 . . . . 0.0 110.369 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.37 -43.12 78.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.422 0.689 . . . . 0.0 110.461 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.94 -41.21 97.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.961 2.105 . . . . 0.0 110.972 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.93 -28.95 66.0 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 121.52 -0.738 . . . . 0.0 111.377 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 C--O 1.232 0.183 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 173.7 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 C--O 1.203 -1.345 0 CA-C-O 116.534 -1.698 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.78 -28.07 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 121.615 2.007 . . . . 0.0 112.153 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.13 -59.36 4.19 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.197 -0.939 . . . . 0.0 110.321 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.3 p -62.56 -51.06 68.87 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -56.97 -33.75 67.37 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 126.827 2.051 . . . . 0.0 111.94 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -39.93 68.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 119.953 1.252 . . . . 0.0 111.096 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' O ' ' HE3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.32 -49.96 69.68 Favored 'General case' 0 C--O 1.226 -0.177 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 176.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.37 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 126.145 1.778 . . . . 0.0 110.112 174.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.98 90.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.579 1.081 . . . . 0.0 111.851 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.84 72.66 Favored 'General case' 0 C--O 1.227 -0.113 0 O-C-N 121.32 -0.862 . . . . 0.0 109.664 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.94 -33.3 70.43 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.537 1.535 . . . . 0.0 111.175 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tt -64.84 -58.19 6.86 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.388 1.875 . . . . 0.0 108.867 173.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.36 -30.87 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.406 1.082 . . . . 0.0 111.854 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.83 -48.74 35.29 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.736 1.615 . . . . 0.0 111.208 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.1 80.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.195 0.521 . . . . 0.0 109.819 174.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -67.94 -35.94 79.26 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 125.26 1.424 . . . . 0.0 110.756 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.76 91.69 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 120.117 1.326 . . . . 0.0 110.656 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -65.67 -57.8 7.22 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.88 -35.09 61.2 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.776 1.23 . . . . 0.0 112.418 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.21 -52.6 64.1 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.016 1.326 . . . . 0.0 110.316 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.24 85.15 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.619 0.768 . . . . 0.0 111.56 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.21 -44.75 96.78 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.93 1.292 . . . . 0.0 109.77 174.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.76 -43.4 84.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.533 1.133 . . . . 0.0 110.823 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.72 -40.74 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.589 1.155 . . . . 0.0 110.319 174.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.71 93.38 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.065 1.302 . . . . 0.0 110.818 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.63 79.23 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.981 -1.074 . . . . 0.0 111.756 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -68.04 -23.56 64.99 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.466 1.507 . . . . 0.0 111.836 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.88 83.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -63.68 -51.98 62.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.95 -41.97 62.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.637 1.175 . . . . 0.0 112.165 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.6 78.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.341 0.519 . . . . 0.0 111.419 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.17 93.45 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 118.648 0.658 . . . . 0.0 111.437 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.3 -46.01 91.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.521 1.928 . . . . 0.0 109.872 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.14 -48.04 77.6 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.195 -0.941 . . . . 0.0 110.783 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 CA--C 1.53 0.194 0 C-N-CA 123.886 0.875 . . . . 0.0 109.185 178.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 . . . . . 0 CA--C 1.497 -1.075 0 CA-C-O 116.693 -1.623 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.16 -31.86 22.44 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-N 121.474 1.943 . . . . 0.0 111.972 -170.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.16 -48.72 78.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 119.205 0.912 . . . . 0.0 112.627 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -73.91 -48.6 29.66 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.787 0.721 . . . . 0.0 111.55 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.67 -35.18 78.84 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.634 1.574 . . . . 0.0 111.803 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.03 89.08 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 119.947 1.249 . . . . 0.0 110.7 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -61.22 -56.44 20.62 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 123.949 0.899 . . . . 0.0 108.853 175.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.54 -34.79 73.09 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.833 1.253 . . . . 0.0 111.377 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.24 -49.6 71.29 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.299 1.04 . . . . 0.0 109.94 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.42 98.61 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 122.765 0.426 . . . . 0.0 111.001 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.55 -40.31 92.73 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 125.11 1.364 . . . . 0.0 110.888 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.58 -44.83 92.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.815 -0.553 . . . . 0.0 110.159 173.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.32 -42.19 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.344 1.058 . . . . 0.0 110.419 175.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.92 -49.91 75.84 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.302 0.955 . . . . 0.0 109.727 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.57 -44.63 89.8 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.285 0.493 . . . . 0.0 111.141 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.73 -30.05 71.05 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 127.101 2.161 . . . . 0.0 111.665 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.74 -33.05 72.33 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.825 1.193 . . . . 0.0 110.691 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -68.69 -54.03 18.64 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.342 1.057 . . . . 0.0 108.824 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.25 62.63 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.322 1.049 . . . . 0.0 112.119 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.87 81.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.099 1.36 . . . . 0.0 110.357 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.18 86.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.165 0.507 . . . . 0.0 111.5 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.09 -43.84 98.28 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.049 1.339 . . . . 0.0 108.868 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.09 -39.54 95.01 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.773 174.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.7 t -59.64 -37.45 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.648 1.567 . . . . 0.0 110.476 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.42 70.85 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 119.218 0.917 . . . . 0.0 110.758 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.68 80.25 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.94 -0.475 . . . . 0.0 110.944 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -62.13 -36.08 80.69 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.162 2.185 . . . . 0.0 111.497 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.56 -44.6 77.84 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.595 1.089 . . . . 0.0 110.339 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -57.93 -55.89 29.09 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.713 0.768 . . . . 0.0 109.088 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.65 -28.87 64.11 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.619 1.168 . . . . 0.0 112.756 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.8 -41.58 62.15 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 119.618 1.099 . . . . 0.0 110.465 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.43 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.653 0.661 . . . . 0.0 109.293 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.75 -41.44 95.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.974 1.31 . . . . 0.0 110.067 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.89 85.28 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.937 0.895 . . . . 0.0 111.853 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.232 0.166 0 C-N-CA 124.977 1.311 . . . . 0.0 109.539 175.754 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 CA--C 1.501 -0.913 0 CA-C-O 116.716 -1.611 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.4 t -49.38 -37.62 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 121.352 1.887 . . . . 0.0 112.177 -169.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.62 -60.04 4.28 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.745 0.702 . . . . 0.0 111.752 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.6 m -65.03 -44.03 90.48 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.271 -0.893 . . . . 0.0 112.317 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.81 -34.29 69.49 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.879 2.071 . . . . 0.0 111.002 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.63 -43.5 84.55 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -63.12 -50.7 69.42 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.54 -42.65 71.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.563 0.745 . . . . 0.0 110.916 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.54 82.6 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 118.654 0.661 . . . . 0.0 111.81 174.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.82 -36.64 64.96 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.208 -0.933 . . . . 0.0 111.677 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -63.42 -37.8 88.69 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.916 2.086 . . . . 0.0 110.157 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.18 -55.36 29.44 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.025 1.33 . . . . 0.0 109.186 173.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.8 t -61.34 -32.73 53.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.695 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.08 69.97 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.613 1.097 . . . . 0.0 110.934 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.66 -45.1 93.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.453 0.644 . . . . 0.0 109.794 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -66.2 -32.48 73.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.025 1.33 . . . . 0.0 111.488 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.38 98.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -61.55 -56.47 19.65 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 118.117 -0.944 . . . . 0.0 109.022 174.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.0 -46.51 68.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.984 1.713 . . . . 0.0 112.642 -174.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.87 -48.63 80.91 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.715 0.806 . . . . 0.0 109.528 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.38 -25.72 66.1 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.09 -40.73 74.78 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.185 1.794 . . . . 0.0 109.814 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.414 ' CD2' HD22 ' A' ' 27' ' ' ASN . 5.4 tt -64.2 -53.98 40.72 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.943 1.697 . . . . 0.0 109.114 174.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.34 -33.77 48.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 125.191 1.397 . . . . 0.0 111.374 175.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.89 74.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.768 1.167 . . . . 0.0 111.725 176.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.41 87.55 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.285 -0.885 . . . . 0.0 109.742 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.414 HD22 ' CD2' ' A' ' 23' ' ' LEU . 92.6 m-20 -63.58 -25.85 68.42 Favored 'General case' 0 C--O 1.225 -0.202 0 O-C-N 121.671 -0.643 . . . . 0.0 111.036 173.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.27 95.3 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.618 1.099 . . . . 0.0 109.299 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -60.1 -54.73 42.47 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.34 -45.51 55.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.493 1.117 . . . . 0.0 111.761 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.42 78.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.127 0.971 . . . . 0.0 112.338 -177.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.97 -49.71 27.53 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 119.445 1.02 . . . . 0.0 109.611 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -56.07 -39.84 72.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.862 1.665 . . . . 0.0 111.674 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.03 99.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.825 1.25 . . . . 0.0 110.543 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.242 178.515 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 CA--C 1.498 -1.056 0 CA-C-O 116.405 -1.759 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.9 t -46.9 -38.33 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 121.425 1.92 . . . . 0.0 112.8 -170.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.7 -60.08 3.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.051 0.94 . . . . 0.0 113.039 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.6 t -58.73 -50.98 71.91 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.595 0.758 . . . . 0.0 109.631 177.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -51.06 -45.58 61.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.043 1.337 . . . . 0.0 110.857 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.01 82.95 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.117 0.871 . . . . 0.0 110.822 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -60.26 3.7 Favored 'General case' 0 C--N 1.339 0.112 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 174.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.74 -36.76 67.63 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.947 0.899 . . . . 0.0 111.734 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.65 93.87 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.998 1.719 . . . . 0.0 111.689 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.45 -40.3 77.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.991 0.517 . . . . 0.0 110.03 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.02 -40.54 93.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.456 1.503 . . . . 0.0 111.152 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.76 -47.09 87.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.253 1.021 . . . . 0.0 109.133 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.0 -36.28 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.065 1.346 . . . . 0.0 111.188 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.75 69.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.15 0.98 . . . . 0.0 109.8 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.55 84.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 119.02 0.827 . . . . 0.0 110.135 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -63.38 -19.25 64.51 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-O 117.952 -1.023 . . . . 0.0 112.887 176.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.02 91.57 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.588 1.085 . . . . 0.0 109.223 173.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.57 -57.86 8.79 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.63 -45.13 47.92 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.585 1.154 . . . . 0.0 111.507 -174.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.05 -54.98 39.63 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.441 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.49 82.82 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.509 1.049 . . . . 0.0 111.793 -177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -60.08 -50.28 74.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.223 1.809 . . . . 0.0 110.025 174.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.8 -46.67 84.12 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.797 1.639 . . . . 0.0 110.519 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.34 -35.83 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 126.097 1.759 . . . . 0.0 110.283 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.76 -50.52 66.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 119.633 1.106 . . . . 0.0 110.301 173.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.31 -29.22 69.74 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 122.179 -0.326 . . . . 0.0 111.771 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -75.97 -32.21 59.39 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 125.93 1.692 . . . . 0.0 112.457 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -42.03 87.21 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -60.64 -52.13 66.44 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.56 -41.26 60.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.126 0.97 . . . . 0.0 112.122 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -50.74 69.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.562 1.145 . . . . 0.0 110.645 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.16 87.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.706 0.802 . . . . 0.0 111.467 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -61.84 -41.23 97.55 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 126.026 1.73 . . . . 0.0 110.148 175.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.64 -41.97 92.0 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 121.238 -0.914 . . . . 0.0 110.067 177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 C--O 1.236 0.353 0 C-N-CA 123.945 0.898 . . . . 0.0 109.586 176.469 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.208 -1.123 0 CA-C-O 116.66 -1.638 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.36 -26.45 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-N 121.7 2.045 . . . . 0.0 113.27 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -59.35 3.38 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.851 1.205 . . . . 0.0 109.924 173.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 t -64.35 -53.57 46.57 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.397 1.079 . . . . 0.0 110.986 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.08 -34.64 57.47 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 127.029 2.132 . . . . 0.0 111.861 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.23 -42.87 79.11 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.257 0.935 . . . . 0.0 111.049 174.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -62.47 -50.36 71.74 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 123.129 0.572 . . . . 0.0 109.576 176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.72 -39.49 68.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.878 1.271 . . . . 0.0 110.527 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.27 85.77 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.274 -0.891 . . . . 0.0 112.262 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.92 82.47 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.459 -0.776 . . . . 0.0 110.329 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.21 -43.3 96.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.204 1.802 . . . . 0.0 110.006 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.84 -50.5 72.03 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 124.144 0.978 . . . . 0.0 109.143 174.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.8 t -57.72 -33.41 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 O-C-N 121.021 -1.049 . . . . 0.0 111.718 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.68 73.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.4 1.0 . . . . 0.0 110.731 173.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.25 96.09 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.512 -0.743 . . . . 0.0 109.035 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -63.68 -32.56 74.09 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 126.224 1.81 . . . . 0.0 110.5 174.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -49.24 72.63 Favored 'General case' 0 C--O 1.23 0.062 0 CA-C-N 120.125 1.33 . . . . 0.0 109.571 176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -61.6 -52.56 63.87 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.65 -44.1 72.95 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.929 0.892 . . . . 0.0 111.657 -176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.02 70.22 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 124.131 0.973 . . . . 0.0 109.463 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -41.63 89.37 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.843 0.747 . . . . 0.0 112.114 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -57.16 -50.9 71.4 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.956 2.102 . . . . 0.0 109.467 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.77 -40.59 97.06 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 125.193 1.397 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.9 -40.64 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 126.952 2.101 . . . . 0.0 110.501 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.45 82.02 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.089 0.859 . . . . 0.0 109.954 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.66 76.13 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.26 175.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -48.92 -42.47 37.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 126.417 1.887 . . . . 0.0 111.527 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.33 -52.95 57.53 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -75.95 -44.51 39.64 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.7 -40.31 72.23 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.229 1.411 . . . . 0.0 111.752 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.58 80.25 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.833 0.742 . . . . 0.0 109.89 174.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.04 73.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.878 0.871 . . . . 0.0 111.644 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -73.09 -40.46 64.97 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.73 2.412 . . . . 0.0 110.217 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.59 -30.84 67.52 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 120.163 1.347 . . . . 0.0 110.397 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.307 1.043 . . . . 0.0 108.982 173.471 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 C--O 1.206 -1.185 0 CA-C-O 115.736 -2.078 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.98 -28.43 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 123.05 2.659 . . . . 0.0 112.47 -170.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.58 -65.67 0.64 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.087 0.858 . . . . 0.0 110.203 173.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.1 m -68.72 -35.6 77.35 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.83 -39.74 92.85 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.81 1.644 . . . . 0.0 111.767 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.77 -42.65 85.76 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.859 0.754 . . . . 0.0 109.928 174.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -56.0 -59.23 5.2 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.36 -37.99 73.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.181 0.992 . . . . 0.0 111.615 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.86 94.18 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 118.769 0.713 . . . . 0.0 111.508 174.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.79 -35.97 64.99 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.538 -0.726 . . . . 0.0 111.124 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -62.39 -39.07 92.03 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.671 1.589 . . . . 0.0 109.962 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.46 -56.71 15.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.414 1.485 . . . . 0.0 110.187 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.15 -37.83 57.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.59 0.756 . . . . 0.0 111.005 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.97 -49.0 74.25 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.091 0.956 . . . . 0.0 111.06 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.29 98.87 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 119.064 0.847 . . . . 0.0 110.061 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -65.5 -17.5 64.6 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.243 1.017 . . . . 0.0 112.411 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.5 -50.05 68.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 119.93 1.241 . . . . 0.0 108.213 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -59.84 -59.97 4.59 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 124.936 1.294 . . . . 0.0 108.641 175.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.47 -37.11 64.85 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.51 -51.16 54.27 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.752 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.29 -37.1 74.35 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.96 1.254 . . . . 0.0 111.675 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -60.3 -45.18 94.27 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.48 1.512 . . . . 0.0 110.713 173.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -69.98 -40.93 75.06 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.825 1.25 . . . . 0.0 110.81 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.29 -37.1 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 109.495 174.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.42 81.42 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.514 1.052 . . . . 0.0 109.684 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.27 -25.35 68.02 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.375 -0.828 . . . . 0.0 112.805 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -75.34 -39.83 58.93 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 126.151 1.78 . . . . 0.0 109.2 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.4 98.92 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -56.34 -54.76 41.7 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 124.484 1.114 . . . . 0.0 108.881 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.12 -40.59 67.5 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.5 1.12 . . . . 0.0 112.406 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -51.26 65.08 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.21 73.88 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.594 1.158 . . . . 0.0 112.31 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.02 -42.89 79.97 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.664 1.986 . . . . 0.0 109.602 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.91 92.8 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.693 0.679 . . . . 0.0 110.664 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.7 t . . . . . 0 C--O 1.231 0.129 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.153 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 CA--C 1.492 -1.278 0 CA-C-O 116.55 -1.69 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.8 t -53.26 -31.54 18.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 120.721 1.601 . . . . 0.0 112.31 -169.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.32 -58.33 6.81 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 119.532 1.06 . . . . 0.0 110.577 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -69.13 -45.09 70.99 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -52.16 -54.23 33.33 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.468 1.507 . . . . 0.0 109.934 173.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.86 -33.33 70.33 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.112 0.869 . . . . 0.0 112.114 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.413 ' HZ1' ' CD ' ' A' ' 11' ' ' GLU . 8.8 tmtt? -60.84 -59.11 5.9 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.22 -37.34 74.66 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.386 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.81 96.71 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.394 1.078 . . . . 0.0 111.832 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.31 91.4 Favored 'General case' 0 C--N 1.337 0.039 0 O-C-N 121.189 -0.944 . . . . 0.0 110.056 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' CD ' ' HZ1' ' A' ' 7' ' ' LYS . 57.5 mt-10 -65.99 -28.8 69.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.863 0.865 . . . . 0.0 111.138 174.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.12 -52.61 26.47 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.512 -1.367 . . . . 0.0 109.864 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.63 -32.96 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.492 1.117 . . . . 0.0 110.304 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -56.01 18.43 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.884 1.22 . . . . 0.0 110.625 174.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.0 73.66 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.859 0.864 . . . . 0.0 111.297 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -66.59 -39.29 88.36 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.362 1.465 . . . . 0.0 112.829 173.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.09 75.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 119.554 1.07 . . . . 0.0 110.957 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -62.07 -57.31 12.06 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 173.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.68 60.94 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.138 0.975 . . . . 0.0 112.289 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -46.94 74.89 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.905 1.282 . . . . 0.0 110.665 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.29 79.86 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 118.98 0.809 . . . . 0.0 111.141 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -66.22 -35.44 80.45 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 124.79 1.236 . . . . 0.0 111.533 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -66.71 -52.31 46.0 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.832 1.653 . . . . 0.0 109.542 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.0 -40.37 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 126.215 1.806 . . . . 0.0 110.351 173.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.16 83.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.419 1.009 . . . . 0.0 111.078 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.59 98.9 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.729 -0.607 . . . . 0.0 110.867 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -60.62 -27.36 67.71 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 125.157 1.383 . . . . 0.0 113.224 174.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.96 98.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.498 1.045 . . . . 0.0 109.273 174.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -64.08 -56.26 16.25 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.58 58.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.825 0.85 . . . . 0.0 112.59 -177.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.42 -47.25 64.71 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.304 0.642 . . . . 0.0 110.685 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.99 86.25 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.77 0.828 . . . . 0.0 111.124 177.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.54 -57.41 12.84 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.245 2.218 . . . . 0.0 108.235 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.66 -38.62 67.14 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.061 0.846 . . . . 0.0 111.826 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.6 t . . . . . 0 CA--C 1.531 0.241 0 C-N-CA 123.792 0.837 . . . . 0.0 109.67 174.535 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 CA--C 1.497 -1.074 0 CA-C-O 116.27 -1.824 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.15 -42.25 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 121.149 1.795 . . . . 0.0 112.191 -168.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.8 -60.72 3.26 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 119.341 0.973 . . . . 0.0 112.234 173.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.1 t -62.12 -52.38 64.08 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.413 0.685 . . . . 0.0 110.598 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -51.62 -41.61 61.39 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 126.812 2.045 . . . . 0.0 111.529 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.15 -41.86 80.97 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.897 0.879 . . . . 0.0 109.728 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -60.96 -55.98 26.49 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.34 -43.64 67.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.749 1.22 . . . . 0.0 109.976 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.46 -36.17 75.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.32 -42.29 54.9 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.284 0.634 . . . . 0.0 110.748 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -60.82 -38.93 87.14 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.336 1.854 . . . . 0.0 111.222 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.56 -54.52 45.6 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.326 1.851 . . . . 0.0 108.706 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.92 -34.35 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 124.1 0.96 . . . . 0.0 111.802 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.36 69.65 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.742 1.156 . . . . 0.0 110.698 176.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.88 88.96 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 122.076 0.941 . . . . 0.0 110.747 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -72.58 -19.7 61.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.435 1.094 . . . . 0.0 111.481 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -37.18 83.43 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 120.271 1.396 . . . . 0.0 108.83 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -52.1 64.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.88 -46.11 60.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.044 0.938 . . . . 0.0 111.313 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.89 71.65 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.024 1.33 . . . . 0.0 110.554 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.2 75.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.036 0.535 . . . . 0.0 112.079 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.08 -45.26 77.86 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.614 1.965 . . . . 0.0 110.924 173.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.03 -45.38 93.82 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.688 1.195 . . . . 0.0 109.591 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 t -60.98 -38.28 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 124.853 1.261 . . . . 0.0 110.779 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.47 77.53 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.371 1.442 . . . . 0.0 111.061 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.61 92.63 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 122.816 0.446 . . . . 0.0 110.264 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -57.63 -40.35 79.01 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 125.741 1.616 . . . . 0.0 110.667 175.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.32 93.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.414 0.686 . . . . 0.0 109.659 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -62.37 1.9 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.6 -42.73 64.82 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.014 1.725 . . . . 0.0 112.761 -174.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.11 -52.53 64.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.383 0.538 . . . . 0.0 110.429 174.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.72 90.27 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.548 0.739 . . . . 0.0 110.869 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -56.78 -51.2 69.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 127.356 2.262 . . . . 0.0 110.279 175.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.34 -30.89 71.94 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.622 0.769 . . . . 0.0 111.638 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 CA--C 1.53 0.204 0 CA-C-N 119.404 1.002 . . . . 0.0 109.495 174.192 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 115.756 -2.069 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.35 -28.33 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 122.287 2.312 . . . . 0.0 112.535 -172.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.17 -60.93 2.33 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.94 1.246 . . . . 0.0 110.541 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -60.78 -51.53 68.96 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.984 0.514 . . . . 0.0 110.28 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.13 -35.56 71.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.317 1.447 . . . . 0.0 112.863 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 -34.41 59.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 120.128 1.331 . . . . 0.0 111.49 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -59.82 -52.84 63.71 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.5 66.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.363 1.465 . . . . 0.0 110.884 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.76 95.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 119.81 1.187 . . . . 0.0 111.375 174.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.76 76.73 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.794 -1.192 . . . . 0.0 109.93 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.99 -31.58 72.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.905 0.882 . . . . 0.0 110.686 173.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.72 -48.09 70.3 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.178 0.991 . . . . 0.0 108.63 173.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.06 -32.26 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.308 1.443 . . . . 0.0 111.603 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -50.13 50.64 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.449 1.1 . . . . 0.0 110.296 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.9 71.11 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.513 0.725 . . . . 0.0 109.776 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.55 -37.81 80.26 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.952 1.701 . . . . 0.0 113.103 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.44 87.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 120.16 1.346 . . . . 0.0 109.624 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -65.29 -66.23 0.57 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.241 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.76 68.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.09 69.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.437 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.91 81.07 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.006 0.821 . . . . 0.0 110.446 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -60.64 -43.88 97.05 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.657 1.583 . . . . 0.0 110.006 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.47 -46.84 74.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.829 0.852 . . . . 0.0 110.243 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.11 -36.45 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.585 1.154 . . . . 0.0 110.899 174.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 -52.27 63.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.786 0.721 . . . . 0.0 110.441 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.87 83.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.99 0.916 . . . . 0.0 111.556 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.74 -33.4 68.41 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 125.075 1.35 . . . . 0.0 110.937 175.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.72 89.62 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.388 0.995 . . . . 0.0 109.849 174.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -59.46 -58.07 10.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.1 -38.05 64.93 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.983 0.913 . . . . 0.0 112.033 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.29 -49.26 70.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.327 0.651 . . . . 0.0 110.354 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.13 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.439 0.696 . . . . 0.0 110.3 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.45 -46.03 87.38 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.678 1.591 . . . . 0.0 110.661 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.94 70.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.93 0.786 . . . . 0.0 111.815 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.234 0.268 0 CA-C-N 119.946 1.248 . . . . 0.0 108.068 173.77 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 . . . . . 0 CA--C 1.494 -1.178 0 CA-C-O 116.137 -1.887 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.37 -31.11 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 121.459 1.936 . . . . 0.0 111.563 -172.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.67 -61.98 2.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.477 1.035 . . . . 0.0 110.661 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -70.76 -46.16 63.46 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 118.247 -0.883 . . . . 0.0 112.677 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.78 -34.0 62.08 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.5 1.5 . . . . 0.0 112.822 174.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.09 -38.0 61.35 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 120.425 1.466 . . . . 0.0 111.776 174.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -65.47 -47.61 75.49 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.75 -38.49 75.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.528 1.531 . . . . 0.0 110.623 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.63 77.5 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.443 1.02 . . . . 0.0 112.096 174.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.38 -41.76 72.62 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.136 -0.977 . . . . 0.0 110.121 174.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -62.07 -33.74 74.97 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.291 1.837 . . . . 0.0 111.329 176.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.39 -59.13 3.96 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.08 1.752 . . . . 0.0 108.87 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.35 -33.18 30.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.098 1.359 . . . . 0.0 111.72 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.17 -59.64 4.18 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.173 0.989 . . . . 0.0 109.65 173.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.4 -30.39 68.42 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.345 0.593 . . . . 0.0 112.21 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -75.77 -26.04 56.99 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.585 1.554 . . . . 0.0 111.007 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.18 84.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.922 1.237 . . . . 0.0 108.19 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -55.76 -59.61 4.62 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.78 -42.58 58.06 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.105 0.962 . . . . 0.0 112.397 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.97 76.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.998 0.919 . . . . 0.0 110.54 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.64 -36.73 84.77 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.277 0.944 . . . . 0.0 111.679 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.65 -45.29 93.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.54 1.936 . . . . 0.0 109.888 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.31 -43.82 85.15 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 125.183 1.393 . . . . 0.0 110.697 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -58.94 -36.88 64.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.321 1.449 . . . . 0.0 110.454 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.08 84.14 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.378 0.99 . . . . 0.0 111.334 174.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.7 88.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.484 0.714 . . . . 0.0 111.246 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -60.06 -44.89 94.4 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 127.603 2.361 . . . . 0.0 110.366 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.83 -46.28 78.16 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 122.729 0.412 . . . . 0.0 110.157 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -61.54 -54.78 38.68 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 123.642 0.777 . . . . 0.0 110.653 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.84 72.08 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 125.009 1.324 . . . . 0.0 111.358 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.79 83.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.052 0.941 . . . . 0.0 110.82 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.31 83.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.174 0.59 . . . . 0.0 109.875 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -70.3 -32.08 69.69 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.548 1.939 . . . . 0.0 112.596 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.12 -32.02 72.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.657 1.117 . . . . 0.0 109.778 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 173.98 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 116.46 -1.733 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 t -50.28 -29.2 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 121.803 2.092 . . . . 0.0 112.205 -173.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.15 -65.86 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.419 1.009 . . . . 0.0 110.769 173.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 m -67.86 -44.8 76.28 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.902 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -52.96 -39.17 62.74 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 126.0 1.72 . . . . 0.0 111.539 174.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.83 96.14 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 119.899 1.227 . . . . 0.0 111.146 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -65.77 -48.67 71.04 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 121.478 -0.764 . . . . 0.0 109.02 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.16 -34.18 63.59 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.1 1.36 . . . . 0.0 111.586 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.8 87.75 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.592 1.157 . . . . 0.0 111.127 174.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.61 90.8 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.427 -0.796 . . . . 0.0 109.379 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.87 -36.11 82.83 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.683 1.593 . . . . 0.0 111.642 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.9 -54.3 40.73 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 124.932 1.293 . . . . 0.0 109.147 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.46 -32.0 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 124.332 1.053 . . . . 0.0 110.658 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -51.56 62.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 119.503 1.047 . . . . 0.0 110.16 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.97 94.23 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.649 0.78 . . . . 0.0 110.306 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -62.15 -42.43 99.24 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.726 1.61 . . . . 0.0 113.176 173.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.15 95.01 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.494 1.043 . . . . 0.0 110.796 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -63.58 -59.6 4.41 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.21 -39.82 45.47 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.847 1.259 . . . . 0.0 112.221 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.17 79.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.769 1.228 . . . . 0.0 111.349 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.44 -36.61 81.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.699 0.761 . . . . 0.0 110.975 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.22 -43.17 99.3 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.885 1.274 . . . . 0.0 110.0 173.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tt -65.24 -46.59 79.98 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.274 1.43 . . . . 0.0 110.061 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -55.05 -44.03 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.764 1.226 . . . . 0.0 111.306 174.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.77 62.47 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.706 1.139 . . . . 0.0 110.717 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 -27.49 68.78 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.575 -0.703 . . . . 0.0 111.509 175.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -73.97 -24.71 59.65 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 124.669 1.188 . . . . 0.0 112.242 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.63 77.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 120.367 1.44 . . . . 0.0 108.712 173.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -60.75 -54.96 38.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.58 67.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.171 0.988 . . . . 0.0 112.143 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.33 -38.38 87.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 119.025 0.829 . . . . 0.0 110.791 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.94 85.92 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 121.418 -0.802 . . . . 0.0 110.406 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -59.51 -43.52 93.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.907 1.683 . . . . 0.0 110.653 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.02 93.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.642 1.177 . . . . 0.0 110.348 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.343 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.205 -1.261 0 CA-C-O 116.06 -1.924 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.6 t -47.09 -34.12 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 121.755 2.07 . . . . 0.0 113.219 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -66.29 0.56 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.244 0.929 . . . . 0.0 110.524 173.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.7 m -67.34 -38.19 84.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.777 -0.577 . . . . 0.0 112.302 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.87 -37.67 77.07 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.958 1.703 . . . . 0.0 110.627 173.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 120.143 1.338 . . . . 0.0 110.211 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -62.34 -55.33 29.12 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.5 62.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.787 1.235 . . . . 0.0 111.553 -177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -50.69 64.59 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 124.818 1.247 . . . . 0.0 111.352 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.43 87.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.198 0.908 . . . . 0.0 111.224 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.5 -44.02 93.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.743 1.617 . . . . 0.0 109.907 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -44.54 76.79 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.753 0.821 . . . . 0.0 109.866 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.85 -34.94 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 120.949 -1.094 . . . . 0.0 110.679 174.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.14 82.16 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.905 1.229 . . . . 0.0 111.217 173.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.41 94.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.255 0.622 . . . . 0.0 110.619 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -65.51 -34.93 79.41 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 125.634 1.574 . . . . 0.0 111.285 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.87 97.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.34 0.973 . . . . 0.0 110.21 174.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -62.11 -54.37 42.18 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.45 70.34 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.623 0.769 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.74 91.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.943 0.897 . . . . 0.0 110.927 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.31 98.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.915 0.486 . . . . 0.0 110.641 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.39 -40.26 93.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.172 1.789 . . . . 0.0 111.392 173.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.26 -53.21 59.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.701 0.8 . . . . 0.0 109.104 175.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.56 -35.51 63.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.133 0.973 . . . . 0.0 110.552 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.22 58.14 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.573 1.079 . . . . 0.0 110.93 176.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.52 91.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.462 -0.774 . . . . 0.0 110.509 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.78 -22.31 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 113.204 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.15 66.91 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -54.49 46.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.52 1.128 . . . . 0.0 108.982 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.6 76.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.365 1.066 . . . . 0.0 112.227 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.61 77.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.057 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.07 -43.74 95.25 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.654 0.661 . . . . 0.0 110.273 174.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.11 -49.22 78.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.846 1.659 . . . . 0.0 109.553 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.485 1.114 . . . . 0.0 111.302 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 CA--C 1.532 0.28 0 C-N-CA 123.496 0.718 . . . . 0.0 109.478 174.019 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 117.409 -1.281 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -52.78 -27.18 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 121.303 1.865 . . . . 0.0 113.36 -172.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.13 -58.83 4.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.404 1.002 . . . . 0.0 110.236 173.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 p -70.58 -43.25 69.81 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.299 0.64 . . . . 0.0 112.214 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.67 -45.59 73.9 Favored 'General case' 0 N--CA 1.46 0.029 0 CA-C-N 120.163 1.347 . . . . 0.0 110.937 173.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.52 95.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.156 0.889 . . . . 0.0 110.981 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -57.44 -57.94 10.48 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 123.447 0.699 . . . . 0.0 109.39 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.31 -39.12 66.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.533 1.533 . . . . 0.0 110.87 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.44 93.36 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 119.502 1.047 . . . . 0.0 111.479 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.51 90.06 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.555 -0.715 . . . . 0.0 110.938 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -60.45 -45.68 92.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.559 1.543 . . . . 0.0 111.594 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.53 -50.17 74.75 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.541 1.136 . . . . 0.0 108.705 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.95 -35.79 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 118.314 -0.85 . . . . 0.0 111.449 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.86 90.79 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 120.677 1.581 . . . . 0.0 111.328 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.21 97.17 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.706 0.802 . . . . 0.0 110.645 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -60.22 -45.99 91.31 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 124.886 1.274 . . . . 0.0 110.329 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.7 71.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.846 0.858 . . . . 0.0 110.231 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -65.95 -62.7 1.35 Allowed 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.46 -35.54 52.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.277 1.031 . . . . 0.0 112.221 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.1 -53.59 29.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.819 2.047 . . . . 0.0 109.688 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.26 73.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.689 1.131 . . . . 0.0 111.914 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -68.82 -39.06 80.22 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.61 1.964 . . . . 0.0 109.874 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 tt -69.3 -38.06 78.09 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 120.911 -1.118 . . . . 0.0 110.644 173.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.18 -37.37 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 126.546 1.938 . . . . 0.0 109.103 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.6 76.89 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.621 1.1 . . . . 0.0 110.158 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.63 92.05 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 121.826 -0.546 . . . . 0.0 111.44 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -61.72 -38.04 86.42 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.34 1.856 . . . . 0.0 111.448 174.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.45 -48.53 74.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -55.76 -63.74 1.08 Allowed 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.49 -32.99 63.3 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.515 1.526 . . . . 0.0 113.03 -174.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.52 -49.33 33.62 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 119.069 0.85 . . . . 0.0 110.534 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.89 81.47 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.792 0.837 . . . . 0.0 110.833 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.18 -53.98 47.5 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.701 2.0 . . . . 0.0 107.473 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.21 -32.38 66.44 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.068 0.849 . . . . 0.0 112.686 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.27 -55.25 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.432 1.093 . . . . 0.0 108.943 174.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.73 80.8 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.805 0.842 . . . . 0.0 111.281 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -67.95 -9.3 44.18 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.7 1.6 . . . . 0.0 112.868 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 120.216 1.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 C--O 1.209 -1.042 0 CA-C-O 116.824 -1.56 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.33 -23.02 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 121.603 2.002 . . . . 0.0 112.124 -170.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.04 -59.95 2.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.524 -1.36 . . . . 0.0 109.142 173.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -61.23 -55.43 32.08 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.605 1.162 . . . . 0.0 111.034 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.32 -34.01 66.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.269 1.828 . . . . 0.0 112.429 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.28 65.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 120.685 1.584 . . . . 0.0 111.122 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -60.62 -50.06 75.04 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.28 -42.54 70.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.694 1.597 . . . . 0.0 110.234 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -36.3 83.71 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.048 0.84 . . . . 0.0 112.349 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.21 74.64 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 119.232 0.924 . . . . 0.0 109.329 174.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -58.29 -38.18 76.5 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.608 1.563 . . . . 0.0 111.174 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.24 -57.46 10.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.149 1.379 . . . . 0.0 109.295 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.3 t -58.9 -30.47 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.174 1.389 . . . . 0.0 111.445 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.59 -55.58 11.1 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.88 1.272 . . . . 0.0 110.671 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.13 73.57 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.415 0.626 . . . . 0.0 110.36 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -73.2 -30.78 63.76 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.514 1.526 . . . . 0.0 112.576 175.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.75 90.57 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 120.55 1.523 . . . . 0.0 109.45 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -67.4 -58.51 4.65 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.3 -38.21 57.83 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.757 1.223 . . . . 0.0 113.06 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.04 -53.37 39.33 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.696 1.198 . . . . 0.0 109.342 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.44 -32.85 74.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.798 0.726 . . . . 0.0 111.946 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.05 -43.92 94.05 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.28 1.432 . . . . 0.0 109.842 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.12 -45.56 88.06 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.676 1.191 . . . . 0.0 110.603 174.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.63 -36.26 64.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 125.526 1.53 . . . . 0.0 110.215 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.15 83.02 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.311 1.414 . . . . 0.0 110.456 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.87 88.91 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.279 -0.888 . . . . 0.0 110.619 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -66.37 -30.96 71.46 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 125.759 1.624 . . . . 0.0 110.403 174.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.32 -53.81 42.95 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 174.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -53.66 -62.39 1.68 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 126.122 1.769 . . . . 0.0 110.027 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.5 82.27 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.224 2.209 . . . . 0.0 112.734 -174.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.75 -45.16 75.73 Favored 'General case' 0 CA--C 1.526 0.053 0 CA-C-N 119.133 0.879 . . . . 0.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.18 -40.14 84.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.933 0.493 . . . . 0.0 110.149 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -61.44 -44.65 96.75 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.762 0.825 . . . . 0.0 111.002 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.69 84.55 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.721 1.146 . . . . 0.0 111.32 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.42 -47.55 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.73 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.39 90.75 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.865 0.866 . . . . 0.0 111.11 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -66.47 -9.04 30.36 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.211 1.004 . . . . 0.0 111.982 174.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 120.392 1.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.209 -1.075 0 CA-C-O 116.332 -1.794 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 t -48.42 -34.48 5.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.491 0 CA-C-N 121.435 1.925 . . . . 0.0 112.261 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.21 -62.83 1.5 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.926 0.784 . . . . 0.0 111.865 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -66.07 -42.25 89.69 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.462 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.58 -39.18 92.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 126.562 1.945 . . . . 0.0 113.442 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.97 70.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.79 1.177 . . . . 0.0 110.062 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -56.2 -55.32 34.6 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.21 -33.76 67.85 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.592 1.157 . . . . 0.0 111.347 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.37 94.11 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 120.058 1.299 . . . . 0.0 112.136 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.87 83.84 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.308 -0.87 . . . . 0.0 110.189 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.07 -43.67 91.46 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.151 1.381 . . . . 0.0 111.303 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.14 -51.3 69.87 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.849 1.26 . . . . 0.0 109.614 174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.06 -39.74 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 117.063 -1.446 . . . . 0.0 111.39 173.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.94 -54.35 43.03 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 120.245 1.384 . . . . 0.0 110.341 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.01 -45.25 79.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.303 0.641 . . . . 0.0 110.275 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -61.16 -40.19 92.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 125.357 1.463 . . . . 0.0 113.816 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.01 -33.07 71.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 119.223 0.919 . . . . 0.0 110.698 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -65.23 -53.68 40.82 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.75 62.11 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.976 1.31 . . . . 0.0 111.62 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.42 -48.6 72.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.371 1.068 . . . . 0.0 110.893 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.98 86.99 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.975 0.807 . . . . 0.0 111.341 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -61.42 -43.82 98.21 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.281 1.432 . . . . 0.0 110.108 174.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.58 -47.35 76.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.267 1.427 . . . . 0.0 110.49 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.0 -35.99 54.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 124.574 1.15 . . . . 0.0 110.054 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.51 85.73 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 120.441 1.473 . . . . 0.0 111.77 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.95 93.2 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.183 -0.948 . . . . 0.0 110.343 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -65.64 -27.26 68.25 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.758 1.223 . . . . 0.0 112.948 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.0 95.59 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.327 0.967 . . . . 0.0 109.004 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -64.14 -53.12 54.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.132 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.66 -47.97 49.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.687 1.595 . . . . 0.0 112.123 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.84 77.38 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.477 0.711 . . . . 0.0 110.609 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.7 84.29 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.408 0.683 . . . . 0.0 110.762 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -53.68 -54.68 34.44 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.673 1.989 . . . . 0.0 110.031 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.82 78.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.54 0.736 . . . . 0.0 112.22 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.8 t -67.26 -57.54 9.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 119.044 0.838 . . . . 0.0 108.927 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.02 -46.5 82.31 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.705 0.802 . . . . 0.0 110.448 -176.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -95.79 36.01 1.33 Allowed 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.301 1.041 . . . . 0.0 110.443 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 121.447 -0.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 . . . . . 0 C--O 1.206 -1.189 0 CA-C-O 116.747 -1.597 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t -51.96 -31.22 13.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 121.074 1.761 . . . . 0.0 112.026 -169.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.34 -59.49 4.31 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.593 1.088 . . . . 0.0 111.624 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.3 t -59.68 -51.98 67.49 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.626 1.57 . . . . 0.0 110.325 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.01 -44.86 96.79 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 126.678 1.991 . . . . 0.0 111.499 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.8 -33.84 76.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 119.859 1.209 . . . . 0.0 111.161 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -53.99 51.16 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 121.383 -0.823 . . . . 0.0 108.813 174.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.21 -37.52 69.77 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 124.051 0.94 . . . . 0.0 111.235 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.12 88.85 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 124.289 1.036 . . . . 0.0 111.779 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.77 -47.1 55.87 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 123.418 0.687 . . . . 0.0 110.096 174.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.72 -38.4 81.57 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.437 1.495 . . . . 0.0 111.352 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.97 -54.78 42.78 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.601 1.161 . . . . 0.0 109.673 173.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.89 -35.62 57.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 124.45 1.1 . . . . 0.0 110.876 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.68 70.6 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 119.313 0.96 . . . . 0.0 110.209 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.41 89.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.433 0.635 . . . . 0.0 109.698 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -63.96 -24.96 67.93 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.026 1.33 . . . . 0.0 112.311 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.64 97.31 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.726 1.148 . . . . 0.0 109.636 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -72.44 -46.88 52.96 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.27 -33.08 62.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.217 0.607 . . . . 0.0 112.206 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.68 70.96 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.289 1.436 . . . . 0.0 109.834 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.1 94.54 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.67 0.388 . . . . 0.0 111.474 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.35 -44.15 92.72 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.198 1.799 . . . . 0.0 110.015 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.1 -47.89 78.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.107 0.963 . . . . 0.0 110.151 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.15 -38.42 74.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.015 1.326 . . . . 0.0 110.748 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.24 90.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.251 0.932 . . . . 0.0 110.891 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.37 92.73 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.627 -0.67 . . . . 0.0 110.628 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -58.78 -30.14 67.35 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.721 1.208 . . . . 0.0 111.752 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.64 97.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.389 0.995 . . . . 0.0 110.408 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -51.28 61.87 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.73 63.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.816 1.246 . . . . 0.0 112.496 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.12 -52.09 31.77 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.937 0.895 . . . . 0.0 109.66 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.75 -34.54 71.5 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.597 0.635 . . . . 0.0 112.302 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -65.94 -52.93 45.46 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.695 1.598 . . . . 0.0 108.797 174.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.03 77.68 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 118.673 0.67 . . . . 0.0 112.303 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 t -57.99 -58.92 4.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 125.855 1.662 . . . . 0.0 108.633 173.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.37 79.81 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.422 0.689 . . . . 0.0 111.517 -177.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -69.38 -8.96 51.13 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.31 1.044 . . . . 0.0 112.468 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 120.181 1.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 116.783 -1.579 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t -50.37 -31.07 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 120.735 1.607 . . . . 0.0 113.16 -173.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.33 -65.21 0.71 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 119.694 1.134 . . . . 0.0 110.246 173.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.3 t -57.43 -50.21 73.74 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.776 0.83 . . . . 0.0 110.111 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -33.4 71.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.213 1.805 . . . . 0.0 112.465 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.41 71.46 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 120.387 1.449 . . . . 0.0 108.765 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -57.12 -57.8 10.98 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.33 1.052 . . . . 0.0 109.027 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.23 72.74 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.322 1.449 . . . . 0.0 110.935 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.07 93.47 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 120.252 1.387 . . . . 0.0 112.087 176.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.07 -42.59 84.43 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.375 -0.828 . . . . 0.0 109.966 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.55 -30.66 71.69 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.808 1.243 . . . . 0.0 111.532 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -67.64 -46.66 71.81 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.312 1.445 . . . . 0.0 109.287 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.36 -34.55 64.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 125.713 1.605 . . . . 0.0 111.54 174.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -52.04 55.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.122 0.874 . . . . 0.0 109.583 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.33 -37.26 69.72 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.088 0.555 . . . . 0.0 111.113 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -64.51 -44.11 91.95 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.2 1.4 . . . . 0.0 111.416 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.33 -44.1 83.94 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.448 0.699 . . . . 0.0 110.021 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -63.88 -57.89 8.46 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.99 -40.17 60.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.971 1.308 . . . . 0.0 112.838 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.63 -54.95 23.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.953 1.301 . . . . 0.0 109.476 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -33.77 73.71 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.414 0.552 . . . . 0.0 111.927 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.11 -46.17 82.14 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.32 1.848 . . . . 0.0 110.829 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.53 -46.46 88.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.222 1.009 . . . . 0.0 110.348 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.14 -32.6 56.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.423 1.089 . . . . 0.0 110.071 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.48 -38.28 80.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 119.437 1.017 . . . . 0.0 111.799 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.95 -48.25 71.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 119.028 0.831 . . . . 0.0 109.299 173.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -52.07 -39.19 59.3 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.723 1.209 . . . . 0.0 110.651 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.02 -50.66 72.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.866 0.757 . . . . 0.0 110.478 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -56.43 15.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.25 -39.51 72.68 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 124.257 1.023 . . . . 0.0 112.251 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.83 76.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.388 1.075 . . . . 0.0 111.05 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.79 98.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.782 0.833 . . . . 0.0 110.443 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -60.15 -43.67 95.57 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.047 1.739 . . . . 0.0 110.804 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.24 98.15 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.109 0.564 . . . . 0.0 110.847 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t -66.16 -41.24 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.333 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.08 -47.91 79.86 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.74 0.7 . . . . 0.0 109.651 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -71.36 2.81 4.35 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 174.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 120.688 1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.205 -1.261 0 CA-C-O 116.06 -1.924 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.6 t -47.09 -34.12 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 121.755 2.07 . . . . 0.0 113.219 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -66.29 0.56 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.244 0.929 . . . . 0.0 110.524 173.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.7 m -67.34 -38.19 84.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.777 -0.577 . . . . 0.0 112.302 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.87 -37.67 77.07 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.958 1.703 . . . . 0.0 110.627 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 120.143 1.338 . . . . 0.0 110.211 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -62.34 -55.33 29.12 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.5 62.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.787 1.235 . . . . 0.0 111.553 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -50.69 64.59 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 124.818 1.247 . . . . 0.0 111.352 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.43 87.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.198 0.908 . . . . 0.0 111.224 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.5 -44.02 93.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.743 1.617 . . . . 0.0 109.907 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -44.54 76.79 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.753 0.821 . . . . 0.0 109.866 178.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.85 -34.94 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 120.949 -1.094 . . . . 0.0 110.679 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.14 82.16 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.905 1.229 . . . . 0.0 111.217 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.41 94.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.255 0.622 . . . . 0.0 110.619 174.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -65.51 -34.93 79.41 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 125.634 1.574 . . . . 0.0 111.285 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.87 97.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.34 0.973 . . . . 0.0 110.21 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -62.11 -54.37 42.18 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.45 70.34 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.623 0.769 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.74 91.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.943 0.897 . . . . 0.0 110.927 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.31 98.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.915 0.486 . . . . 0.0 110.641 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.39 -40.26 93.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.172 1.789 . . . . 0.0 111.392 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.26 -53.21 59.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.701 0.8 . . . . 0.0 109.104 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.56 -35.51 63.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.133 0.973 . . . . 0.0 110.552 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.22 58.14 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.573 1.079 . . . . 0.0 110.93 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.52 91.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.462 -0.774 . . . . 0.0 110.509 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.78 -22.31 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 113.204 173.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.15 66.91 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -54.49 46.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.52 1.128 . . . . 0.0 108.982 175.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.6 76.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.365 1.066 . . . . 0.0 112.227 -175.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.61 77.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.057 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.07 -43.74 95.25 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.654 0.661 . . . . 0.0 110.273 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.11 -49.22 78.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.846 1.659 . . . . 0.0 109.553 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.485 1.114 . . . . 0.0 111.302 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.3 -44.83 90.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.496 0.718 . . . . 0.0 109.478 174.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.75 -28.87 70.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.782 0.719 . . . . 0.0 112.005 175.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -81.53 -3.12 52.27 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.402 1.081 . . . . 0.0 111.546 173.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 120.703 1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 115.756 -2.069 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.35 -28.33 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 122.287 2.312 . . . . 0.0 112.535 -172.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.17 -60.93 2.33 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.94 1.246 . . . . 0.0 110.541 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -60.78 -51.53 68.96 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.984 0.514 . . . . 0.0 110.28 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.13 -35.56 71.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.317 1.447 . . . . 0.0 112.863 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 -34.41 59.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 120.128 1.331 . . . . 0.0 111.49 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -59.82 -52.84 63.71 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.5 66.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.363 1.465 . . . . 0.0 110.884 174.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.76 95.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 119.81 1.187 . . . . 0.0 111.375 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.76 76.73 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.794 -1.192 . . . . 0.0 109.93 174.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.99 -31.58 72.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.905 0.882 . . . . 0.0 110.686 173.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.72 -48.09 70.3 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.178 0.991 . . . . 0.0 108.63 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.06 -32.26 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.308 1.443 . . . . 0.0 111.603 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -50.13 50.64 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.449 1.1 . . . . 0.0 110.296 174.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.9 71.11 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.513 0.725 . . . . 0.0 109.776 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.55 -37.81 80.26 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.952 1.701 . . . . 0.0 113.103 173.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.44 87.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 120.16 1.346 . . . . 0.0 109.624 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -65.29 -66.23 0.57 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.241 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.76 68.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.09 69.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.437 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.91 81.07 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.006 0.821 . . . . 0.0 110.446 176.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -60.64 -43.88 97.05 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.657 1.583 . . . . 0.0 110.006 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.47 -46.84 74.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.829 0.852 . . . . 0.0 110.243 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.11 -36.45 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.585 1.154 . . . . 0.0 110.899 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 -52.27 63.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.786 0.721 . . . . 0.0 110.441 176.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.87 83.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.99 0.916 . . . . 0.0 111.556 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.74 -33.4 68.41 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 125.075 1.35 . . . . 0.0 110.937 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.72 89.62 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.388 0.995 . . . . 0.0 109.849 174.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -59.46 -58.07 10.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.1 -38.05 64.93 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.983 0.913 . . . . 0.0 112.033 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.29 -49.26 70.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.327 0.651 . . . . 0.0 110.354 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.13 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.439 0.696 . . . . 0.0 110.3 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.45 -46.03 87.38 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.678 1.591 . . . . 0.0 110.661 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.94 70.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.93 0.786 . . . . 0.0 111.815 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.3 -53.47 32.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 119.946 1.248 . . . . 0.0 108.068 173.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.24 -29.98 70.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.434 1.094 . . . . 0.0 112.275 -177.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -66.93 -12.14 58.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.165 0.986 . . . . 0.0 112.37 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 120.396 1.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--O 1.209 -1.039 0 CA-C-O 116.322 -1.799 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.28 -33.8 21.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 121.32 1.873 . . . . 0.0 112.279 -169.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.26 -57.92 6.5 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 119.568 1.077 . . . . 0.0 111.129 173.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -52.26 65.98 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.417 0.287 . . . . 0.0 110.694 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.6 -38.95 67.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.621 1.968 . . . . 0.0 111.558 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.59 -49.59 65.86 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -57.27 -57.03 14.4 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 123.366 0.666 . . . . 0.0 109.286 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.9 80.01 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.155 1.382 . . . . 0.0 111.03 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.3 99.17 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.092 0.557 . . . . 0.0 111.599 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.61 -41.64 83.68 Favored 'General case' 0 C--O 1.225 -0.19 0 O-C-N 121.481 -0.762 . . . . 0.0 110.528 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.0 -44.52 94.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.013 2.125 . . . . 0.0 110.777 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.87 -50.21 71.25 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.506 0.723 . . . . 0.0 109.858 174.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.21 -29.83 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.073 0.949 . . . . 0.0 111.688 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.24 80.13 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.308 1.043 . . . . 0.0 109.6 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.97 95.87 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 123.791 0.836 . . . . 0.0 109.841 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -53.64 -39.18 64.79 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 125.18 1.392 . . . . 0.0 111.214 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.62 71.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.051 0.841 . . . . 0.0 110.437 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -75.7 -52.05 11.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.416 0.686 . . . . 0.0 109.328 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -44.23 81.08 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.556 1.542 . . . . 0.0 112.371 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.05 -41.76 90.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.08 82.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.913 0.778 . . . . 0.0 111.876 175.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -63.87 -39.95 95.4 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.676 1.99 . . . . 0.0 109.947 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.2 -46.44 80.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.66 1.184 . . . . 0.0 110.046 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.07 -34.65 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 126.153 1.781 . . . . 0.0 110.983 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.5 82.9 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.529 1.059 . . . . 0.0 110.95 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.3 96.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.797 0.439 . . . . 0.0 111.057 174.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -57.19 -42.13 80.63 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 124.773 1.229 . . . . 0.0 109.938 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.14 90.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 118.466 0.575 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -63.53 -61.71 2.15 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 174.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.7 -35.16 60.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.548 1.139 . . . . 0.0 112.52 -175.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.34 -53.48 29.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.043 0.937 . . . . 0.0 110.369 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.37 -43.12 78.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.422 0.689 . . . . 0.0 110.461 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.94 -41.21 97.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.961 2.105 . . . . 0.0 110.972 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.93 -28.95 66.0 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 121.52 -0.738 . . . . 0.0 111.377 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.0 -49.76 47.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.8 -50.96 67.24 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.244 1.417 . . . . 0.0 110.561 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -96.5 40.33 1.13 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.096 0.958 . . . . 0.0 111.003 173.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 120.755 -1.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 C--O 1.203 -1.345 0 CA-C-O 116.534 -1.698 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.78 -28.07 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 121.615 2.007 . . . . 0.0 112.153 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.13 -59.36 4.19 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.197 -0.939 . . . . 0.0 110.321 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.3 p -62.56 -51.06 68.87 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -56.97 -33.75 67.37 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 126.827 2.051 . . . . 0.0 111.94 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -39.93 68.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 119.953 1.252 . . . . 0.0 111.096 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' O ' ' HE3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.32 -49.96 69.68 Favored 'General case' 0 C--O 1.226 -0.177 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 176.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.37 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 126.145 1.778 . . . . 0.0 110.112 174.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.98 90.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.579 1.081 . . . . 0.0 111.851 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.84 72.66 Favored 'General case' 0 C--O 1.227 -0.113 0 O-C-N 121.32 -0.862 . . . . 0.0 109.664 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.94 -33.3 70.43 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.537 1.535 . . . . 0.0 111.175 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tt -64.84 -58.19 6.86 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.388 1.875 . . . . 0.0 108.867 173.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.36 -30.87 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.406 1.082 . . . . 0.0 111.854 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.83 -48.74 35.29 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.736 1.615 . . . . 0.0 111.208 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.1 80.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.195 0.521 . . . . 0.0 109.819 174.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -67.94 -35.94 79.26 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 125.26 1.424 . . . . 0.0 110.756 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.76 91.69 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 120.117 1.326 . . . . 0.0 110.656 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -65.67 -57.8 7.22 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.88 -35.09 61.2 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.776 1.23 . . . . 0.0 112.418 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.21 -52.6 64.1 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.016 1.326 . . . . 0.0 110.316 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.24 85.15 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.619 0.768 . . . . 0.0 111.56 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.21 -44.75 96.78 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.93 1.292 . . . . 0.0 109.77 174.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.76 -43.4 84.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.533 1.133 . . . . 0.0 110.823 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.72 -40.74 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.589 1.155 . . . . 0.0 110.319 174.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.71 93.38 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.065 1.302 . . . . 0.0 110.818 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.63 79.23 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.981 -1.074 . . . . 0.0 111.756 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -68.04 -23.56 64.99 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.466 1.507 . . . . 0.0 111.836 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.88 83.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -63.68 -51.98 62.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.95 -41.97 62.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.637 1.175 . . . . 0.0 112.165 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.6 78.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.341 0.519 . . . . 0.0 111.419 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.17 93.45 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 118.648 0.658 . . . . 0.0 111.437 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.3 -46.01 91.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.521 1.928 . . . . 0.0 109.872 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.14 -48.04 77.6 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.195 -0.941 . . . . 0.0 110.783 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.4 t -57.62 -43.56 83.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.886 0.875 . . . . 0.0 109.185 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.6 88.19 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.953 0.901 . . . . 0.0 111.886 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -77.92 -0.53 27.89 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.404 -0.81 . . . . 0.0 112.568 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 O-C-N 120.423 -1.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 . . . . . 0 CA--C 1.497 -1.075 0 CA-C-O 116.693 -1.623 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.16 -31.86 22.44 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-N 121.474 1.943 . . . . 0.0 111.972 -170.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.16 -48.72 78.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 119.205 0.912 . . . . 0.0 112.627 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -73.91 -48.6 29.66 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.787 0.721 . . . . 0.0 111.55 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.67 -35.18 78.84 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.634 1.574 . . . . 0.0 111.803 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.03 89.08 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 119.947 1.249 . . . . 0.0 110.7 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -61.22 -56.44 20.62 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 123.949 0.899 . . . . 0.0 108.853 175.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.54 -34.79 73.09 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.833 1.253 . . . . 0.0 111.377 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.24 -49.6 71.29 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.299 1.04 . . . . 0.0 109.94 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.42 98.61 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 122.765 0.426 . . . . 0.0 111.001 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.55 -40.31 92.73 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 125.11 1.364 . . . . 0.0 110.888 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.58 -44.83 92.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.815 -0.553 . . . . 0.0 110.159 173.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.32 -42.19 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.344 1.058 . . . . 0.0 110.419 175.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.92 -49.91 75.84 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.302 0.955 . . . . 0.0 109.727 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.57 -44.63 89.8 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.285 0.493 . . . . 0.0 111.141 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.73 -30.05 71.05 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 127.101 2.161 . . . . 0.0 111.665 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.74 -33.05 72.33 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.825 1.193 . . . . 0.0 110.691 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -68.69 -54.03 18.64 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.342 1.057 . . . . 0.0 108.824 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.25 62.63 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.322 1.049 . . . . 0.0 112.119 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.87 81.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.099 1.36 . . . . 0.0 110.357 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.18 86.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.165 0.507 . . . . 0.0 111.5 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.09 -43.84 98.28 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.049 1.339 . . . . 0.0 108.868 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.09 -39.54 95.01 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.773 174.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.7 t -59.64 -37.45 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.648 1.567 . . . . 0.0 110.476 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.42 70.85 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 119.218 0.917 . . . . 0.0 110.758 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.68 80.25 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.94 -0.475 . . . . 0.0 110.944 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -62.13 -36.08 80.69 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.162 2.185 . . . . 0.0 111.497 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.56 -44.6 77.84 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.595 1.089 . . . . 0.0 110.339 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -57.93 -55.89 29.09 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.713 0.768 . . . . 0.0 109.088 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.65 -28.87 64.11 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.619 1.168 . . . . 0.0 112.756 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.8 -41.58 62.15 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 119.618 1.099 . . . . 0.0 110.465 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.43 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.653 0.661 . . . . 0.0 109.293 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.75 -41.44 95.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.974 1.31 . . . . 0.0 110.067 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.89 85.28 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.937 0.895 . . . . 0.0 111.853 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 t -64.73 -47.07 90.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.977 1.311 . . . . 0.0 109.539 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.4 91.04 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.314 0.578 . . . . 0.0 110.144 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -72.08 7.63 1.59 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.396 1.478 . . . . 0.0 112.892 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 120.179 1.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 CA--C 1.501 -0.913 0 CA-C-O 116.716 -1.611 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.4 t -49.38 -37.62 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 121.352 1.887 . . . . 0.0 112.177 -169.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.62 -60.04 4.28 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.745 0.702 . . . . 0.0 111.752 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.6 m -65.03 -44.03 90.48 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.271 -0.893 . . . . 0.0 112.317 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.81 -34.29 69.49 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.879 2.071 . . . . 0.0 111.002 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.63 -43.5 84.55 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -63.12 -50.7 69.42 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.54 -42.65 71.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.563 0.745 . . . . 0.0 110.916 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.54 82.6 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 118.654 0.661 . . . . 0.0 111.81 174.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.82 -36.64 64.96 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.208 -0.933 . . . . 0.0 111.677 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -63.42 -37.8 88.69 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.916 2.086 . . . . 0.0 110.157 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.18 -55.36 29.44 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.025 1.33 . . . . 0.0 109.186 173.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.8 t -61.34 -32.73 53.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.695 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.08 69.97 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.613 1.097 . . . . 0.0 110.934 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.66 -45.1 93.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.453 0.644 . . . . 0.0 109.794 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -66.2 -32.48 73.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.025 1.33 . . . . 0.0 111.488 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.38 98.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -61.55 -56.47 19.65 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 118.117 -0.944 . . . . 0.0 109.022 174.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.0 -46.51 68.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.984 1.713 . . . . 0.0 112.642 -174.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.87 -48.63 80.91 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.715 0.806 . . . . 0.0 109.528 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.38 -25.72 66.1 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.09 -40.73 74.78 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.185 1.794 . . . . 0.0 109.814 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.414 ' CD2' HD22 ' A' ' 27' ' ' ASN . 5.4 tt -64.2 -53.98 40.72 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.943 1.697 . . . . 0.0 109.114 174.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.34 -33.77 48.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 125.191 1.397 . . . . 0.0 111.374 175.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.89 74.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.768 1.167 . . . . 0.0 111.725 176.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.41 87.55 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.285 -0.885 . . . . 0.0 109.742 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.414 HD22 ' CD2' ' A' ' 23' ' ' LEU . 92.6 m-20 -63.58 -25.85 68.42 Favored 'General case' 0 C--O 1.225 -0.202 0 O-C-N 121.671 -0.643 . . . . 0.0 111.036 173.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.27 95.3 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.618 1.099 . . . . 0.0 109.299 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -60.1 -54.73 42.47 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.34 -45.51 55.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.493 1.117 . . . . 0.0 111.761 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.42 78.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.127 0.971 . . . . 0.0 112.338 -177.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.97 -49.71 27.53 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 119.445 1.02 . . . . 0.0 109.611 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -56.07 -39.84 72.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.862 1.665 . . . . 0.0 111.674 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.03 99.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.825 1.25 . . . . 0.0 110.543 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.68 -46.19 96.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.242 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.21 -48.84 80.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.783 0.833 . . . . 0.0 111.053 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 mtt85 -72.6 3.59 4.82 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.03 -1.044 . . . . 0.0 113.524 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 120.527 1.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 CA--C 1.498 -1.056 0 CA-C-O 116.405 -1.759 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.9 t -46.9 -38.33 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 121.425 1.92 . . . . 0.0 112.8 -170.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.7 -60.08 3.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.051 0.94 . . . . 0.0 113.039 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.6 t -58.73 -50.98 71.91 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.595 0.758 . . . . 0.0 109.631 177.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -51.06 -45.58 61.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.043 1.337 . . . . 0.0 110.857 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.01 82.95 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.117 0.871 . . . . 0.0 110.822 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -60.26 3.7 Favored 'General case' 0 C--N 1.339 0.112 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 174.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.74 -36.76 67.63 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.947 0.899 . . . . 0.0 111.734 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.65 93.87 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.998 1.719 . . . . 0.0 111.689 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.45 -40.3 77.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.991 0.517 . . . . 0.0 110.03 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.02 -40.54 93.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.456 1.503 . . . . 0.0 111.152 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.76 -47.09 87.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.253 1.021 . . . . 0.0 109.133 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.0 -36.28 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.065 1.346 . . . . 0.0 111.188 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.75 69.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.15 0.98 . . . . 0.0 109.8 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.55 84.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 119.02 0.827 . . . . 0.0 110.135 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -63.38 -19.25 64.51 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-O 117.952 -1.023 . . . . 0.0 112.887 176.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.02 91.57 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.588 1.085 . . . . 0.0 109.223 173.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.57 -57.86 8.79 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.63 -45.13 47.92 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.585 1.154 . . . . 0.0 111.507 -174.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.05 -54.98 39.63 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.441 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.49 82.82 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.509 1.049 . . . . 0.0 111.793 -177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -60.08 -50.28 74.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.223 1.809 . . . . 0.0 110.025 174.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.8 -46.67 84.12 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.797 1.639 . . . . 0.0 110.519 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.34 -35.83 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 126.097 1.759 . . . . 0.0 110.283 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.76 -50.52 66.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 119.633 1.106 . . . . 0.0 110.301 173.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.31 -29.22 69.74 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 122.179 -0.326 . . . . 0.0 111.771 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -75.97 -32.21 59.39 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 125.93 1.692 . . . . 0.0 112.457 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -42.03 87.21 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -60.64 -52.13 66.44 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.56 -41.26 60.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.126 0.97 . . . . 0.0 112.122 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -50.74 69.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.562 1.145 . . . . 0.0 110.645 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.16 87.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.706 0.802 . . . . 0.0 111.467 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -61.84 -41.23 97.55 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 126.026 1.73 . . . . 0.0 110.148 175.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.64 -41.97 92.0 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 121.238 -0.914 . . . . 0.0 110.067 177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.45 -59.52 3.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.945 0.898 . . . . 0.0 109.586 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.48 -36.08 63.28 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -173.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -134.21 -5.69 2.67 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.516 1.126 . . . . 0.0 113.478 -173.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 120.056 1.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.208 -1.123 0 CA-C-O 116.66 -1.638 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.36 -26.45 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-N 121.7 2.045 . . . . 0.0 113.27 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -59.35 3.38 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.851 1.205 . . . . 0.0 109.924 173.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 t -64.35 -53.57 46.57 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.397 1.079 . . . . 0.0 110.986 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.08 -34.64 57.47 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 127.029 2.132 . . . . 0.0 111.861 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.23 -42.87 79.11 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.257 0.935 . . . . 0.0 111.049 174.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -62.47 -50.36 71.74 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 123.129 0.572 . . . . 0.0 109.576 176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.72 -39.49 68.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.878 1.271 . . . . 0.0 110.527 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.27 85.77 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.274 -0.891 . . . . 0.0 112.262 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.92 82.47 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.459 -0.776 . . . . 0.0 110.329 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.21 -43.3 96.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.204 1.802 . . . . 0.0 110.006 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.84 -50.5 72.03 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 124.144 0.978 . . . . 0.0 109.143 174.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.8 t -57.72 -33.41 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 O-C-N 121.021 -1.049 . . . . 0.0 111.718 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.68 73.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.4 1.0 . . . . 0.0 110.731 173.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.25 96.09 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.512 -0.743 . . . . 0.0 109.035 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -63.68 -32.56 74.09 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 126.224 1.81 . . . . 0.0 110.5 174.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -49.24 72.63 Favored 'General case' 0 C--O 1.23 0.062 0 CA-C-N 120.125 1.33 . . . . 0.0 109.571 176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -61.6 -52.56 63.87 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.65 -44.1 72.95 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.929 0.892 . . . . 0.0 111.657 -176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.02 70.22 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 124.131 0.973 . . . . 0.0 109.463 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -41.63 89.37 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.843 0.747 . . . . 0.0 112.114 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -57.16 -50.9 71.4 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.956 2.102 . . . . 0.0 109.467 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.77 -40.59 97.06 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 125.193 1.397 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.9 -40.64 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 126.952 2.101 . . . . 0.0 110.501 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.45 82.02 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.089 0.859 . . . . 0.0 109.954 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.66 76.13 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.26 175.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -48.92 -42.47 37.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 126.417 1.887 . . . . 0.0 111.527 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.33 -52.95 57.53 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -75.95 -44.51 39.64 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.7 -40.31 72.23 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.229 1.411 . . . . 0.0 111.752 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.58 80.25 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.833 0.742 . . . . 0.0 109.89 174.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.04 73.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.878 0.871 . . . . 0.0 111.644 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -73.09 -40.46 64.97 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.73 2.412 . . . . 0.0 110.217 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.59 -30.84 67.52 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 120.163 1.347 . . . . 0.0 110.397 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.8 t -75.94 -64.93 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 124.307 1.043 . . . . 0.0 108.982 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.55 -57.68 11.3 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.833 1.653 . . . . 0.0 111.48 -173.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -90.01 47.27 1.43 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.994 2.117 . . . . 0.0 106.534 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 O-C-N 120.711 -1.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 C--O 1.206 -1.185 0 CA-C-O 115.736 -2.078 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.98 -28.43 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 123.05 2.659 . . . . 0.0 112.47 -170.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.58 -65.67 0.64 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.087 0.858 . . . . 0.0 110.203 173.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.1 m -68.72 -35.6 77.35 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.83 -39.74 92.85 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.81 1.644 . . . . 0.0 111.767 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.77 -42.65 85.76 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.859 0.754 . . . . 0.0 109.928 174.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -56.0 -59.23 5.2 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.36 -37.99 73.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.181 0.992 . . . . 0.0 111.615 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.86 94.18 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 118.769 0.713 . . . . 0.0 111.508 174.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.79 -35.97 64.99 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.538 -0.726 . . . . 0.0 111.124 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -62.39 -39.07 92.03 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.671 1.589 . . . . 0.0 109.962 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.46 -56.71 15.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.414 1.485 . . . . 0.0 110.187 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.15 -37.83 57.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.59 0.756 . . . . 0.0 111.005 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.97 -49.0 74.25 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.091 0.956 . . . . 0.0 111.06 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.29 98.87 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 119.064 0.847 . . . . 0.0 110.061 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -65.5 -17.5 64.6 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.243 1.017 . . . . 0.0 112.411 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.5 -50.05 68.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 119.93 1.241 . . . . 0.0 108.213 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -59.84 -59.97 4.59 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 124.936 1.294 . . . . 0.0 108.641 175.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.47 -37.11 64.85 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.51 -51.16 54.27 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.752 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.29 -37.1 74.35 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.96 1.254 . . . . 0.0 111.675 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -60.3 -45.18 94.27 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.48 1.512 . . . . 0.0 110.713 173.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -69.98 -40.93 75.06 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.825 1.25 . . . . 0.0 110.81 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.29 -37.1 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 109.495 174.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.42 81.42 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.514 1.052 . . . . 0.0 109.684 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.27 -25.35 68.02 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.375 -0.828 . . . . 0.0 112.805 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -75.34 -39.83 58.93 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 126.151 1.78 . . . . 0.0 109.2 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.4 98.92 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -56.34 -54.76 41.7 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 124.484 1.114 . . . . 0.0 108.881 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.12 -40.59 67.5 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.5 1.12 . . . . 0.0 112.406 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -51.26 65.08 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.21 73.88 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.594 1.158 . . . . 0.0 112.31 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.02 -42.89 79.97 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.664 1.986 . . . . 0.0 109.602 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.91 92.8 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.693 0.679 . . . . 0.0 110.664 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.67 -56.57 14.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.96 -52.97 58.99 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.038 1.335 . . . . 0.0 110.748 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -72.24 2.28 6.26 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.328 -0.858 . . . . 0.0 112.815 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 120.368 1.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 CA--C 1.492 -1.278 0 CA-C-O 116.55 -1.69 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.8 t -53.26 -31.54 18.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 120.721 1.601 . . . . 0.0 112.31 -169.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.32 -58.33 6.81 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 119.532 1.06 . . . . 0.0 110.577 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -69.13 -45.09 70.99 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -52.16 -54.23 33.33 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.468 1.507 . . . . 0.0 109.934 173.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.86 -33.33 70.33 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.112 0.869 . . . . 0.0 112.114 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.413 ' HZ1' ' CD ' ' A' ' 11' ' ' GLU . 8.8 tmtt? -60.84 -59.11 5.9 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.22 -37.34 74.66 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.386 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.81 96.71 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.394 1.078 . . . . 0.0 111.832 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.31 91.4 Favored 'General case' 0 C--N 1.337 0.039 0 O-C-N 121.189 -0.944 . . . . 0.0 110.056 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' CD ' ' HZ1' ' A' ' 7' ' ' LYS . 57.5 mt-10 -65.99 -28.8 69.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.863 0.865 . . . . 0.0 111.138 174.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.12 -52.61 26.47 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.512 -1.367 . . . . 0.0 109.864 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.63 -32.96 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.492 1.117 . . . . 0.0 110.304 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -56.01 18.43 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.884 1.22 . . . . 0.0 110.625 174.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.0 73.66 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.859 0.864 . . . . 0.0 111.297 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -66.59 -39.29 88.36 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.362 1.465 . . . . 0.0 112.829 173.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.09 75.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 119.554 1.07 . . . . 0.0 110.957 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -62.07 -57.31 12.06 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 173.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.68 60.94 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.138 0.975 . . . . 0.0 112.289 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -46.94 74.89 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.905 1.282 . . . . 0.0 110.665 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.29 79.86 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 118.98 0.809 . . . . 0.0 111.141 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -66.22 -35.44 80.45 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 124.79 1.236 . . . . 0.0 111.533 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -66.71 -52.31 46.0 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.832 1.653 . . . . 0.0 109.542 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.0 -40.37 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 126.215 1.806 . . . . 0.0 110.351 173.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.16 83.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.419 1.009 . . . . 0.0 111.078 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.59 98.9 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.729 -0.607 . . . . 0.0 110.867 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -60.62 -27.36 67.71 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 125.157 1.383 . . . . 0.0 113.224 174.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.96 98.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.498 1.045 . . . . 0.0 109.273 174.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -64.08 -56.26 16.25 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.58 58.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.825 0.85 . . . . 0.0 112.59 -177.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.42 -47.25 64.71 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.304 0.642 . . . . 0.0 110.685 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.99 86.25 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.77 0.828 . . . . 0.0 111.124 177.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.54 -57.41 12.84 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.245 2.218 . . . . 0.0 108.235 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.66 -38.62 67.14 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.061 0.846 . . . . 0.0 111.826 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.6 t -61.61 -55.77 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 123.792 0.837 . . . . 0.0 109.67 174.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.58 -30.2 71.22 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.994 0.918 . . . . 0.0 112.686 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -76.46 -1.45 27.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.44 1.096 . . . . 0.0 111.362 173.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 O-C-N 120.505 -1.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 CA--C 1.497 -1.074 0 CA-C-O 116.27 -1.824 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.15 -42.25 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 121.149 1.795 . . . . 0.0 112.191 -168.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.8 -60.72 3.26 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 119.341 0.973 . . . . 0.0 112.234 173.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.1 t -62.12 -52.38 64.08 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.413 0.685 . . . . 0.0 110.598 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -51.62 -41.61 61.39 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 126.812 2.045 . . . . 0.0 111.529 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.15 -41.86 80.97 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.897 0.879 . . . . 0.0 109.728 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -60.96 -55.98 26.49 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.34 -43.64 67.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.749 1.22 . . . . 0.0 109.976 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.46 -36.17 75.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.32 -42.29 54.9 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.284 0.634 . . . . 0.0 110.748 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -60.82 -38.93 87.14 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.336 1.854 . . . . 0.0 111.222 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.56 -54.52 45.6 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.326 1.851 . . . . 0.0 108.706 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.92 -34.35 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 124.1 0.96 . . . . 0.0 111.802 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.36 69.65 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.742 1.156 . . . . 0.0 110.698 176.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.88 88.96 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 122.076 0.941 . . . . 0.0 110.747 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -72.58 -19.7 61.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.435 1.094 . . . . 0.0 111.481 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -37.18 83.43 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 120.271 1.396 . . . . 0.0 108.83 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -52.1 64.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.88 -46.11 60.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.044 0.938 . . . . 0.0 111.313 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.89 71.65 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.024 1.33 . . . . 0.0 110.554 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.2 75.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.036 0.535 . . . . 0.0 112.079 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.08 -45.26 77.86 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.614 1.965 . . . . 0.0 110.924 173.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.03 -45.38 93.82 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.688 1.195 . . . . 0.0 109.591 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 t -60.98 -38.28 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 124.853 1.261 . . . . 0.0 110.779 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.47 77.53 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.371 1.442 . . . . 0.0 111.061 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.61 92.63 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 122.816 0.446 . . . . 0.0 110.264 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -57.63 -40.35 79.01 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 125.741 1.616 . . . . 0.0 110.667 175.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.32 93.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.414 0.686 . . . . 0.0 109.659 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -62.37 1.9 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.6 -42.73 64.82 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.014 1.725 . . . . 0.0 112.761 -174.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.11 -52.53 64.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.383 0.538 . . . . 0.0 110.429 174.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.72 90.27 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.548 0.739 . . . . 0.0 110.869 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -56.78 -51.2 69.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 127.356 2.262 . . . . 0.0 110.279 175.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.34 -30.89 71.94 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.622 0.769 . . . . 0.0 111.638 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.3 -48.86 40.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 119.404 1.002 . . . . 0.0 109.495 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.65 -63.22 1.34 Allowed 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.795 1.238 . . . . 0.0 110.412 -176.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -145.64 77.87 1.52 Allowed 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 122.047 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 115.756 -2.069 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.35 -28.33 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 122.287 2.312 . . . . 0.0 112.535 -172.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.17 -60.93 2.33 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.94 1.246 . . . . 0.0 110.541 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -60.78 -51.53 68.96 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.984 0.514 . . . . 0.0 110.28 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.13 -35.56 71.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.317 1.447 . . . . 0.0 112.863 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 -34.41 59.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 120.128 1.331 . . . . 0.0 111.49 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -59.82 -52.84 63.71 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.5 66.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.363 1.465 . . . . 0.0 110.884 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.76 95.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 119.81 1.187 . . . . 0.0 111.375 174.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.76 76.73 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.794 -1.192 . . . . 0.0 109.93 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.99 -31.58 72.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.905 0.882 . . . . 0.0 110.686 173.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.72 -48.09 70.3 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.178 0.991 . . . . 0.0 108.63 173.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.06 -32.26 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.308 1.443 . . . . 0.0 111.603 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -50.13 50.64 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.449 1.1 . . . . 0.0 110.296 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.9 71.11 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.513 0.725 . . . . 0.0 109.776 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.55 -37.81 80.26 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.952 1.701 . . . . 0.0 113.103 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.44 87.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 120.16 1.346 . . . . 0.0 109.624 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -65.29 -66.23 0.57 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.241 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.76 68.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.09 69.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.437 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.91 81.07 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.006 0.821 . . . . 0.0 110.446 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -60.64 -43.88 97.05 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.657 1.583 . . . . 0.0 110.006 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.47 -46.84 74.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.829 0.852 . . . . 0.0 110.243 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.11 -36.45 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.585 1.154 . . . . 0.0 110.899 174.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 -52.27 63.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.786 0.721 . . . . 0.0 110.441 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.87 83.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.99 0.916 . . . . 0.0 111.556 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.74 -33.4 68.41 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 125.075 1.35 . . . . 0.0 110.937 175.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.72 89.62 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.388 0.995 . . . . 0.0 109.849 174.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -59.46 -58.07 10.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.1 -38.05 64.93 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.983 0.913 . . . . 0.0 112.033 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.29 -49.26 70.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.327 0.651 . . . . 0.0 110.354 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.13 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.439 0.696 . . . . 0.0 110.3 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.45 -46.03 87.38 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.678 1.591 . . . . 0.0 110.661 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.94 70.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.93 0.786 . . . . 0.0 111.815 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.3 -53.47 32.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 119.946 1.248 . . . . 0.0 108.068 173.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.24 -29.98 70.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.434 1.094 . . . . 0.0 112.275 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -66.93 -12.14 58.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.165 0.986 . . . . 0.0 112.37 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 120.396 1.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 . . . . . 0 CA--C 1.494 -1.178 0 CA-C-O 116.137 -1.887 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.37 -31.11 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 121.459 1.936 . . . . 0.0 111.563 -172.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.67 -61.98 2.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.477 1.035 . . . . 0.0 110.661 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -70.76 -46.16 63.46 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 118.247 -0.883 . . . . 0.0 112.677 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.78 -34.0 62.08 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.5 1.5 . . . . 0.0 112.822 174.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.09 -38.0 61.35 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 120.425 1.466 . . . . 0.0 111.776 174.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -65.47 -47.61 75.49 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.75 -38.49 75.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.528 1.531 . . . . 0.0 110.623 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.63 77.5 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.443 1.02 . . . . 0.0 112.096 174.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.38 -41.76 72.62 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.136 -0.977 . . . . 0.0 110.121 174.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -62.07 -33.74 74.97 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.291 1.837 . . . . 0.0 111.329 176.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.39 -59.13 3.96 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.08 1.752 . . . . 0.0 108.87 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.35 -33.18 30.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.098 1.359 . . . . 0.0 111.72 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.17 -59.64 4.18 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.173 0.989 . . . . 0.0 109.65 173.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.4 -30.39 68.42 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.345 0.593 . . . . 0.0 112.21 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -75.77 -26.04 56.99 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.585 1.554 . . . . 0.0 111.007 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.18 84.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.922 1.237 . . . . 0.0 108.19 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -55.76 -59.61 4.62 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.78 -42.58 58.06 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.105 0.962 . . . . 0.0 112.397 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.97 76.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.998 0.919 . . . . 0.0 110.54 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.64 -36.73 84.77 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.277 0.944 . . . . 0.0 111.679 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.65 -45.29 93.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.54 1.936 . . . . 0.0 109.888 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.31 -43.82 85.15 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 125.183 1.393 . . . . 0.0 110.697 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -58.94 -36.88 64.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.321 1.449 . . . . 0.0 110.454 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.08 84.14 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.378 0.99 . . . . 0.0 111.334 174.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.7 88.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.484 0.714 . . . . 0.0 111.246 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -60.06 -44.89 94.4 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 127.603 2.361 . . . . 0.0 110.366 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.83 -46.28 78.16 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 122.729 0.412 . . . . 0.0 110.157 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -61.54 -54.78 38.68 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 123.642 0.777 . . . . 0.0 110.653 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.84 72.08 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 125.009 1.324 . . . . 0.0 111.358 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.79 83.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.052 0.941 . . . . 0.0 110.82 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.31 83.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.174 0.59 . . . . 0.0 109.875 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -70.3 -32.08 69.69 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.548 1.939 . . . . 0.0 112.596 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.12 -32.02 72.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.657 1.117 . . . . 0.0 109.778 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t -75.98 -66.13 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.63 -26.79 68.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.244 1.418 . . . . 0.0 114.768 -173.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 mtp-105 -133.93 29.38 3.78 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.9 1.28 . . . . 0.0 109.354 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 O-C-N 121.499 -0.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 116.46 -1.733 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 t -50.28 -29.2 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 121.803 2.092 . . . . 0.0 112.205 -173.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.15 -65.86 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.419 1.009 . . . . 0.0 110.769 173.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 m -67.86 -44.8 76.28 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.902 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -52.96 -39.17 62.74 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 126.0 1.72 . . . . 0.0 111.539 174.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.83 96.14 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 119.899 1.227 . . . . 0.0 111.146 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -65.77 -48.67 71.04 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 121.478 -0.764 . . . . 0.0 109.02 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.16 -34.18 63.59 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.1 1.36 . . . . 0.0 111.586 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.8 87.75 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.592 1.157 . . . . 0.0 111.127 174.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.61 90.8 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.427 -0.796 . . . . 0.0 109.379 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.87 -36.11 82.83 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.683 1.593 . . . . 0.0 111.642 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.9 -54.3 40.73 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 124.932 1.293 . . . . 0.0 109.147 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.46 -32.0 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 124.332 1.053 . . . . 0.0 110.658 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -51.56 62.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 119.503 1.047 . . . . 0.0 110.16 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.97 94.23 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.649 0.78 . . . . 0.0 110.306 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -62.15 -42.43 99.24 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.726 1.61 . . . . 0.0 113.176 173.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.15 95.01 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.494 1.043 . . . . 0.0 110.796 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -63.58 -59.6 4.41 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.21 -39.82 45.47 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.847 1.259 . . . . 0.0 112.221 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.17 79.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.769 1.228 . . . . 0.0 111.349 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.44 -36.61 81.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.699 0.761 . . . . 0.0 110.975 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.22 -43.17 99.3 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.885 1.274 . . . . 0.0 110.0 173.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tt -65.24 -46.59 79.98 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.274 1.43 . . . . 0.0 110.061 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -55.05 -44.03 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.764 1.226 . . . . 0.0 111.306 174.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.77 62.47 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.706 1.139 . . . . 0.0 110.717 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 -27.49 68.78 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.575 -0.703 . . . . 0.0 111.509 175.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -73.97 -24.71 59.65 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 124.669 1.188 . . . . 0.0 112.242 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.63 77.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 120.367 1.44 . . . . 0.0 108.712 173.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -60.75 -54.96 38.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.58 67.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.171 0.988 . . . . 0.0 112.143 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.33 -38.38 87.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 119.025 0.829 . . . . 0.0 110.791 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.94 85.92 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 121.418 -0.802 . . . . 0.0 110.406 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -59.51 -43.52 93.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.907 1.683 . . . . 0.0 110.653 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.02 93.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.642 1.177 . . . . 0.0 110.348 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.62 -39.49 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.33 74.66 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.546 0.612 . . . . 0.0 111.876 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -72.91 -20.49 61.06 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.985 173.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 119.417 1.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.205 -1.261 0 CA-C-O 116.06 -1.924 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.6 t -47.09 -34.12 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 121.755 2.07 . . . . 0.0 113.219 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -66.29 0.56 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.244 0.929 . . . . 0.0 110.524 173.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.7 m -67.34 -38.19 84.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.777 -0.577 . . . . 0.0 112.302 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.87 -37.67 77.07 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.958 1.703 . . . . 0.0 110.627 173.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 120.143 1.338 . . . . 0.0 110.211 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -62.34 -55.33 29.12 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.5 62.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.787 1.235 . . . . 0.0 111.553 -177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -50.69 64.59 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 124.818 1.247 . . . . 0.0 111.352 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.43 87.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.198 0.908 . . . . 0.0 111.224 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.5 -44.02 93.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.743 1.617 . . . . 0.0 109.907 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -44.54 76.79 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.753 0.821 . . . . 0.0 109.866 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.85 -34.94 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 120.949 -1.094 . . . . 0.0 110.679 174.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.14 82.16 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.905 1.229 . . . . 0.0 111.217 173.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.41 94.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.255 0.622 . . . . 0.0 110.619 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -65.51 -34.93 79.41 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 125.634 1.574 . . . . 0.0 111.285 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.87 97.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.34 0.973 . . . . 0.0 110.21 174.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -62.11 -54.37 42.18 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.45 70.34 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.623 0.769 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.74 91.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.943 0.897 . . . . 0.0 110.927 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.31 98.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.915 0.486 . . . . 0.0 110.641 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.39 -40.26 93.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.172 1.789 . . . . 0.0 111.392 173.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.26 -53.21 59.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.701 0.8 . . . . 0.0 109.104 175.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.56 -35.51 63.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.133 0.973 . . . . 0.0 110.552 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.22 58.14 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.573 1.079 . . . . 0.0 110.93 176.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.52 91.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.462 -0.774 . . . . 0.0 110.509 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.78 -22.31 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 113.204 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.15 66.91 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -54.49 46.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.52 1.128 . . . . 0.0 108.982 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.6 76.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.365 1.066 . . . . 0.0 112.227 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.61 77.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.057 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.07 -43.74 95.25 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.654 0.661 . . . . 0.0 110.273 174.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.11 -49.22 78.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.846 1.659 . . . . 0.0 109.553 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.485 1.114 . . . . 0.0 111.302 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.3 -44.83 90.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.496 0.718 . . . . 0.0 109.478 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.75 -28.87 70.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.782 0.719 . . . . 0.0 112.005 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -81.53 -3.12 52.27 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.402 1.081 . . . . 0.0 111.546 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 120.703 1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 117.409 -1.281 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -52.78 -27.18 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 121.303 1.865 . . . . 0.0 113.36 -172.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.13 -58.83 4.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.404 1.002 . . . . 0.0 110.236 173.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 p -70.58 -43.25 69.81 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.299 0.64 . . . . 0.0 112.214 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.67 -45.59 73.9 Favored 'General case' 0 N--CA 1.46 0.029 0 CA-C-N 120.163 1.347 . . . . 0.0 110.937 173.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.52 95.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.156 0.889 . . . . 0.0 110.981 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -57.44 -57.94 10.48 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 123.447 0.699 . . . . 0.0 109.39 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.31 -39.12 66.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.533 1.533 . . . . 0.0 110.87 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.44 93.36 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 119.502 1.047 . . . . 0.0 111.479 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.51 90.06 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.555 -0.715 . . . . 0.0 110.938 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -60.45 -45.68 92.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.559 1.543 . . . . 0.0 111.594 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.53 -50.17 74.75 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.541 1.136 . . . . 0.0 108.705 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.95 -35.79 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 118.314 -0.85 . . . . 0.0 111.449 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.86 90.79 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 120.677 1.581 . . . . 0.0 111.328 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.21 97.17 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.706 0.802 . . . . 0.0 110.645 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -60.22 -45.99 91.31 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 124.886 1.274 . . . . 0.0 110.329 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.7 71.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.846 0.858 . . . . 0.0 110.231 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -65.95 -62.7 1.35 Allowed 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.46 -35.54 52.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.277 1.031 . . . . 0.0 112.221 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.1 -53.59 29.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.819 2.047 . . . . 0.0 109.688 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.26 73.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.689 1.131 . . . . 0.0 111.914 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -68.82 -39.06 80.22 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.61 1.964 . . . . 0.0 109.874 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 tt -69.3 -38.06 78.09 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 120.911 -1.118 . . . . 0.0 110.644 173.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.18 -37.37 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 126.546 1.938 . . . . 0.0 109.103 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.6 76.89 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.621 1.1 . . . . 0.0 110.158 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.63 92.05 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 121.826 -0.546 . . . . 0.0 111.44 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -61.72 -38.04 86.42 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.34 1.856 . . . . 0.0 111.448 174.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.45 -48.53 74.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -55.76 -63.74 1.08 Allowed 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.91 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.49 -32.99 63.3 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.515 1.526 . . . . 0.0 113.03 -174.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.52 -49.33 33.62 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 119.069 0.85 . . . . 0.0 110.534 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.89 81.47 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.792 0.837 . . . . 0.0 110.833 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.18 -53.98 47.5 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.701 2.0 . . . . 0.0 107.473 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.21 -32.38 66.44 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.068 0.849 . . . . 0.0 112.686 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 CA--C 1.531 0.237 0 C-N-CA 124.432 1.093 . . . . 0.0 108.943 174.068 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 C--O 1.209 -1.042 0 CA-C-O 116.824 -1.56 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.33 -23.02 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 121.603 2.002 . . . . 0.0 112.124 -170.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.04 -59.95 2.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.524 -1.36 . . . . 0.0 109.142 173.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -61.23 -55.43 32.08 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.605 1.162 . . . . 0.0 111.034 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.32 -34.01 66.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.269 1.828 . . . . 0.0 112.429 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.28 65.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 120.685 1.584 . . . . 0.0 111.122 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -60.62 -50.06 75.04 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.28 -42.54 70.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.694 1.597 . . . . 0.0 110.234 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -36.3 83.71 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.048 0.84 . . . . 0.0 112.349 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.21 74.64 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 119.232 0.924 . . . . 0.0 109.329 174.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -58.29 -38.18 76.5 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.608 1.563 . . . . 0.0 111.174 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.24 -57.46 10.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.149 1.379 . . . . 0.0 109.295 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.3 t -58.9 -30.47 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.174 1.389 . . . . 0.0 111.445 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.59 -55.58 11.1 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.88 1.272 . . . . 0.0 110.671 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.13 73.57 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.415 0.626 . . . . 0.0 110.36 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -73.2 -30.78 63.76 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.514 1.526 . . . . 0.0 112.576 175.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.75 90.57 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 120.55 1.523 . . . . 0.0 109.45 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -67.4 -58.51 4.65 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.3 -38.21 57.83 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.757 1.223 . . . . 0.0 113.06 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.04 -53.37 39.33 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.696 1.198 . . . . 0.0 109.342 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.44 -32.85 74.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.798 0.726 . . . . 0.0 111.946 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.05 -43.92 94.05 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.28 1.432 . . . . 0.0 109.842 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.12 -45.56 88.06 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.676 1.191 . . . . 0.0 110.603 174.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.63 -36.26 64.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 125.526 1.53 . . . . 0.0 110.215 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.15 83.02 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.311 1.414 . . . . 0.0 110.456 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.87 88.91 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.279 -0.888 . . . . 0.0 110.619 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -66.37 -30.96 71.46 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 125.759 1.624 . . . . 0.0 110.403 174.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.32 -53.81 42.95 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 174.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -53.66 -62.39 1.68 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 126.122 1.769 . . . . 0.0 110.027 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.5 82.27 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.224 2.209 . . . . 0.0 112.734 -174.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.75 -45.16 75.73 Favored 'General case' 0 CA--C 1.526 0.053 0 CA-C-N 119.133 0.879 . . . . 0.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.18 -40.14 84.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.933 0.493 . . . . 0.0 110.149 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -61.44 -44.65 96.75 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.762 0.825 . . . . 0.0 111.002 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.69 84.55 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.721 1.146 . . . . 0.0 111.32 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.73 174.511 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.209 -1.075 0 CA-C-O 116.332 -1.794 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 t -48.42 -34.48 5.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.491 0 CA-C-N 121.435 1.925 . . . . 0.0 112.261 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.21 -62.83 1.5 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.926 0.784 . . . . 0.0 111.865 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -66.07 -42.25 89.69 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.462 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.58 -39.18 92.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 126.562 1.945 . . . . 0.0 113.442 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.97 70.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.79 1.177 . . . . 0.0 110.062 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -56.2 -55.32 34.6 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.21 -33.76 67.85 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.592 1.157 . . . . 0.0 111.347 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.37 94.11 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 120.058 1.299 . . . . 0.0 112.136 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.87 83.84 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.308 -0.87 . . . . 0.0 110.189 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.07 -43.67 91.46 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.151 1.381 . . . . 0.0 111.303 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.14 -51.3 69.87 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.849 1.26 . . . . 0.0 109.614 174.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.06 -39.74 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 117.063 -1.446 . . . . 0.0 111.39 173.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.94 -54.35 43.03 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 120.245 1.384 . . . . 0.0 110.341 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.01 -45.25 79.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.303 0.641 . . . . 0.0 110.275 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -61.16 -40.19 92.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 125.357 1.463 . . . . 0.0 113.816 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.01 -33.07 71.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 119.223 0.919 . . . . 0.0 110.698 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -65.23 -53.68 40.82 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.75 62.11 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.976 1.31 . . . . 0.0 111.62 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.42 -48.6 72.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.371 1.068 . . . . 0.0 110.893 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.98 86.99 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.975 0.807 . . . . 0.0 111.341 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -61.42 -43.82 98.21 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.281 1.432 . . . . 0.0 110.108 174.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.58 -47.35 76.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.267 1.427 . . . . 0.0 110.49 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.0 -35.99 54.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 124.574 1.15 . . . . 0.0 110.054 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.51 85.73 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 120.441 1.473 . . . . 0.0 111.77 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.95 93.2 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.183 -0.948 . . . . 0.0 110.343 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -65.64 -27.26 68.25 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.758 1.223 . . . . 0.0 112.948 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.0 95.59 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.327 0.967 . . . . 0.0 109.004 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -64.14 -53.12 54.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.132 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.66 -47.97 49.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.687 1.595 . . . . 0.0 112.123 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.84 77.38 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.477 0.711 . . . . 0.0 110.609 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.7 84.29 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.408 0.683 . . . . 0.0 110.762 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -53.68 -54.68 34.44 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.673 1.989 . . . . 0.0 110.031 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.82 78.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.54 0.736 . . . . 0.0 112.22 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.8 t . . . . . 0 C--O 1.233 0.231 0 CA-C-N 119.044 0.838 . . . . 0.0 108.927 176.02 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 . . . . . 0 C--O 1.206 -1.189 0 CA-C-O 116.747 -1.597 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t -51.96 -31.22 13.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 121.074 1.761 . . . . 0.0 112.026 -169.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.34 -59.49 4.31 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.593 1.088 . . . . 0.0 111.624 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.3 t -59.68 -51.98 67.49 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.626 1.57 . . . . 0.0 110.325 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.01 -44.86 96.79 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 126.678 1.991 . . . . 0.0 111.499 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.8 -33.84 76.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 119.859 1.209 . . . . 0.0 111.161 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -53.99 51.16 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 121.383 -0.823 . . . . 0.0 108.813 174.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.21 -37.52 69.77 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 124.051 0.94 . . . . 0.0 111.235 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.12 88.85 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 124.289 1.036 . . . . 0.0 111.779 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.77 -47.1 55.87 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 123.418 0.687 . . . . 0.0 110.096 174.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.72 -38.4 81.57 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.437 1.495 . . . . 0.0 111.352 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.97 -54.78 42.78 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.601 1.161 . . . . 0.0 109.673 173.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.89 -35.62 57.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 124.45 1.1 . . . . 0.0 110.876 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.68 70.6 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 119.313 0.96 . . . . 0.0 110.209 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.41 89.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.433 0.635 . . . . 0.0 109.698 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.511 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 68.5 m-20 -63.96 -24.96 67.93 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.026 1.33 . . . . 0.0 112.311 -176.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.64 97.31 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.726 1.148 . . . . 0.0 109.636 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -72.44 -46.88 52.96 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' ' 16' ' ' ASN . . . -55.27 -33.08 62.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.217 0.607 . . . . 0.0 112.206 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.68 70.96 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.289 1.436 . . . . 0.0 109.834 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.1 94.54 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.67 0.388 . . . . 0.0 111.474 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.35 -44.15 92.72 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.198 1.799 . . . . 0.0 110.015 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.1 -47.89 78.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.107 0.963 . . . . 0.0 110.151 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.15 -38.42 74.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.015 1.326 . . . . 0.0 110.748 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.24 90.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.251 0.932 . . . . 0.0 110.891 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.37 92.73 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.627 -0.67 . . . . 0.0 110.628 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -58.78 -30.14 67.35 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.721 1.208 . . . . 0.0 111.752 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.64 97.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.389 0.995 . . . . 0.0 110.408 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -51.28 61.87 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.73 63.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.816 1.246 . . . . 0.0 112.496 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.12 -52.09 31.77 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.937 0.895 . . . . 0.0 109.66 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.75 -34.54 71.5 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.597 0.635 . . . . 0.0 112.302 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -65.94 -52.93 45.46 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.695 1.598 . . . . 0.0 108.797 174.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.03 77.68 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 118.673 0.67 . . . . 0.0 112.303 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.233 0.194 0 C-N-CA 125.855 1.662 . . . . 0.0 108.633 173.899 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 116.783 -1.579 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t -50.37 -31.07 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 120.735 1.607 . . . . 0.0 113.16 -173.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.33 -65.21 0.71 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 119.694 1.134 . . . . 0.0 110.246 173.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.3 t -57.43 -50.21 73.74 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.776 0.83 . . . . 0.0 110.111 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -33.4 71.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.213 1.805 . . . . 0.0 112.465 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.41 71.46 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 120.387 1.449 . . . . 0.0 108.765 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -57.12 -57.8 10.98 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.33 1.052 . . . . 0.0 109.027 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.23 72.74 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.322 1.449 . . . . 0.0 110.935 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.07 93.47 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 120.252 1.387 . . . . 0.0 112.087 176.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.07 -42.59 84.43 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.375 -0.828 . . . . 0.0 109.966 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.55 -30.66 71.69 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.808 1.243 . . . . 0.0 111.532 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -67.64 -46.66 71.81 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.312 1.445 . . . . 0.0 109.287 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.36 -34.55 64.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 125.713 1.605 . . . . 0.0 111.54 174.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -52.04 55.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.122 0.874 . . . . 0.0 109.583 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.33 -37.26 69.72 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.088 0.555 . . . . 0.0 111.113 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -64.51 -44.11 91.95 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.2 1.4 . . . . 0.0 111.416 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.33 -44.1 83.94 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.448 0.699 . . . . 0.0 110.021 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -63.88 -57.89 8.46 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.99 -40.17 60.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.971 1.308 . . . . 0.0 112.838 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.63 -54.95 23.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.953 1.301 . . . . 0.0 109.476 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -33.77 73.71 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.414 0.552 . . . . 0.0 111.927 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.11 -46.17 82.14 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.32 1.848 . . . . 0.0 110.829 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.53 -46.46 88.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.222 1.009 . . . . 0.0 110.348 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.14 -32.6 56.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.423 1.089 . . . . 0.0 110.071 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.48 -38.28 80.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 119.437 1.017 . . . . 0.0 111.799 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.95 -48.25 71.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 119.028 0.831 . . . . 0.0 109.299 173.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -52.07 -39.19 59.3 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.723 1.209 . . . . 0.0 110.651 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.02 -50.66 72.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.866 0.757 . . . . 0.0 110.478 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.62 -56.43 15.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.25 -39.51 72.68 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 124.257 1.023 . . . . 0.0 112.251 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.83 76.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.388 1.075 . . . . 0.0 111.05 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.79 98.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.782 0.833 . . . . 0.0 110.443 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -60.15 -43.67 95.57 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.047 1.739 . . . . 0.0 110.804 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.24 98.15 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.109 0.564 . . . . 0.0 110.847 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.333 177.536 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.205 -1.261 0 CA-C-O 116.06 -1.924 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.6 t -47.09 -34.12 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 121.755 2.07 . . . . 0.0 113.219 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -66.29 0.56 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.244 0.929 . . . . 0.0 110.524 173.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.7 m -67.34 -38.19 84.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.777 -0.577 . . . . 0.0 112.302 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.87 -37.67 77.07 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.958 1.703 . . . . 0.0 110.627 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 120.143 1.338 . . . . 0.0 110.211 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -62.34 -55.33 29.12 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.5 62.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.787 1.235 . . . . 0.0 111.553 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -50.69 64.59 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 124.818 1.247 . . . . 0.0 111.352 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.43 87.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.198 0.908 . . . . 0.0 111.224 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.5 -44.02 93.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.743 1.617 . . . . 0.0 109.907 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -44.54 76.79 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.753 0.821 . . . . 0.0 109.866 178.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.85 -34.94 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 120.949 -1.094 . . . . 0.0 110.679 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.14 82.16 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.905 1.229 . . . . 0.0 111.217 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.41 94.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.255 0.622 . . . . 0.0 110.619 174.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -65.51 -34.93 79.41 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 125.634 1.574 . . . . 0.0 111.285 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.87 97.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.34 0.973 . . . . 0.0 110.21 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -62.11 -54.37 42.18 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.45 70.34 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.623 0.769 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.74 91.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.943 0.897 . . . . 0.0 110.927 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.31 98.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.915 0.486 . . . . 0.0 110.641 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.39 -40.26 93.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.172 1.789 . . . . 0.0 111.392 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.26 -53.21 59.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.701 0.8 . . . . 0.0 109.104 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.56 -35.51 63.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.133 0.973 . . . . 0.0 110.552 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.22 58.14 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.573 1.079 . . . . 0.0 110.93 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.52 91.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.462 -0.774 . . . . 0.0 110.509 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.78 -22.31 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 113.204 173.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.15 66.91 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -54.49 46.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.52 1.128 . . . . 0.0 108.982 175.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.6 76.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.365 1.066 . . . . 0.0 112.227 -175.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.61 77.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.057 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.07 -43.74 95.25 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.654 0.661 . . . . 0.0 110.273 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.11 -49.22 78.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.846 1.659 . . . . 0.0 109.553 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.485 1.114 . . . . 0.0 111.302 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 CA--C 1.532 0.28 0 C-N-CA 123.496 0.718 . . . . 0.0 109.478 174.019 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 115.756 -2.069 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.35 -28.33 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 122.287 2.312 . . . . 0.0 112.535 -172.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.17 -60.93 2.33 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.94 1.246 . . . . 0.0 110.541 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -60.78 -51.53 68.96 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.984 0.514 . . . . 0.0 110.28 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.13 -35.56 71.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.317 1.447 . . . . 0.0 112.863 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 -34.41 59.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 120.128 1.331 . . . . 0.0 111.49 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -59.82 -52.84 63.71 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.5 66.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.363 1.465 . . . . 0.0 110.884 174.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.76 95.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 119.81 1.187 . . . . 0.0 111.375 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.76 76.73 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.794 -1.192 . . . . 0.0 109.93 174.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.99 -31.58 72.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.905 0.882 . . . . 0.0 110.686 173.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.72 -48.09 70.3 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.178 0.991 . . . . 0.0 108.63 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.06 -32.26 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.308 1.443 . . . . 0.0 111.603 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -50.13 50.64 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.449 1.1 . . . . 0.0 110.296 174.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.9 71.11 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.513 0.725 . . . . 0.0 109.776 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.55 -37.81 80.26 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.952 1.701 . . . . 0.0 113.103 173.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.44 87.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 120.16 1.346 . . . . 0.0 109.624 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -65.29 -66.23 0.57 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.241 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.76 68.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.09 69.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.437 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.91 81.07 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.006 0.821 . . . . 0.0 110.446 176.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -60.64 -43.88 97.05 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.657 1.583 . . . . 0.0 110.006 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.47 -46.84 74.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.829 0.852 . . . . 0.0 110.243 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.11 -36.45 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.585 1.154 . . . . 0.0 110.899 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 -52.27 63.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.786 0.721 . . . . 0.0 110.441 176.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.87 83.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.99 0.916 . . . . 0.0 111.556 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.74 -33.4 68.41 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 125.075 1.35 . . . . 0.0 110.937 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.72 89.62 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.388 0.995 . . . . 0.0 109.849 174.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -59.46 -58.07 10.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.1 -38.05 64.93 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.983 0.913 . . . . 0.0 112.033 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.29 -49.26 70.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.327 0.651 . . . . 0.0 110.354 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.13 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.439 0.696 . . . . 0.0 110.3 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.45 -46.03 87.38 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.678 1.591 . . . . 0.0 110.661 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.94 70.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.93 0.786 . . . . 0.0 111.815 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.234 0.268 0 CA-C-N 119.946 1.248 . . . . 0.0 108.068 173.77 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--O 1.209 -1.039 0 CA-C-O 116.322 -1.799 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.28 -33.8 21.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 121.32 1.873 . . . . 0.0 112.279 -169.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.26 -57.92 6.5 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 119.568 1.077 . . . . 0.0 111.129 173.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -52.26 65.98 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.417 0.287 . . . . 0.0 110.694 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.6 -38.95 67.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.621 1.968 . . . . 0.0 111.558 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.59 -49.59 65.86 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -57.27 -57.03 14.4 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 123.366 0.666 . . . . 0.0 109.286 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.9 80.01 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.155 1.382 . . . . 0.0 111.03 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.3 99.17 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.092 0.557 . . . . 0.0 111.599 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.61 -41.64 83.68 Favored 'General case' 0 C--O 1.225 -0.19 0 O-C-N 121.481 -0.762 . . . . 0.0 110.528 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.0 -44.52 94.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.013 2.125 . . . . 0.0 110.777 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.87 -50.21 71.25 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.506 0.723 . . . . 0.0 109.858 174.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.21 -29.83 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.073 0.949 . . . . 0.0 111.688 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.24 80.13 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.308 1.043 . . . . 0.0 109.6 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.97 95.87 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 123.791 0.836 . . . . 0.0 109.841 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -53.64 -39.18 64.79 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 125.18 1.392 . . . . 0.0 111.214 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.62 71.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.051 0.841 . . . . 0.0 110.437 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -75.7 -52.05 11.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.416 0.686 . . . . 0.0 109.328 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -44.23 81.08 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.556 1.542 . . . . 0.0 112.371 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.05 -41.76 90.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.08 82.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.913 0.778 . . . . 0.0 111.876 175.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -63.87 -39.95 95.4 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.676 1.99 . . . . 0.0 109.947 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.2 -46.44 80.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.66 1.184 . . . . 0.0 110.046 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.07 -34.65 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 126.153 1.781 . . . . 0.0 110.983 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.5 82.9 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.529 1.059 . . . . 0.0 110.95 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.3 96.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.797 0.439 . . . . 0.0 111.057 174.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -57.19 -42.13 80.63 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 124.773 1.229 . . . . 0.0 109.938 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.14 90.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 118.466 0.575 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -63.53 -61.71 2.15 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 174.468 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.7 -35.16 60.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.548 1.139 . . . . 0.0 112.52 -175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.34 -53.48 29.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.043 0.937 . . . . 0.0 110.369 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.37 -43.12 78.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.422 0.689 . . . . 0.0 110.461 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.94 -41.21 97.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.961 2.105 . . . . 0.0 110.972 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.93 -28.95 66.0 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 121.52 -0.738 . . . . 0.0 111.377 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 C--O 1.232 0.183 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 173.7 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 C--O 1.203 -1.345 0 CA-C-O 116.534 -1.698 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.78 -28.07 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 121.615 2.007 . . . . 0.0 112.153 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.13 -59.36 4.19 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.197 -0.939 . . . . 0.0 110.321 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.3 p -62.56 -51.06 68.87 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -56.97 -33.75 67.37 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 126.827 2.051 . . . . 0.0 111.94 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -39.93 68.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 119.953 1.252 . . . . 0.0 111.096 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HE3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.32 -49.96 69.68 Favored 'General case' 0 C--O 1.226 -0.177 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 176.739 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.37 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 126.145 1.778 . . . . 0.0 110.112 174.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.98 90.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.579 1.081 . . . . 0.0 111.851 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.84 72.66 Favored 'General case' 0 C--O 1.227 -0.113 0 O-C-N 121.32 -0.862 . . . . 0.0 109.664 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.94 -33.3 70.43 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.537 1.535 . . . . 0.0 111.175 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tt -64.84 -58.19 6.86 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.388 1.875 . . . . 0.0 108.867 173.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.36 -30.87 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.406 1.082 . . . . 0.0 111.854 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.83 -48.74 35.29 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.736 1.615 . . . . 0.0 111.208 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.1 80.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.195 0.521 . . . . 0.0 109.819 174.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -67.94 -35.94 79.26 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 125.26 1.424 . . . . 0.0 110.756 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.76 91.69 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 120.117 1.326 . . . . 0.0 110.656 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -65.67 -57.8 7.22 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.88 -35.09 61.2 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.776 1.23 . . . . 0.0 112.418 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.21 -52.6 64.1 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.016 1.326 . . . . 0.0 110.316 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.24 85.15 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.619 0.768 . . . . 0.0 111.56 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.21 -44.75 96.78 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.93 1.292 . . . . 0.0 109.77 174.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.76 -43.4 84.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.533 1.133 . . . . 0.0 110.823 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.72 -40.74 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.589 1.155 . . . . 0.0 110.319 174.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.71 93.38 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.065 1.302 . . . . 0.0 110.818 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.63 79.23 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.981 -1.074 . . . . 0.0 111.756 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -68.04 -23.56 64.99 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.466 1.507 . . . . 0.0 111.836 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.88 83.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -63.68 -51.98 62.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.95 -41.97 62.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.637 1.175 . . . . 0.0 112.165 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.6 78.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.341 0.519 . . . . 0.0 111.419 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.17 93.45 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 118.648 0.658 . . . . 0.0 111.437 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.3 -46.01 91.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.521 1.928 . . . . 0.0 109.872 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.14 -48.04 77.6 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.195 -0.941 . . . . 0.0 110.783 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 CA--C 1.53 0.194 0 C-N-CA 123.886 0.875 . . . . 0.0 109.185 178.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 . . . . . 0 CA--C 1.497 -1.075 0 CA-C-O 116.693 -1.623 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.16 -31.86 22.44 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-N 121.474 1.943 . . . . 0.0 111.972 -170.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.16 -48.72 78.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 119.205 0.912 . . . . 0.0 112.627 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -73.91 -48.6 29.66 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.787 0.721 . . . . 0.0 111.55 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.67 -35.18 78.84 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.634 1.574 . . . . 0.0 111.803 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.03 89.08 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 119.947 1.249 . . . . 0.0 110.7 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -61.22 -56.44 20.62 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 123.949 0.899 . . . . 0.0 108.853 175.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.54 -34.79 73.09 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.833 1.253 . . . . 0.0 111.377 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.24 -49.6 71.29 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.299 1.04 . . . . 0.0 109.94 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.42 98.61 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 122.765 0.426 . . . . 0.0 111.001 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.55 -40.31 92.73 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 125.11 1.364 . . . . 0.0 110.888 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.58 -44.83 92.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.815 -0.553 . . . . 0.0 110.159 173.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.32 -42.19 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.344 1.058 . . . . 0.0 110.419 175.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.92 -49.91 75.84 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.302 0.955 . . . . 0.0 109.727 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.57 -44.63 89.8 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.285 0.493 . . . . 0.0 111.141 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.73 -30.05 71.05 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 127.101 2.161 . . . . 0.0 111.665 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.74 -33.05 72.33 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.825 1.193 . . . . 0.0 110.691 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -68.69 -54.03 18.64 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.342 1.057 . . . . 0.0 108.824 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.25 62.63 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.322 1.049 . . . . 0.0 112.119 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.87 81.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.099 1.36 . . . . 0.0 110.357 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.18 86.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.165 0.507 . . . . 0.0 111.5 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.09 -43.84 98.28 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.049 1.339 . . . . 0.0 108.868 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.09 -39.54 95.01 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.773 174.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.7 t -59.64 -37.45 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.648 1.567 . . . . 0.0 110.476 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.42 70.85 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 119.218 0.917 . . . . 0.0 110.758 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.68 80.25 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.94 -0.475 . . . . 0.0 110.944 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -62.13 -36.08 80.69 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.162 2.185 . . . . 0.0 111.497 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.56 -44.6 77.84 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.595 1.089 . . . . 0.0 110.339 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -57.93 -55.89 29.09 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.713 0.768 . . . . 0.0 109.088 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.65 -28.87 64.11 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.619 1.168 . . . . 0.0 112.756 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.8 -41.58 62.15 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 119.618 1.099 . . . . 0.0 110.465 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.43 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.653 0.661 . . . . 0.0 109.293 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.75 -41.44 95.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.974 1.31 . . . . 0.0 110.067 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.89 85.28 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.937 0.895 . . . . 0.0 111.853 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.232 0.166 0 C-N-CA 124.977 1.311 . . . . 0.0 109.539 175.754 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 CA--C 1.501 -0.913 0 CA-C-O 116.716 -1.611 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.4 t -49.38 -37.62 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 121.352 1.887 . . . . 0.0 112.177 -169.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.62 -60.04 4.28 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.745 0.702 . . . . 0.0 111.752 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.6 m -65.03 -44.03 90.48 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.271 -0.893 . . . . 0.0 112.317 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.81 -34.29 69.49 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.879 2.071 . . . . 0.0 111.002 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.63 -43.5 84.55 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -63.12 -50.7 69.42 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.54 -42.65 71.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.563 0.745 . . . . 0.0 110.916 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.54 82.6 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 118.654 0.661 . . . . 0.0 111.81 174.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.82 -36.64 64.96 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.208 -0.933 . . . . 0.0 111.677 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -63.42 -37.8 88.69 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.916 2.086 . . . . 0.0 110.157 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.18 -55.36 29.44 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.025 1.33 . . . . 0.0 109.186 173.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.8 t -61.34 -32.73 53.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.695 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.08 69.97 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.613 1.097 . . . . 0.0 110.934 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.66 -45.1 93.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.453 0.644 . . . . 0.0 109.794 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -66.2 -32.48 73.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.025 1.33 . . . . 0.0 111.488 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.38 98.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -61.55 -56.47 19.65 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 118.117 -0.944 . . . . 0.0 109.022 174.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.0 -46.51 68.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.984 1.713 . . . . 0.0 112.642 -174.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.87 -48.63 80.91 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.715 0.806 . . . . 0.0 109.528 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.38 -25.72 66.1 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.09 -40.73 74.78 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.185 1.794 . . . . 0.0 109.814 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.2 -53.98 40.72 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.943 1.697 . . . . 0.0 109.114 174.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.34 -33.77 48.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 125.191 1.397 . . . . 0.0 111.374 175.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.89 74.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.768 1.167 . . . . 0.0 111.725 176.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.41 87.55 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.285 -0.885 . . . . 0.0 109.742 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.58 -25.85 68.42 Favored 'General case' 0 C--O 1.225 -0.202 0 O-C-N 121.671 -0.643 . . . . 0.0 111.036 173.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.27 95.3 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.618 1.099 . . . . 0.0 109.299 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -60.1 -54.73 42.47 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.34 -45.51 55.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.493 1.117 . . . . 0.0 111.761 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.42 78.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.127 0.971 . . . . 0.0 112.338 -177.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.97 -49.71 27.53 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 119.445 1.02 . . . . 0.0 109.611 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -56.07 -39.84 72.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.862 1.665 . . . . 0.0 111.674 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.03 99.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.825 1.25 . . . . 0.0 110.543 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.242 178.515 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 CA--C 1.498 -1.056 0 CA-C-O 116.405 -1.759 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.9 t -46.9 -38.33 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 121.425 1.92 . . . . 0.0 112.8 -170.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.7 -60.08 3.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.051 0.94 . . . . 0.0 113.039 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.6 t -58.73 -50.98 71.91 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.595 0.758 . . . . 0.0 109.631 177.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -51.06 -45.58 61.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.043 1.337 . . . . 0.0 110.857 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.01 82.95 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.117 0.871 . . . . 0.0 110.822 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -60.26 3.7 Favored 'General case' 0 C--N 1.339 0.112 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 174.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.74 -36.76 67.63 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.947 0.899 . . . . 0.0 111.734 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.65 93.87 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.998 1.719 . . . . 0.0 111.689 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.45 -40.3 77.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.991 0.517 . . . . 0.0 110.03 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.02 -40.54 93.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.456 1.503 . . . . 0.0 111.152 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.76 -47.09 87.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.253 1.021 . . . . 0.0 109.133 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.0 -36.28 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.065 1.346 . . . . 0.0 111.188 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.75 69.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.15 0.98 . . . . 0.0 109.8 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.55 84.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 119.02 0.827 . . . . 0.0 110.135 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 73.0 m-20 -63.38 -19.25 64.51 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-O 117.952 -1.023 . . . . 0.0 112.887 176.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.02 91.57 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.588 1.085 . . . . 0.0 109.223 173.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.57 -57.86 8.79 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 16' ' ' ASN . . . -49.63 -45.13 47.92 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.585 1.154 . . . . 0.0 111.507 -174.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.05 -54.98 39.63 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.441 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.49 82.82 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.509 1.049 . . . . 0.0 111.793 -177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -60.08 -50.28 74.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.223 1.809 . . . . 0.0 110.025 174.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.8 -46.67 84.12 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.797 1.639 . . . . 0.0 110.519 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.34 -35.83 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 126.097 1.759 . . . . 0.0 110.283 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.76 -50.52 66.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 119.633 1.106 . . . . 0.0 110.301 173.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.31 -29.22 69.74 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 122.179 -0.326 . . . . 0.0 111.771 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -75.97 -32.21 59.39 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 125.93 1.692 . . . . 0.0 112.457 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -42.03 87.21 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -60.64 -52.13 66.44 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.56 -41.26 60.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.126 0.97 . . . . 0.0 112.122 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -50.74 69.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.562 1.145 . . . . 0.0 110.645 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.16 87.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.706 0.802 . . . . 0.0 111.467 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -61.84 -41.23 97.55 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 126.026 1.73 . . . . 0.0 110.148 175.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.64 -41.97 92.0 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 121.238 -0.914 . . . . 0.0 110.067 177.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 C--O 1.236 0.353 0 C-N-CA 123.945 0.898 . . . . 0.0 109.586 176.469 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.208 -1.123 0 CA-C-O 116.66 -1.638 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.36 -26.45 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-N 121.7 2.045 . . . . 0.0 113.27 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -59.35 3.38 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.851 1.205 . . . . 0.0 109.924 173.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 t -64.35 -53.57 46.57 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.397 1.079 . . . . 0.0 110.986 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.08 -34.64 57.47 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 127.029 2.132 . . . . 0.0 111.861 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.23 -42.87 79.11 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.257 0.935 . . . . 0.0 111.049 174.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -62.47 -50.36 71.74 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 123.129 0.572 . . . . 0.0 109.576 176.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.72 -39.49 68.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.878 1.271 . . . . 0.0 110.527 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.27 85.77 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.274 -0.891 . . . . 0.0 112.262 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.92 82.47 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.459 -0.776 . . . . 0.0 110.329 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.21 -43.3 96.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.204 1.802 . . . . 0.0 110.006 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.84 -50.5 72.03 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 124.144 0.978 . . . . 0.0 109.143 174.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.8 t -57.72 -33.41 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 O-C-N 121.021 -1.049 . . . . 0.0 111.718 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.68 73.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.4 1.0 . . . . 0.0 110.731 173.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.25 96.09 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.512 -0.743 . . . . 0.0 109.035 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -63.68 -32.56 74.09 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 126.224 1.81 . . . . 0.0 110.5 174.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -49.24 72.63 Favored 'General case' 0 C--O 1.23 0.062 0 CA-C-N 120.125 1.33 . . . . 0.0 109.571 176.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -61.6 -52.56 63.87 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.65 -44.1 72.95 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.929 0.892 . . . . 0.0 111.657 -176.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.02 70.22 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 124.131 0.973 . . . . 0.0 109.463 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -41.63 89.37 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.843 0.747 . . . . 0.0 112.114 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -57.16 -50.9 71.4 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.956 2.102 . . . . 0.0 109.467 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.77 -40.59 97.06 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 125.193 1.397 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.9 -40.64 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 126.952 2.101 . . . . 0.0 110.501 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.45 82.02 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.089 0.859 . . . . 0.0 109.954 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.66 76.13 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.26 175.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -48.92 -42.47 37.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 126.417 1.887 . . . . 0.0 111.527 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.33 -52.95 57.53 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -75.95 -44.51 39.64 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.7 -40.31 72.23 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.229 1.411 . . . . 0.0 111.752 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.58 80.25 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.833 0.742 . . . . 0.0 109.89 174.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.04 73.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.878 0.871 . . . . 0.0 111.644 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -73.09 -40.46 64.97 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.73 2.412 . . . . 0.0 110.217 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.59 -30.84 67.52 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 120.163 1.347 . . . . 0.0 110.397 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.307 1.043 . . . . 0.0 108.982 173.471 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 C--O 1.206 -1.185 0 CA-C-O 115.736 -2.078 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.98 -28.43 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 123.05 2.659 . . . . 0.0 112.47 -170.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.58 -65.67 0.64 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.087 0.858 . . . . 0.0 110.203 173.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.1 m -68.72 -35.6 77.35 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.83 -39.74 92.85 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.81 1.644 . . . . 0.0 111.767 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.77 -42.65 85.76 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.859 0.754 . . . . 0.0 109.928 174.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -56.0 -59.23 5.2 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.36 -37.99 73.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.181 0.992 . . . . 0.0 111.615 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.86 94.18 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 118.769 0.713 . . . . 0.0 111.508 174.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.79 -35.97 64.99 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.538 -0.726 . . . . 0.0 111.124 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -62.39 -39.07 92.03 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.671 1.589 . . . . 0.0 109.962 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.46 -56.71 15.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.414 1.485 . . . . 0.0 110.187 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.15 -37.83 57.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.59 0.756 . . . . 0.0 111.005 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.97 -49.0 74.25 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.091 0.956 . . . . 0.0 111.06 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.29 98.87 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 119.064 0.847 . . . . 0.0 110.061 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -65.5 -17.5 64.6 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.243 1.017 . . . . 0.0 112.411 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.5 -50.05 68.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 119.93 1.241 . . . . 0.0 108.213 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -59.84 -59.97 4.59 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 124.936 1.294 . . . . 0.0 108.641 175.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.47 -37.11 64.85 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.51 -51.16 54.27 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.752 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.29 -37.1 74.35 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.96 1.254 . . . . 0.0 111.675 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -60.3 -45.18 94.27 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.48 1.512 . . . . 0.0 110.713 173.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -69.98 -40.93 75.06 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.825 1.25 . . . . 0.0 110.81 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.29 -37.1 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 109.495 174.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.42 81.42 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.514 1.052 . . . . 0.0 109.684 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.27 -25.35 68.02 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.375 -0.828 . . . . 0.0 112.805 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -75.34 -39.83 58.93 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 126.151 1.78 . . . . 0.0 109.2 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.4 98.92 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -56.34 -54.76 41.7 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 124.484 1.114 . . . . 0.0 108.881 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.12 -40.59 67.5 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.5 1.12 . . . . 0.0 112.406 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -51.26 65.08 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.21 73.88 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.594 1.158 . . . . 0.0 112.31 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.02 -42.89 79.97 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.664 1.986 . . . . 0.0 109.602 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.91 92.8 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.693 0.679 . . . . 0.0 110.664 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.7 t . . . . . 0 C--O 1.231 0.129 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.153 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 CA--C 1.492 -1.278 0 CA-C-O 116.55 -1.69 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.8 t -53.26 -31.54 18.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 120.721 1.601 . . . . 0.0 112.31 -169.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.32 -58.33 6.81 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 119.532 1.06 . . . . 0.0 110.577 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -69.13 -45.09 70.99 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -52.16 -54.23 33.33 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.468 1.507 . . . . 0.0 109.934 173.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.86 -33.33 70.33 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.112 0.869 . . . . 0.0 112.114 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -60.84 -59.11 5.9 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.22 -37.34 74.66 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.386 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.81 96.71 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.394 1.078 . . . . 0.0 111.832 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.31 91.4 Favored 'General case' 0 C--N 1.337 0.039 0 O-C-N 121.189 -0.944 . . . . 0.0 110.056 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -65.99 -28.8 69.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.863 0.865 . . . . 0.0 111.138 174.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.12 -52.61 26.47 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.512 -1.367 . . . . 0.0 109.864 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.63 -32.96 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.492 1.117 . . . . 0.0 110.304 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -56.01 18.43 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.884 1.22 . . . . 0.0 110.625 174.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.0 73.66 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.859 0.864 . . . . 0.0 111.297 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -66.59 -39.29 88.36 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.362 1.465 . . . . 0.0 112.829 173.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.09 75.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 119.554 1.07 . . . . 0.0 110.957 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -62.07 -57.31 12.06 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 173.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.68 60.94 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.138 0.975 . . . . 0.0 112.289 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -46.94 74.89 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.905 1.282 . . . . 0.0 110.665 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.29 79.86 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 118.98 0.809 . . . . 0.0 111.141 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -66.22 -35.44 80.45 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 124.79 1.236 . . . . 0.0 111.533 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -66.71 -52.31 46.0 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.832 1.653 . . . . 0.0 109.542 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.0 -40.37 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 126.215 1.806 . . . . 0.0 110.351 173.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.16 83.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.419 1.009 . . . . 0.0 111.078 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.59 98.9 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.729 -0.607 . . . . 0.0 110.867 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -60.62 -27.36 67.71 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 125.157 1.383 . . . . 0.0 113.224 174.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.96 98.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.498 1.045 . . . . 0.0 109.273 174.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -64.08 -56.26 16.25 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.58 58.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.825 0.85 . . . . 0.0 112.59 -177.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.42 -47.25 64.71 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.304 0.642 . . . . 0.0 110.685 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.99 86.25 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.77 0.828 . . . . 0.0 111.124 177.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.54 -57.41 12.84 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.245 2.218 . . . . 0.0 108.235 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.66 -38.62 67.14 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.061 0.846 . . . . 0.0 111.826 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.6 t . . . . . 0 CA--C 1.531 0.241 0 C-N-CA 123.792 0.837 . . . . 0.0 109.67 174.535 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 CA--C 1.497 -1.074 0 CA-C-O 116.27 -1.824 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.15 -42.25 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 121.149 1.795 . . . . 0.0 112.191 -168.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.8 -60.72 3.26 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 119.341 0.973 . . . . 0.0 112.234 173.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.1 t -62.12 -52.38 64.08 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.413 0.685 . . . . 0.0 110.598 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -51.62 -41.61 61.39 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 126.812 2.045 . . . . 0.0 111.529 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.15 -41.86 80.97 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.897 0.879 . . . . 0.0 109.728 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -60.96 -55.98 26.49 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.34 -43.64 67.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.749 1.22 . . . . 0.0 109.976 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.46 -36.17 75.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.32 -42.29 54.9 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.284 0.634 . . . . 0.0 110.748 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -60.82 -38.93 87.14 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.336 1.854 . . . . 0.0 111.222 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.56 -54.52 45.6 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.326 1.851 . . . . 0.0 108.706 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.92 -34.35 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 124.1 0.96 . . . . 0.0 111.802 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.36 69.65 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.742 1.156 . . . . 0.0 110.698 176.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.88 88.96 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 122.076 0.941 . . . . 0.0 110.747 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -72.58 -19.7 61.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.435 1.094 . . . . 0.0 111.481 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -37.18 83.43 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 120.271 1.396 . . . . 0.0 108.83 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -52.1 64.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.88 -46.11 60.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.044 0.938 . . . . 0.0 111.313 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.89 71.65 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.024 1.33 . . . . 0.0 110.554 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.2 75.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.036 0.535 . . . . 0.0 112.079 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.08 -45.26 77.86 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.614 1.965 . . . . 0.0 110.924 173.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.03 -45.38 93.82 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.688 1.195 . . . . 0.0 109.591 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 t -60.98 -38.28 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 124.853 1.261 . . . . 0.0 110.779 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.47 77.53 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.371 1.442 . . . . 0.0 111.061 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.61 92.63 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 122.816 0.446 . . . . 0.0 110.264 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -57.63 -40.35 79.01 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 125.741 1.616 . . . . 0.0 110.667 175.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.32 93.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.414 0.686 . . . . 0.0 109.659 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -62.37 1.9 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.6 -42.73 64.82 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.014 1.725 . . . . 0.0 112.761 -174.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.11 -52.53 64.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.383 0.538 . . . . 0.0 110.429 174.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.72 90.27 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.548 0.739 . . . . 0.0 110.869 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -56.78 -51.2 69.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 127.356 2.262 . . . . 0.0 110.279 175.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.34 -30.89 71.94 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.622 0.769 . . . . 0.0 111.638 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 CA--C 1.53 0.204 0 CA-C-N 119.404 1.002 . . . . 0.0 109.495 174.192 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 115.756 -2.069 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.35 -28.33 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 122.287 2.312 . . . . 0.0 112.535 -172.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.17 -60.93 2.33 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.94 1.246 . . . . 0.0 110.541 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -60.78 -51.53 68.96 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.984 0.514 . . . . 0.0 110.28 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.13 -35.56 71.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.317 1.447 . . . . 0.0 112.863 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 -34.41 59.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 120.128 1.331 . . . . 0.0 111.49 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -59.82 -52.84 63.71 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.5 66.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.363 1.465 . . . . 0.0 110.884 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.76 95.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 119.81 1.187 . . . . 0.0 111.375 174.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.76 76.73 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.794 -1.192 . . . . 0.0 109.93 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.99 -31.58 72.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.905 0.882 . . . . 0.0 110.686 173.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.72 -48.09 70.3 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.178 0.991 . . . . 0.0 108.63 173.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.06 -32.26 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.308 1.443 . . . . 0.0 111.603 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -50.13 50.64 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.449 1.1 . . . . 0.0 110.296 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.9 71.11 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.513 0.725 . . . . 0.0 109.776 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.55 -37.81 80.26 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.952 1.701 . . . . 0.0 113.103 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.44 87.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 120.16 1.346 . . . . 0.0 109.624 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -65.29 -66.23 0.57 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.241 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.76 68.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.09 69.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.437 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.91 81.07 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.006 0.821 . . . . 0.0 110.446 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -60.64 -43.88 97.05 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.657 1.583 . . . . 0.0 110.006 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.47 -46.84 74.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.829 0.852 . . . . 0.0 110.243 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.11 -36.45 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.585 1.154 . . . . 0.0 110.899 174.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 -52.27 63.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.786 0.721 . . . . 0.0 110.441 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.87 83.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.99 0.916 . . . . 0.0 111.556 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.74 -33.4 68.41 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 125.075 1.35 . . . . 0.0 110.937 175.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.72 89.62 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.388 0.995 . . . . 0.0 109.849 174.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -59.46 -58.07 10.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.1 -38.05 64.93 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.983 0.913 . . . . 0.0 112.033 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.29 -49.26 70.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.327 0.651 . . . . 0.0 110.354 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.13 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.439 0.696 . . . . 0.0 110.3 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.45 -46.03 87.38 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.678 1.591 . . . . 0.0 110.661 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.94 70.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.93 0.786 . . . . 0.0 111.815 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.234 0.268 0 CA-C-N 119.946 1.248 . . . . 0.0 108.068 173.77 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 . . . . . 0 CA--C 1.494 -1.178 0 CA-C-O 116.137 -1.887 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.37 -31.11 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 121.459 1.936 . . . . 0.0 111.563 -172.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.67 -61.98 2.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.477 1.035 . . . . 0.0 110.661 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -70.76 -46.16 63.46 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 118.247 -0.883 . . . . 0.0 112.677 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.78 -34.0 62.08 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.5 1.5 . . . . 0.0 112.822 174.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.09 -38.0 61.35 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 120.425 1.466 . . . . 0.0 111.776 174.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -65.47 -47.61 75.49 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.75 -38.49 75.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.528 1.531 . . . . 0.0 110.623 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.63 77.5 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.443 1.02 . . . . 0.0 112.096 174.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.38 -41.76 72.62 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.136 -0.977 . . . . 0.0 110.121 174.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -62.07 -33.74 74.97 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.291 1.837 . . . . 0.0 111.329 176.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.39 -59.13 3.96 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.08 1.752 . . . . 0.0 108.87 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.35 -33.18 30.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.098 1.359 . . . . 0.0 111.72 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.17 -59.64 4.18 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.173 0.989 . . . . 0.0 109.65 173.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.4 -30.39 68.42 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.345 0.593 . . . . 0.0 112.21 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -75.77 -26.04 56.99 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.585 1.554 . . . . 0.0 111.007 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.18 84.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.922 1.237 . . . . 0.0 108.19 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -55.76 -59.61 4.62 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.78 -42.58 58.06 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.105 0.962 . . . . 0.0 112.397 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.97 76.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.998 0.919 . . . . 0.0 110.54 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.64 -36.73 84.77 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.277 0.944 . . . . 0.0 111.679 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.65 -45.29 93.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.54 1.936 . . . . 0.0 109.888 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.31 -43.82 85.15 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 125.183 1.393 . . . . 0.0 110.697 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -58.94 -36.88 64.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.321 1.449 . . . . 0.0 110.454 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.08 84.14 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.378 0.99 . . . . 0.0 111.334 174.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.7 88.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.484 0.714 . . . . 0.0 111.246 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -60.06 -44.89 94.4 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 127.603 2.361 . . . . 0.0 110.366 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.83 -46.28 78.16 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 122.729 0.412 . . . . 0.0 110.157 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -61.54 -54.78 38.68 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 123.642 0.777 . . . . 0.0 110.653 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.84 72.08 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 125.009 1.324 . . . . 0.0 111.358 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.79 83.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.052 0.941 . . . . 0.0 110.82 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.31 83.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.174 0.59 . . . . 0.0 109.875 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -70.3 -32.08 69.69 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.548 1.939 . . . . 0.0 112.596 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.12 -32.02 72.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.657 1.117 . . . . 0.0 109.778 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 173.98 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 116.46 -1.733 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 t -50.28 -29.2 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 121.803 2.092 . . . . 0.0 112.205 -173.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.15 -65.86 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.419 1.009 . . . . 0.0 110.769 173.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 m -67.86 -44.8 76.28 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.902 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -52.96 -39.17 62.74 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 126.0 1.72 . . . . 0.0 111.539 174.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.83 96.14 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 119.899 1.227 . . . . 0.0 111.146 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -65.77 -48.67 71.04 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 121.478 -0.764 . . . . 0.0 109.02 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.16 -34.18 63.59 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.1 1.36 . . . . 0.0 111.586 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.8 87.75 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.592 1.157 . . . . 0.0 111.127 174.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.61 90.8 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.427 -0.796 . . . . 0.0 109.379 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.87 -36.11 82.83 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.683 1.593 . . . . 0.0 111.642 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.9 -54.3 40.73 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 124.932 1.293 . . . . 0.0 109.147 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.46 -32.0 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 124.332 1.053 . . . . 0.0 110.658 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -51.56 62.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 119.503 1.047 . . . . 0.0 110.16 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.97 94.23 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.649 0.78 . . . . 0.0 110.306 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -62.15 -42.43 99.24 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.726 1.61 . . . . 0.0 113.176 173.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.15 95.01 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.494 1.043 . . . . 0.0 110.796 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -63.58 -59.6 4.41 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.21 -39.82 45.47 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.847 1.259 . . . . 0.0 112.221 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.17 79.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.769 1.228 . . . . 0.0 111.349 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.44 -36.61 81.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.699 0.761 . . . . 0.0 110.975 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.22 -43.17 99.3 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.885 1.274 . . . . 0.0 110.0 173.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tt -65.24 -46.59 79.98 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.274 1.43 . . . . 0.0 110.061 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -55.05 -44.03 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.764 1.226 . . . . 0.0 111.306 174.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.77 62.47 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.706 1.139 . . . . 0.0 110.717 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 -27.49 68.78 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.575 -0.703 . . . . 0.0 111.509 175.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -73.97 -24.71 59.65 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 124.669 1.188 . . . . 0.0 112.242 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.63 77.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 120.367 1.44 . . . . 0.0 108.712 173.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -60.75 -54.96 38.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.58 67.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.171 0.988 . . . . 0.0 112.143 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.33 -38.38 87.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 119.025 0.829 . . . . 0.0 110.791 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.94 85.92 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 121.418 -0.802 . . . . 0.0 110.406 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -59.51 -43.52 93.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.907 1.683 . . . . 0.0 110.653 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.02 93.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.642 1.177 . . . . 0.0 110.348 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.343 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.205 -1.261 0 CA-C-O 116.06 -1.924 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.6 t -47.09 -34.12 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 121.755 2.07 . . . . 0.0 113.219 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -66.29 0.56 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.244 0.929 . . . . 0.0 110.524 173.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.7 m -67.34 -38.19 84.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.777 -0.577 . . . . 0.0 112.302 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.87 -37.67 77.07 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.958 1.703 . . . . 0.0 110.627 173.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 120.143 1.338 . . . . 0.0 110.211 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -62.34 -55.33 29.12 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.5 62.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.787 1.235 . . . . 0.0 111.553 -177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -50.69 64.59 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 124.818 1.247 . . . . 0.0 111.352 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.43 87.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.198 0.908 . . . . 0.0 111.224 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.5 -44.02 93.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.743 1.617 . . . . 0.0 109.907 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -44.54 76.79 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.753 0.821 . . . . 0.0 109.866 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.85 -34.94 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 120.949 -1.094 . . . . 0.0 110.679 174.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.14 82.16 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.905 1.229 . . . . 0.0 111.217 173.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.41 94.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.255 0.622 . . . . 0.0 110.619 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -65.51 -34.93 79.41 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 125.634 1.574 . . . . 0.0 111.285 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.87 97.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.34 0.973 . . . . 0.0 110.21 174.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -62.11 -54.37 42.18 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.45 70.34 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.623 0.769 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.74 91.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.943 0.897 . . . . 0.0 110.927 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.31 98.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.915 0.486 . . . . 0.0 110.641 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.39 -40.26 93.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.172 1.789 . . . . 0.0 111.392 173.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.26 -53.21 59.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.701 0.8 . . . . 0.0 109.104 175.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.56 -35.51 63.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.133 0.973 . . . . 0.0 110.552 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.22 58.14 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.573 1.079 . . . . 0.0 110.93 176.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.52 91.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.462 -0.774 . . . . 0.0 110.509 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.78 -22.31 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 113.204 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.15 66.91 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -54.49 46.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.52 1.128 . . . . 0.0 108.982 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.6 76.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.365 1.066 . . . . 0.0 112.227 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.61 77.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.057 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.07 -43.74 95.25 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.654 0.661 . . . . 0.0 110.273 174.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.11 -49.22 78.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.846 1.659 . . . . 0.0 109.553 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.485 1.114 . . . . 0.0 111.302 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 CA--C 1.532 0.28 0 C-N-CA 123.496 0.718 . . . . 0.0 109.478 174.019 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 117.409 -1.281 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -52.78 -27.18 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 121.303 1.865 . . . . 0.0 113.36 -172.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.13 -58.83 4.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.404 1.002 . . . . 0.0 110.236 173.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 p -70.58 -43.25 69.81 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.299 0.64 . . . . 0.0 112.214 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.67 -45.59 73.9 Favored 'General case' 0 N--CA 1.46 0.029 0 CA-C-N 120.163 1.347 . . . . 0.0 110.937 173.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.52 95.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.156 0.889 . . . . 0.0 110.981 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -57.44 -57.94 10.48 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 123.447 0.699 . . . . 0.0 109.39 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.31 -39.12 66.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.533 1.533 . . . . 0.0 110.87 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.44 93.36 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 119.502 1.047 . . . . 0.0 111.479 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.51 90.06 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.555 -0.715 . . . . 0.0 110.938 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -60.45 -45.68 92.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.559 1.543 . . . . 0.0 111.594 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.53 -50.17 74.75 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.541 1.136 . . . . 0.0 108.705 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.95 -35.79 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 118.314 -0.85 . . . . 0.0 111.449 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.86 90.79 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 120.677 1.581 . . . . 0.0 111.328 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.21 97.17 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.706 0.802 . . . . 0.0 110.645 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -60.22 -45.99 91.31 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 124.886 1.274 . . . . 0.0 110.329 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.7 71.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.846 0.858 . . . . 0.0 110.231 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -65.95 -62.7 1.35 Allowed 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.46 -35.54 52.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.277 1.031 . . . . 0.0 112.221 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.1 -53.59 29.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.819 2.047 . . . . 0.0 109.688 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.26 73.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.689 1.131 . . . . 0.0 111.914 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -68.82 -39.06 80.22 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.61 1.964 . . . . 0.0 109.874 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 tt -69.3 -38.06 78.09 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 120.911 -1.118 . . . . 0.0 110.644 173.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.18 -37.37 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 126.546 1.938 . . . . 0.0 109.103 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.6 76.89 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.621 1.1 . . . . 0.0 110.158 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.63 92.05 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 121.826 -0.546 . . . . 0.0 111.44 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -61.72 -38.04 86.42 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.34 1.856 . . . . 0.0 111.448 174.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.45 -48.53 74.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -55.76 -63.74 1.08 Allowed 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.49 -32.99 63.3 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.515 1.526 . . . . 0.0 113.03 -174.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.52 -49.33 33.62 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 119.069 0.85 . . . . 0.0 110.534 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.89 81.47 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.792 0.837 . . . . 0.0 110.833 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.18 -53.98 47.5 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.701 2.0 . . . . 0.0 107.473 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.21 -32.38 66.44 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.068 0.849 . . . . 0.0 112.686 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.27 -55.25 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.432 1.093 . . . . 0.0 108.943 174.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.73 80.8 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.805 0.842 . . . . 0.0 111.281 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -67.95 -9.3 44.18 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.7 1.6 . . . . 0.0 112.868 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 120.216 1.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 C--O 1.209 -1.042 0 CA-C-O 116.824 -1.56 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.33 -23.02 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 121.603 2.002 . . . . 0.0 112.124 -170.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.04 -59.95 2.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.524 -1.36 . . . . 0.0 109.142 173.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -61.23 -55.43 32.08 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.605 1.162 . . . . 0.0 111.034 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.32 -34.01 66.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.269 1.828 . . . . 0.0 112.429 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.28 65.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 120.685 1.584 . . . . 0.0 111.122 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -60.62 -50.06 75.04 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.28 -42.54 70.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.694 1.597 . . . . 0.0 110.234 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -36.3 83.71 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.048 0.84 . . . . 0.0 112.349 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.21 74.64 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 119.232 0.924 . . . . 0.0 109.329 174.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -58.29 -38.18 76.5 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.608 1.563 . . . . 0.0 111.174 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.24 -57.46 10.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.149 1.379 . . . . 0.0 109.295 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.3 t -58.9 -30.47 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.174 1.389 . . . . 0.0 111.445 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.59 -55.58 11.1 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.88 1.272 . . . . 0.0 110.671 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.13 73.57 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.415 0.626 . . . . 0.0 110.36 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -73.2 -30.78 63.76 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.514 1.526 . . . . 0.0 112.576 175.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.75 90.57 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 120.55 1.523 . . . . 0.0 109.45 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -67.4 -58.51 4.65 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.3 -38.21 57.83 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.757 1.223 . . . . 0.0 113.06 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.04 -53.37 39.33 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.696 1.198 . . . . 0.0 109.342 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.44 -32.85 74.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.798 0.726 . . . . 0.0 111.946 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.05 -43.92 94.05 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.28 1.432 . . . . 0.0 109.842 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.12 -45.56 88.06 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.676 1.191 . . . . 0.0 110.603 174.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.63 -36.26 64.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 125.526 1.53 . . . . 0.0 110.215 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.15 83.02 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.311 1.414 . . . . 0.0 110.456 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.87 88.91 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.279 -0.888 . . . . 0.0 110.619 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -66.37 -30.96 71.46 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 125.759 1.624 . . . . 0.0 110.403 174.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.32 -53.81 42.95 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 174.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -53.66 -62.39 1.68 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 126.122 1.769 . . . . 0.0 110.027 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.5 82.27 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.224 2.209 . . . . 0.0 112.734 -174.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.75 -45.16 75.73 Favored 'General case' 0 CA--C 1.526 0.053 0 CA-C-N 119.133 0.879 . . . . 0.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.18 -40.14 84.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.933 0.493 . . . . 0.0 110.149 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -61.44 -44.65 96.75 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.762 0.825 . . . . 0.0 111.002 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.69 84.55 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.721 1.146 . . . . 0.0 111.32 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.42 -47.55 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.73 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.39 90.75 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.865 0.866 . . . . 0.0 111.11 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -66.47 -9.04 30.36 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.211 1.004 . . . . 0.0 111.982 174.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 120.392 1.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.209 -1.075 0 CA-C-O 116.332 -1.794 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 t -48.42 -34.48 5.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.491 0 CA-C-N 121.435 1.925 . . . . 0.0 112.261 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.21 -62.83 1.5 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.926 0.784 . . . . 0.0 111.865 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -66.07 -42.25 89.69 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.462 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.58 -39.18 92.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 126.562 1.945 . . . . 0.0 113.442 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.97 70.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.79 1.177 . . . . 0.0 110.062 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -56.2 -55.32 34.6 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.21 -33.76 67.85 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.592 1.157 . . . . 0.0 111.347 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.37 94.11 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 120.058 1.299 . . . . 0.0 112.136 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.87 83.84 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.308 -0.87 . . . . 0.0 110.189 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.07 -43.67 91.46 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.151 1.381 . . . . 0.0 111.303 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.14 -51.3 69.87 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.849 1.26 . . . . 0.0 109.614 174.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.06 -39.74 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 117.063 -1.446 . . . . 0.0 111.39 173.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.94 -54.35 43.03 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 120.245 1.384 . . . . 0.0 110.341 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.01 -45.25 79.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.303 0.641 . . . . 0.0 110.275 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -61.16 -40.19 92.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 125.357 1.463 . . . . 0.0 113.816 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.01 -33.07 71.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 119.223 0.919 . . . . 0.0 110.698 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -65.23 -53.68 40.82 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.75 62.11 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.976 1.31 . . . . 0.0 111.62 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.42 -48.6 72.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.371 1.068 . . . . 0.0 110.893 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.98 86.99 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.975 0.807 . . . . 0.0 111.341 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -61.42 -43.82 98.21 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.281 1.432 . . . . 0.0 110.108 174.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.58 -47.35 76.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.267 1.427 . . . . 0.0 110.49 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.0 -35.99 54.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 124.574 1.15 . . . . 0.0 110.054 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.51 85.73 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 120.441 1.473 . . . . 0.0 111.77 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.95 93.2 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.183 -0.948 . . . . 0.0 110.343 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -65.64 -27.26 68.25 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.758 1.223 . . . . 0.0 112.948 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.0 95.59 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.327 0.967 . . . . 0.0 109.004 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -64.14 -53.12 54.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.132 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.66 -47.97 49.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.687 1.595 . . . . 0.0 112.123 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.84 77.38 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.477 0.711 . . . . 0.0 110.609 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.7 84.29 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.408 0.683 . . . . 0.0 110.762 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -53.68 -54.68 34.44 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.673 1.989 . . . . 0.0 110.031 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.82 78.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.54 0.736 . . . . 0.0 112.22 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.8 t -67.26 -57.54 9.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 119.044 0.838 . . . . 0.0 108.927 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.02 -46.5 82.31 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.705 0.802 . . . . 0.0 110.448 -176.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -95.79 36.01 1.33 Allowed 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.301 1.041 . . . . 0.0 110.443 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 121.447 -0.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 . . . . . 0 C--O 1.206 -1.189 0 CA-C-O 116.747 -1.597 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t -51.96 -31.22 13.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 121.074 1.761 . . . . 0.0 112.026 -169.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.34 -59.49 4.31 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.593 1.088 . . . . 0.0 111.624 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.3 t -59.68 -51.98 67.49 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.626 1.57 . . . . 0.0 110.325 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.01 -44.86 96.79 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 126.678 1.991 . . . . 0.0 111.499 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.8 -33.84 76.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 119.859 1.209 . . . . 0.0 111.161 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -53.99 51.16 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 121.383 -0.823 . . . . 0.0 108.813 174.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.21 -37.52 69.77 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 124.051 0.94 . . . . 0.0 111.235 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.12 88.85 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 124.289 1.036 . . . . 0.0 111.779 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.77 -47.1 55.87 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 123.418 0.687 . . . . 0.0 110.096 174.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.72 -38.4 81.57 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.437 1.495 . . . . 0.0 111.352 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.97 -54.78 42.78 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.601 1.161 . . . . 0.0 109.673 173.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.89 -35.62 57.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 124.45 1.1 . . . . 0.0 110.876 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.68 70.6 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 119.313 0.96 . . . . 0.0 110.209 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.41 89.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.433 0.635 . . . . 0.0 109.698 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.511 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 68.5 m-20 -63.96 -24.96 67.93 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.026 1.33 . . . . 0.0 112.311 -176.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.64 97.31 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.726 1.148 . . . . 0.0 109.636 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -72.44 -46.88 52.96 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' ' 16' ' ' ASN . . . -55.27 -33.08 62.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.217 0.607 . . . . 0.0 112.206 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.68 70.96 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.289 1.436 . . . . 0.0 109.834 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.1 94.54 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.67 0.388 . . . . 0.0 111.474 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.35 -44.15 92.72 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.198 1.799 . . . . 0.0 110.015 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.1 -47.89 78.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.107 0.963 . . . . 0.0 110.151 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.15 -38.42 74.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.015 1.326 . . . . 0.0 110.748 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.24 90.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.251 0.932 . . . . 0.0 110.891 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.37 92.73 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.627 -0.67 . . . . 0.0 110.628 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -58.78 -30.14 67.35 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.721 1.208 . . . . 0.0 111.752 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.64 97.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.389 0.995 . . . . 0.0 110.408 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -51.28 61.87 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.73 63.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.816 1.246 . . . . 0.0 112.496 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.12 -52.09 31.77 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.937 0.895 . . . . 0.0 109.66 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.75 -34.54 71.5 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.597 0.635 . . . . 0.0 112.302 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -65.94 -52.93 45.46 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.695 1.598 . . . . 0.0 108.797 174.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.03 77.68 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 118.673 0.67 . . . . 0.0 112.303 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 t -57.99 -58.92 4.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 125.855 1.662 . . . . 0.0 108.633 173.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.37 79.81 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.422 0.689 . . . . 0.0 111.517 -177.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -69.38 -8.96 51.13 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.31 1.044 . . . . 0.0 112.468 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 120.181 1.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 116.783 -1.579 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t -50.37 -31.07 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 120.735 1.607 . . . . 0.0 113.16 -173.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.33 -65.21 0.71 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 119.694 1.134 . . . . 0.0 110.246 173.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.3 t -57.43 -50.21 73.74 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.776 0.83 . . . . 0.0 110.111 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -33.4 71.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.213 1.805 . . . . 0.0 112.465 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.41 71.46 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 120.387 1.449 . . . . 0.0 108.765 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -57.12 -57.8 10.98 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.33 1.052 . . . . 0.0 109.027 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.23 72.74 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.322 1.449 . . . . 0.0 110.935 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.07 93.47 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 120.252 1.387 . . . . 0.0 112.087 176.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.07 -42.59 84.43 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.375 -0.828 . . . . 0.0 109.966 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.55 -30.66 71.69 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.808 1.243 . . . . 0.0 111.532 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -67.64 -46.66 71.81 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.312 1.445 . . . . 0.0 109.287 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.36 -34.55 64.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 125.713 1.605 . . . . 0.0 111.54 174.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -52.04 55.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.122 0.874 . . . . 0.0 109.583 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.33 -37.26 69.72 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.088 0.555 . . . . 0.0 111.113 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -64.51 -44.11 91.95 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.2 1.4 . . . . 0.0 111.416 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.33 -44.1 83.94 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.448 0.699 . . . . 0.0 110.021 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -63.88 -57.89 8.46 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.99 -40.17 60.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.971 1.308 . . . . 0.0 112.838 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.63 -54.95 23.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.953 1.301 . . . . 0.0 109.476 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -33.77 73.71 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.414 0.552 . . . . 0.0 111.927 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.11 -46.17 82.14 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.32 1.848 . . . . 0.0 110.829 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.53 -46.46 88.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.222 1.009 . . . . 0.0 110.348 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.14 -32.6 56.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.423 1.089 . . . . 0.0 110.071 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.48 -38.28 80.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 119.437 1.017 . . . . 0.0 111.799 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.95 -48.25 71.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 119.028 0.831 . . . . 0.0 109.299 173.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -52.07 -39.19 59.3 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.723 1.209 . . . . 0.0 110.651 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.02 -50.66 72.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.866 0.757 . . . . 0.0 110.478 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.62 -56.43 15.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.232 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.25 -39.51 72.68 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 124.257 1.023 . . . . 0.0 112.251 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.83 76.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.388 1.075 . . . . 0.0 111.05 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.79 98.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.782 0.833 . . . . 0.0 110.443 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -60.15 -43.67 95.57 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.047 1.739 . . . . 0.0 110.804 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.24 98.15 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.109 0.564 . . . . 0.0 110.847 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t -66.16 -41.24 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.333 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.08 -47.91 79.86 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.74 0.7 . . . . 0.0 109.651 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -71.36 2.81 4.35 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 174.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 120.688 1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.205 -1.261 0 CA-C-O 116.06 -1.924 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.6 t -47.09 -34.12 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 121.755 2.07 . . . . 0.0 113.219 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -66.29 0.56 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.244 0.929 . . . . 0.0 110.524 173.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.7 m -67.34 -38.19 84.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.777 -0.577 . . . . 0.0 112.302 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.87 -37.67 77.07 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.958 1.703 . . . . 0.0 110.627 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 120.143 1.338 . . . . 0.0 110.211 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -62.34 -55.33 29.12 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.5 62.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.787 1.235 . . . . 0.0 111.553 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -50.69 64.59 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 124.818 1.247 . . . . 0.0 111.352 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.43 87.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.198 0.908 . . . . 0.0 111.224 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.5 -44.02 93.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.743 1.617 . . . . 0.0 109.907 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -44.54 76.79 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.753 0.821 . . . . 0.0 109.866 178.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.85 -34.94 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 120.949 -1.094 . . . . 0.0 110.679 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.14 82.16 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.905 1.229 . . . . 0.0 111.217 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.41 94.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.255 0.622 . . . . 0.0 110.619 174.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -65.51 -34.93 79.41 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 125.634 1.574 . . . . 0.0 111.285 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.87 97.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.34 0.973 . . . . 0.0 110.21 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -62.11 -54.37 42.18 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.45 70.34 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.623 0.769 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.74 91.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.943 0.897 . . . . 0.0 110.927 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.31 98.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.915 0.486 . . . . 0.0 110.641 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.39 -40.26 93.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.172 1.789 . . . . 0.0 111.392 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.26 -53.21 59.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.701 0.8 . . . . 0.0 109.104 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.56 -35.51 63.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.133 0.973 . . . . 0.0 110.552 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.22 58.14 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.573 1.079 . . . . 0.0 110.93 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.52 91.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.462 -0.774 . . . . 0.0 110.509 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.78 -22.31 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 113.204 173.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.15 66.91 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -54.49 46.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.52 1.128 . . . . 0.0 108.982 175.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.6 76.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.365 1.066 . . . . 0.0 112.227 -175.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.61 77.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.057 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.07 -43.74 95.25 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.654 0.661 . . . . 0.0 110.273 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.11 -49.22 78.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.846 1.659 . . . . 0.0 109.553 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.485 1.114 . . . . 0.0 111.302 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.3 -44.83 90.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.496 0.718 . . . . 0.0 109.478 174.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.75 -28.87 70.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.782 0.719 . . . . 0.0 112.005 175.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -81.53 -3.12 52.27 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.402 1.081 . . . . 0.0 111.546 173.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 120.703 1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 115.756 -2.069 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.35 -28.33 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 122.287 2.312 . . . . 0.0 112.535 -172.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.17 -60.93 2.33 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.94 1.246 . . . . 0.0 110.541 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -60.78 -51.53 68.96 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.984 0.514 . . . . 0.0 110.28 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.13 -35.56 71.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.317 1.447 . . . . 0.0 112.863 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 -34.41 59.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 120.128 1.331 . . . . 0.0 111.49 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -59.82 -52.84 63.71 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.5 66.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.363 1.465 . . . . 0.0 110.884 174.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.76 95.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 119.81 1.187 . . . . 0.0 111.375 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.76 76.73 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.794 -1.192 . . . . 0.0 109.93 174.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.99 -31.58 72.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.905 0.882 . . . . 0.0 110.686 173.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.72 -48.09 70.3 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.178 0.991 . . . . 0.0 108.63 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.06 -32.26 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.308 1.443 . . . . 0.0 111.603 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -50.13 50.64 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.449 1.1 . . . . 0.0 110.296 174.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.9 71.11 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.513 0.725 . . . . 0.0 109.776 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.55 -37.81 80.26 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.952 1.701 . . . . 0.0 113.103 173.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.44 87.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 120.16 1.346 . . . . 0.0 109.624 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -65.29 -66.23 0.57 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.241 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.76 68.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.09 69.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.437 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.91 81.07 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.006 0.821 . . . . 0.0 110.446 176.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -60.64 -43.88 97.05 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.657 1.583 . . . . 0.0 110.006 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.47 -46.84 74.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.829 0.852 . . . . 0.0 110.243 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.11 -36.45 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.585 1.154 . . . . 0.0 110.899 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 -52.27 63.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.786 0.721 . . . . 0.0 110.441 176.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.87 83.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.99 0.916 . . . . 0.0 111.556 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.74 -33.4 68.41 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 125.075 1.35 . . . . 0.0 110.937 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.72 89.62 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.388 0.995 . . . . 0.0 109.849 174.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -59.46 -58.07 10.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.1 -38.05 64.93 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.983 0.913 . . . . 0.0 112.033 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.29 -49.26 70.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.327 0.651 . . . . 0.0 110.354 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.13 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.439 0.696 . . . . 0.0 110.3 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.45 -46.03 87.38 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.678 1.591 . . . . 0.0 110.661 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.94 70.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.93 0.786 . . . . 0.0 111.815 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.3 -53.47 32.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 119.946 1.248 . . . . 0.0 108.068 173.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.24 -29.98 70.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.434 1.094 . . . . 0.0 112.275 -177.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -66.93 -12.14 58.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.165 0.986 . . . . 0.0 112.37 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 120.396 1.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--O 1.209 -1.039 0 CA-C-O 116.322 -1.799 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.28 -33.8 21.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 121.32 1.873 . . . . 0.0 112.279 -169.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.26 -57.92 6.5 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 119.568 1.077 . . . . 0.0 111.129 173.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -52.26 65.98 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.417 0.287 . . . . 0.0 110.694 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.6 -38.95 67.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.621 1.968 . . . . 0.0 111.558 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.59 -49.59 65.86 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -57.27 -57.03 14.4 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 123.366 0.666 . . . . 0.0 109.286 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.9 80.01 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.155 1.382 . . . . 0.0 111.03 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.3 99.17 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.092 0.557 . . . . 0.0 111.599 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.61 -41.64 83.68 Favored 'General case' 0 C--O 1.225 -0.19 0 O-C-N 121.481 -0.762 . . . . 0.0 110.528 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.0 -44.52 94.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.013 2.125 . . . . 0.0 110.777 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.87 -50.21 71.25 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.506 0.723 . . . . 0.0 109.858 174.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.21 -29.83 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.073 0.949 . . . . 0.0 111.688 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.24 80.13 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.308 1.043 . . . . 0.0 109.6 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.97 95.87 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 123.791 0.836 . . . . 0.0 109.841 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -53.64 -39.18 64.79 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 125.18 1.392 . . . . 0.0 111.214 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.62 71.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.051 0.841 . . . . 0.0 110.437 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -75.7 -52.05 11.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.416 0.686 . . . . 0.0 109.328 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -44.23 81.08 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.556 1.542 . . . . 0.0 112.371 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.05 -41.76 90.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.08 82.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.913 0.778 . . . . 0.0 111.876 175.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -63.87 -39.95 95.4 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.676 1.99 . . . . 0.0 109.947 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.2 -46.44 80.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.66 1.184 . . . . 0.0 110.046 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.07 -34.65 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 126.153 1.781 . . . . 0.0 110.983 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.5 82.9 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.529 1.059 . . . . 0.0 110.95 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.3 96.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.797 0.439 . . . . 0.0 111.057 174.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -57.19 -42.13 80.63 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 124.773 1.229 . . . . 0.0 109.938 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.14 90.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 118.466 0.575 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -63.53 -61.71 2.15 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 174.468 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.7 -35.16 60.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.548 1.139 . . . . 0.0 112.52 -175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.34 -53.48 29.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.043 0.937 . . . . 0.0 110.369 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.37 -43.12 78.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.422 0.689 . . . . 0.0 110.461 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.94 -41.21 97.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.961 2.105 . . . . 0.0 110.972 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.93 -28.95 66.0 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 121.52 -0.738 . . . . 0.0 111.377 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.0 -49.76 47.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.8 -50.96 67.24 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.244 1.417 . . . . 0.0 110.561 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -96.5 40.33 1.13 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.096 0.958 . . . . 0.0 111.003 173.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 120.755 -1.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 C--O 1.203 -1.345 0 CA-C-O 116.534 -1.698 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.78 -28.07 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 121.615 2.007 . . . . 0.0 112.153 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.13 -59.36 4.19 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.197 -0.939 . . . . 0.0 110.321 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.3 p -62.56 -51.06 68.87 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -56.97 -33.75 67.37 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 126.827 2.051 . . . . 0.0 111.94 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -39.93 68.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 119.953 1.252 . . . . 0.0 111.096 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HE3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.32 -49.96 69.68 Favored 'General case' 0 C--O 1.226 -0.177 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 176.739 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.37 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 126.145 1.778 . . . . 0.0 110.112 174.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.98 90.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.579 1.081 . . . . 0.0 111.851 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.84 72.66 Favored 'General case' 0 C--O 1.227 -0.113 0 O-C-N 121.32 -0.862 . . . . 0.0 109.664 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.94 -33.3 70.43 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.537 1.535 . . . . 0.0 111.175 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tt -64.84 -58.19 6.86 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.388 1.875 . . . . 0.0 108.867 173.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.36 -30.87 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.406 1.082 . . . . 0.0 111.854 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.83 -48.74 35.29 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.736 1.615 . . . . 0.0 111.208 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.1 80.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.195 0.521 . . . . 0.0 109.819 174.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -67.94 -35.94 79.26 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 125.26 1.424 . . . . 0.0 110.756 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.76 91.69 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 120.117 1.326 . . . . 0.0 110.656 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -65.67 -57.8 7.22 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.88 -35.09 61.2 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.776 1.23 . . . . 0.0 112.418 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.21 -52.6 64.1 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.016 1.326 . . . . 0.0 110.316 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.24 85.15 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.619 0.768 . . . . 0.0 111.56 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.21 -44.75 96.78 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.93 1.292 . . . . 0.0 109.77 174.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.76 -43.4 84.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.533 1.133 . . . . 0.0 110.823 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.72 -40.74 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.589 1.155 . . . . 0.0 110.319 174.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.71 93.38 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.065 1.302 . . . . 0.0 110.818 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.63 79.23 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.981 -1.074 . . . . 0.0 111.756 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -68.04 -23.56 64.99 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.466 1.507 . . . . 0.0 111.836 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.88 83.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -63.68 -51.98 62.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.95 -41.97 62.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.637 1.175 . . . . 0.0 112.165 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.6 78.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.341 0.519 . . . . 0.0 111.419 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.17 93.45 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 118.648 0.658 . . . . 0.0 111.437 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.3 -46.01 91.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.521 1.928 . . . . 0.0 109.872 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.14 -48.04 77.6 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.195 -0.941 . . . . 0.0 110.783 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.4 t -57.62 -43.56 83.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.886 0.875 . . . . 0.0 109.185 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.6 88.19 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.953 0.901 . . . . 0.0 111.886 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -77.92 -0.53 27.89 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.404 -0.81 . . . . 0.0 112.568 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 O-C-N 120.423 -1.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 . . . . . 0 CA--C 1.497 -1.075 0 CA-C-O 116.693 -1.623 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.16 -31.86 22.44 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-N 121.474 1.943 . . . . 0.0 111.972 -170.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.16 -48.72 78.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 119.205 0.912 . . . . 0.0 112.627 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -73.91 -48.6 29.66 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.787 0.721 . . . . 0.0 111.55 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.67 -35.18 78.84 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.634 1.574 . . . . 0.0 111.803 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.03 89.08 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 119.947 1.249 . . . . 0.0 110.7 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -61.22 -56.44 20.62 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 123.949 0.899 . . . . 0.0 108.853 175.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.54 -34.79 73.09 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.833 1.253 . . . . 0.0 111.377 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.24 -49.6 71.29 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.299 1.04 . . . . 0.0 109.94 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.42 98.61 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 122.765 0.426 . . . . 0.0 111.001 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.55 -40.31 92.73 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 125.11 1.364 . . . . 0.0 110.888 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.58 -44.83 92.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.815 -0.553 . . . . 0.0 110.159 173.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.32 -42.19 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.344 1.058 . . . . 0.0 110.419 175.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.92 -49.91 75.84 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.302 0.955 . . . . 0.0 109.727 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.57 -44.63 89.8 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.285 0.493 . . . . 0.0 111.141 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.73 -30.05 71.05 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 127.101 2.161 . . . . 0.0 111.665 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.74 -33.05 72.33 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.825 1.193 . . . . 0.0 110.691 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -68.69 -54.03 18.64 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.342 1.057 . . . . 0.0 108.824 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.25 62.63 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.322 1.049 . . . . 0.0 112.119 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.87 81.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.099 1.36 . . . . 0.0 110.357 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.18 86.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.165 0.507 . . . . 0.0 111.5 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.09 -43.84 98.28 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.049 1.339 . . . . 0.0 108.868 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.09 -39.54 95.01 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.773 174.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.7 t -59.64 -37.45 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.648 1.567 . . . . 0.0 110.476 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.42 70.85 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 119.218 0.917 . . . . 0.0 110.758 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.68 80.25 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.94 -0.475 . . . . 0.0 110.944 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -62.13 -36.08 80.69 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.162 2.185 . . . . 0.0 111.497 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.56 -44.6 77.84 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.595 1.089 . . . . 0.0 110.339 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -57.93 -55.89 29.09 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.713 0.768 . . . . 0.0 109.088 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.65 -28.87 64.11 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.619 1.168 . . . . 0.0 112.756 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.8 -41.58 62.15 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 119.618 1.099 . . . . 0.0 110.465 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.43 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.653 0.661 . . . . 0.0 109.293 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.75 -41.44 95.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.974 1.31 . . . . 0.0 110.067 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.89 85.28 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.937 0.895 . . . . 0.0 111.853 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 t -64.73 -47.07 90.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.977 1.311 . . . . 0.0 109.539 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.4 91.04 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.314 0.578 . . . . 0.0 110.144 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -72.08 7.63 1.59 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.396 1.478 . . . . 0.0 112.892 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 120.179 1.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 CA--C 1.501 -0.913 0 CA-C-O 116.716 -1.611 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.4 t -49.38 -37.62 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 121.352 1.887 . . . . 0.0 112.177 -169.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.62 -60.04 4.28 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.745 0.702 . . . . 0.0 111.752 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.6 m -65.03 -44.03 90.48 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.271 -0.893 . . . . 0.0 112.317 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.81 -34.29 69.49 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.879 2.071 . . . . 0.0 111.002 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.63 -43.5 84.55 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -63.12 -50.7 69.42 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.54 -42.65 71.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.563 0.745 . . . . 0.0 110.916 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.54 82.6 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 118.654 0.661 . . . . 0.0 111.81 174.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.82 -36.64 64.96 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.208 -0.933 . . . . 0.0 111.677 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -63.42 -37.8 88.69 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.916 2.086 . . . . 0.0 110.157 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.18 -55.36 29.44 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.025 1.33 . . . . 0.0 109.186 173.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.8 t -61.34 -32.73 53.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.695 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.08 69.97 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.613 1.097 . . . . 0.0 110.934 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.66 -45.1 93.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.453 0.644 . . . . 0.0 109.794 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -66.2 -32.48 73.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.025 1.33 . . . . 0.0 111.488 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.38 98.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -61.55 -56.47 19.65 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 118.117 -0.944 . . . . 0.0 109.022 174.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.0 -46.51 68.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.984 1.713 . . . . 0.0 112.642 -174.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.87 -48.63 80.91 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.715 0.806 . . . . 0.0 109.528 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.38 -25.72 66.1 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.09 -40.73 74.78 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.185 1.794 . . . . 0.0 109.814 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.2 -53.98 40.72 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.943 1.697 . . . . 0.0 109.114 174.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.34 -33.77 48.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 125.191 1.397 . . . . 0.0 111.374 175.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.89 74.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.768 1.167 . . . . 0.0 111.725 176.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.41 87.55 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.285 -0.885 . . . . 0.0 109.742 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.58 -25.85 68.42 Favored 'General case' 0 C--O 1.225 -0.202 0 O-C-N 121.671 -0.643 . . . . 0.0 111.036 173.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.27 95.3 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.618 1.099 . . . . 0.0 109.299 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -60.1 -54.73 42.47 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.34 -45.51 55.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.493 1.117 . . . . 0.0 111.761 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.42 78.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.127 0.971 . . . . 0.0 112.338 -177.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.97 -49.71 27.53 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 119.445 1.02 . . . . 0.0 109.611 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -56.07 -39.84 72.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.862 1.665 . . . . 0.0 111.674 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.03 99.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.825 1.25 . . . . 0.0 110.543 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.68 -46.19 96.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.242 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.21 -48.84 80.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.783 0.833 . . . . 0.0 111.053 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 mtt85 -72.6 3.59 4.82 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.03 -1.044 . . . . 0.0 113.524 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 120.527 1.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 CA--C 1.498 -1.056 0 CA-C-O 116.405 -1.759 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.9 t -46.9 -38.33 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 121.425 1.92 . . . . 0.0 112.8 -170.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.7 -60.08 3.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.051 0.94 . . . . 0.0 113.039 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.6 t -58.73 -50.98 71.91 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.595 0.758 . . . . 0.0 109.631 177.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -51.06 -45.58 61.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.043 1.337 . . . . 0.0 110.857 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.01 82.95 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.117 0.871 . . . . 0.0 110.822 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -60.26 3.7 Favored 'General case' 0 C--N 1.339 0.112 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 174.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.74 -36.76 67.63 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.947 0.899 . . . . 0.0 111.734 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.65 93.87 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.998 1.719 . . . . 0.0 111.689 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.45 -40.3 77.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.991 0.517 . . . . 0.0 110.03 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.02 -40.54 93.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.456 1.503 . . . . 0.0 111.152 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.76 -47.09 87.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.253 1.021 . . . . 0.0 109.133 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.0 -36.28 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.065 1.346 . . . . 0.0 111.188 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.75 69.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.15 0.98 . . . . 0.0 109.8 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.55 84.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 119.02 0.827 . . . . 0.0 110.135 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 73.0 m-20 -63.38 -19.25 64.51 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-O 117.952 -1.023 . . . . 0.0 112.887 176.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.02 91.57 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.588 1.085 . . . . 0.0 109.223 173.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.57 -57.86 8.79 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 16' ' ' ASN . . . -49.63 -45.13 47.92 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.585 1.154 . . . . 0.0 111.507 -174.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.05 -54.98 39.63 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.441 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.49 82.82 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.509 1.049 . . . . 0.0 111.793 -177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -60.08 -50.28 74.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.223 1.809 . . . . 0.0 110.025 174.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.8 -46.67 84.12 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.797 1.639 . . . . 0.0 110.519 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.34 -35.83 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 126.097 1.759 . . . . 0.0 110.283 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.76 -50.52 66.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 119.633 1.106 . . . . 0.0 110.301 173.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.31 -29.22 69.74 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 122.179 -0.326 . . . . 0.0 111.771 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -75.97 -32.21 59.39 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 125.93 1.692 . . . . 0.0 112.457 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -42.03 87.21 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -60.64 -52.13 66.44 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.56 -41.26 60.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.126 0.97 . . . . 0.0 112.122 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -50.74 69.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.562 1.145 . . . . 0.0 110.645 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.16 87.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.706 0.802 . . . . 0.0 111.467 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -61.84 -41.23 97.55 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 126.026 1.73 . . . . 0.0 110.148 175.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.64 -41.97 92.0 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 121.238 -0.914 . . . . 0.0 110.067 177.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.45 -59.52 3.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.945 0.898 . . . . 0.0 109.586 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.48 -36.08 63.28 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -173.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -134.21 -5.69 2.67 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.516 1.126 . . . . 0.0 113.478 -173.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 120.056 1.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.208 -1.123 0 CA-C-O 116.66 -1.638 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.36 -26.45 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-N 121.7 2.045 . . . . 0.0 113.27 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -59.35 3.38 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.851 1.205 . . . . 0.0 109.924 173.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 t -64.35 -53.57 46.57 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.397 1.079 . . . . 0.0 110.986 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.08 -34.64 57.47 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 127.029 2.132 . . . . 0.0 111.861 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.23 -42.87 79.11 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.257 0.935 . . . . 0.0 111.049 174.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -62.47 -50.36 71.74 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 123.129 0.572 . . . . 0.0 109.576 176.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.72 -39.49 68.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.878 1.271 . . . . 0.0 110.527 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.27 85.77 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.274 -0.891 . . . . 0.0 112.262 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.92 82.47 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.459 -0.776 . . . . 0.0 110.329 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.21 -43.3 96.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.204 1.802 . . . . 0.0 110.006 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.84 -50.5 72.03 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 124.144 0.978 . . . . 0.0 109.143 174.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.8 t -57.72 -33.41 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 O-C-N 121.021 -1.049 . . . . 0.0 111.718 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.68 73.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.4 1.0 . . . . 0.0 110.731 173.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.25 96.09 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.512 -0.743 . . . . 0.0 109.035 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -63.68 -32.56 74.09 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 126.224 1.81 . . . . 0.0 110.5 174.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -49.24 72.63 Favored 'General case' 0 C--O 1.23 0.062 0 CA-C-N 120.125 1.33 . . . . 0.0 109.571 176.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -61.6 -52.56 63.87 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.65 -44.1 72.95 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.929 0.892 . . . . 0.0 111.657 -176.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.02 70.22 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 124.131 0.973 . . . . 0.0 109.463 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -41.63 89.37 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.843 0.747 . . . . 0.0 112.114 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -57.16 -50.9 71.4 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.956 2.102 . . . . 0.0 109.467 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.77 -40.59 97.06 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 125.193 1.397 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.9 -40.64 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 126.952 2.101 . . . . 0.0 110.501 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.45 82.02 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.089 0.859 . . . . 0.0 109.954 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.66 76.13 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.26 175.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -48.92 -42.47 37.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 126.417 1.887 . . . . 0.0 111.527 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.33 -52.95 57.53 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -75.95 -44.51 39.64 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.7 -40.31 72.23 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.229 1.411 . . . . 0.0 111.752 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.58 80.25 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.833 0.742 . . . . 0.0 109.89 174.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.04 73.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.878 0.871 . . . . 0.0 111.644 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -73.09 -40.46 64.97 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.73 2.412 . . . . 0.0 110.217 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.59 -30.84 67.52 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 120.163 1.347 . . . . 0.0 110.397 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.8 t -75.94 -64.93 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 124.307 1.043 . . . . 0.0 108.982 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.55 -57.68 11.3 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.833 1.653 . . . . 0.0 111.48 -173.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -90.01 47.27 1.43 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.994 2.117 . . . . 0.0 106.534 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 O-C-N 120.711 -1.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 C--O 1.206 -1.185 0 CA-C-O 115.736 -2.078 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.98 -28.43 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 123.05 2.659 . . . . 0.0 112.47 -170.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.58 -65.67 0.64 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.087 0.858 . . . . 0.0 110.203 173.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.1 m -68.72 -35.6 77.35 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.83 -39.74 92.85 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.81 1.644 . . . . 0.0 111.767 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.77 -42.65 85.76 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.859 0.754 . . . . 0.0 109.928 174.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -56.0 -59.23 5.2 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.36 -37.99 73.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.181 0.992 . . . . 0.0 111.615 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.86 94.18 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 118.769 0.713 . . . . 0.0 111.508 174.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.79 -35.97 64.99 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.538 -0.726 . . . . 0.0 111.124 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -62.39 -39.07 92.03 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.671 1.589 . . . . 0.0 109.962 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.46 -56.71 15.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.414 1.485 . . . . 0.0 110.187 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.15 -37.83 57.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.59 0.756 . . . . 0.0 111.005 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.97 -49.0 74.25 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.091 0.956 . . . . 0.0 111.06 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.29 98.87 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 119.064 0.847 . . . . 0.0 110.061 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -65.5 -17.5 64.6 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.243 1.017 . . . . 0.0 112.411 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.5 -50.05 68.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 119.93 1.241 . . . . 0.0 108.213 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -59.84 -59.97 4.59 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 124.936 1.294 . . . . 0.0 108.641 175.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.47 -37.11 64.85 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.51 -51.16 54.27 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.752 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.29 -37.1 74.35 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.96 1.254 . . . . 0.0 111.675 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -60.3 -45.18 94.27 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.48 1.512 . . . . 0.0 110.713 173.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -69.98 -40.93 75.06 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.825 1.25 . . . . 0.0 110.81 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.29 -37.1 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 109.495 174.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.42 81.42 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.514 1.052 . . . . 0.0 109.684 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.27 -25.35 68.02 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.375 -0.828 . . . . 0.0 112.805 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -75.34 -39.83 58.93 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 126.151 1.78 . . . . 0.0 109.2 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.4 98.92 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -56.34 -54.76 41.7 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 124.484 1.114 . . . . 0.0 108.881 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.12 -40.59 67.5 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.5 1.12 . . . . 0.0 112.406 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -51.26 65.08 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.21 73.88 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.594 1.158 . . . . 0.0 112.31 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.02 -42.89 79.97 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.664 1.986 . . . . 0.0 109.602 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.91 92.8 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.693 0.679 . . . . 0.0 110.664 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.67 -56.57 14.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.96 -52.97 58.99 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.038 1.335 . . . . 0.0 110.748 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -72.24 2.28 6.26 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.328 -0.858 . . . . 0.0 112.815 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 120.368 1.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 CA--C 1.492 -1.278 0 CA-C-O 116.55 -1.69 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.8 t -53.26 -31.54 18.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 120.721 1.601 . . . . 0.0 112.31 -169.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.32 -58.33 6.81 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 119.532 1.06 . . . . 0.0 110.577 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -69.13 -45.09 70.99 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -52.16 -54.23 33.33 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.468 1.507 . . . . 0.0 109.934 173.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.86 -33.33 70.33 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.112 0.869 . . . . 0.0 112.114 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -60.84 -59.11 5.9 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.22 -37.34 74.66 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.386 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.81 96.71 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.394 1.078 . . . . 0.0 111.832 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.31 91.4 Favored 'General case' 0 C--N 1.337 0.039 0 O-C-N 121.189 -0.944 . . . . 0.0 110.056 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -65.99 -28.8 69.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.863 0.865 . . . . 0.0 111.138 174.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.12 -52.61 26.47 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.512 -1.367 . . . . 0.0 109.864 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.63 -32.96 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.492 1.117 . . . . 0.0 110.304 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -56.01 18.43 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.884 1.22 . . . . 0.0 110.625 174.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.0 73.66 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.859 0.864 . . . . 0.0 111.297 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -66.59 -39.29 88.36 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.362 1.465 . . . . 0.0 112.829 173.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.09 75.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 119.554 1.07 . . . . 0.0 110.957 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -62.07 -57.31 12.06 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 173.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.68 60.94 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.138 0.975 . . . . 0.0 112.289 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -46.94 74.89 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.905 1.282 . . . . 0.0 110.665 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.29 79.86 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 118.98 0.809 . . . . 0.0 111.141 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -66.22 -35.44 80.45 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 124.79 1.236 . . . . 0.0 111.533 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -66.71 -52.31 46.0 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.832 1.653 . . . . 0.0 109.542 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.0 -40.37 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 126.215 1.806 . . . . 0.0 110.351 173.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.16 83.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.419 1.009 . . . . 0.0 111.078 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.59 98.9 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.729 -0.607 . . . . 0.0 110.867 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -60.62 -27.36 67.71 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 125.157 1.383 . . . . 0.0 113.224 174.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.96 98.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.498 1.045 . . . . 0.0 109.273 174.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -64.08 -56.26 16.25 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.58 58.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.825 0.85 . . . . 0.0 112.59 -177.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.42 -47.25 64.71 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.304 0.642 . . . . 0.0 110.685 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.99 86.25 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.77 0.828 . . . . 0.0 111.124 177.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.54 -57.41 12.84 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.245 2.218 . . . . 0.0 108.235 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.66 -38.62 67.14 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.061 0.846 . . . . 0.0 111.826 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.6 t -61.61 -55.77 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 123.792 0.837 . . . . 0.0 109.67 174.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.58 -30.2 71.22 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.994 0.918 . . . . 0.0 112.686 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -76.46 -1.45 27.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.44 1.096 . . . . 0.0 111.362 173.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 O-C-N 120.505 -1.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 CA--C 1.497 -1.074 0 CA-C-O 116.27 -1.824 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.15 -42.25 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 121.149 1.795 . . . . 0.0 112.191 -168.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.8 -60.72 3.26 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 119.341 0.973 . . . . 0.0 112.234 173.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.1 t -62.12 -52.38 64.08 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.413 0.685 . . . . 0.0 110.598 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -51.62 -41.61 61.39 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 126.812 2.045 . . . . 0.0 111.529 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.15 -41.86 80.97 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.897 0.879 . . . . 0.0 109.728 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -60.96 -55.98 26.49 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.34 -43.64 67.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.749 1.22 . . . . 0.0 109.976 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.46 -36.17 75.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.32 -42.29 54.9 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.284 0.634 . . . . 0.0 110.748 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -60.82 -38.93 87.14 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.336 1.854 . . . . 0.0 111.222 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.56 -54.52 45.6 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.326 1.851 . . . . 0.0 108.706 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.92 -34.35 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 124.1 0.96 . . . . 0.0 111.802 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.36 69.65 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.742 1.156 . . . . 0.0 110.698 176.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.88 88.96 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 122.076 0.941 . . . . 0.0 110.747 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -72.58 -19.7 61.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.435 1.094 . . . . 0.0 111.481 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -37.18 83.43 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 120.271 1.396 . . . . 0.0 108.83 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -52.1 64.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.88 -46.11 60.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.044 0.938 . . . . 0.0 111.313 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.89 71.65 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.024 1.33 . . . . 0.0 110.554 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.2 75.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.036 0.535 . . . . 0.0 112.079 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.08 -45.26 77.86 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.614 1.965 . . . . 0.0 110.924 173.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.03 -45.38 93.82 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.688 1.195 . . . . 0.0 109.591 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 t -60.98 -38.28 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 124.853 1.261 . . . . 0.0 110.779 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.47 77.53 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.371 1.442 . . . . 0.0 111.061 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.61 92.63 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 122.816 0.446 . . . . 0.0 110.264 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -57.63 -40.35 79.01 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 125.741 1.616 . . . . 0.0 110.667 175.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.32 93.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.414 0.686 . . . . 0.0 109.659 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -62.37 1.9 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.6 -42.73 64.82 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.014 1.725 . . . . 0.0 112.761 -174.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.11 -52.53 64.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.383 0.538 . . . . 0.0 110.429 174.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.72 90.27 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.548 0.739 . . . . 0.0 110.869 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -56.78 -51.2 69.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 127.356 2.262 . . . . 0.0 110.279 175.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.34 -30.89 71.94 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.622 0.769 . . . . 0.0 111.638 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.3 -48.86 40.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 119.404 1.002 . . . . 0.0 109.495 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.65 -63.22 1.34 Allowed 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.795 1.238 . . . . 0.0 110.412 -176.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -145.64 77.87 1.52 Allowed 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 122.047 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 115.756 -2.069 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.35 -28.33 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 122.287 2.312 . . . . 0.0 112.535 -172.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.17 -60.93 2.33 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.94 1.246 . . . . 0.0 110.541 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -60.78 -51.53 68.96 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.984 0.514 . . . . 0.0 110.28 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.13 -35.56 71.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.317 1.447 . . . . 0.0 112.863 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 -34.41 59.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 120.128 1.331 . . . . 0.0 111.49 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -59.82 -52.84 63.71 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.5 66.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.363 1.465 . . . . 0.0 110.884 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.76 95.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 119.81 1.187 . . . . 0.0 111.375 174.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.76 76.73 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.794 -1.192 . . . . 0.0 109.93 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.99 -31.58 72.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.905 0.882 . . . . 0.0 110.686 173.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.72 -48.09 70.3 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.178 0.991 . . . . 0.0 108.63 173.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.06 -32.26 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.308 1.443 . . . . 0.0 111.603 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -50.13 50.64 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.449 1.1 . . . . 0.0 110.296 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.9 71.11 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.513 0.725 . . . . 0.0 109.776 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.55 -37.81 80.26 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.952 1.701 . . . . 0.0 113.103 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.44 87.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 120.16 1.346 . . . . 0.0 109.624 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -65.29 -66.23 0.57 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.241 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.76 68.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.09 69.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.437 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.91 81.07 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.006 0.821 . . . . 0.0 110.446 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -60.64 -43.88 97.05 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.657 1.583 . . . . 0.0 110.006 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.47 -46.84 74.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.829 0.852 . . . . 0.0 110.243 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.11 -36.45 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.585 1.154 . . . . 0.0 110.899 174.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 -52.27 63.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.786 0.721 . . . . 0.0 110.441 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.87 83.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.99 0.916 . . . . 0.0 111.556 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.74 -33.4 68.41 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 125.075 1.35 . . . . 0.0 110.937 175.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.72 89.62 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.388 0.995 . . . . 0.0 109.849 174.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -59.46 -58.07 10.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.1 -38.05 64.93 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.983 0.913 . . . . 0.0 112.033 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.29 -49.26 70.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.327 0.651 . . . . 0.0 110.354 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.13 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.439 0.696 . . . . 0.0 110.3 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.45 -46.03 87.38 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.678 1.591 . . . . 0.0 110.661 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.94 70.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.93 0.786 . . . . 0.0 111.815 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.3 -53.47 32.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 119.946 1.248 . . . . 0.0 108.068 173.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.24 -29.98 70.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.434 1.094 . . . . 0.0 112.275 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -66.93 -12.14 58.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.165 0.986 . . . . 0.0 112.37 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 120.396 1.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 . . . . . 0 CA--C 1.494 -1.178 0 CA-C-O 116.137 -1.887 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.37 -31.11 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 121.459 1.936 . . . . 0.0 111.563 -172.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.67 -61.98 2.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.477 1.035 . . . . 0.0 110.661 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -70.76 -46.16 63.46 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 118.247 -0.883 . . . . 0.0 112.677 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.78 -34.0 62.08 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.5 1.5 . . . . 0.0 112.822 174.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.09 -38.0 61.35 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 120.425 1.466 . . . . 0.0 111.776 174.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -65.47 -47.61 75.49 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.75 -38.49 75.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.528 1.531 . . . . 0.0 110.623 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.63 77.5 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.443 1.02 . . . . 0.0 112.096 174.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.38 -41.76 72.62 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.136 -0.977 . . . . 0.0 110.121 174.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -62.07 -33.74 74.97 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.291 1.837 . . . . 0.0 111.329 176.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.39 -59.13 3.96 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.08 1.752 . . . . 0.0 108.87 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.35 -33.18 30.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.098 1.359 . . . . 0.0 111.72 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.17 -59.64 4.18 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.173 0.989 . . . . 0.0 109.65 173.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.4 -30.39 68.42 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.345 0.593 . . . . 0.0 112.21 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -75.77 -26.04 56.99 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.585 1.554 . . . . 0.0 111.007 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.18 84.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.922 1.237 . . . . 0.0 108.19 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -55.76 -59.61 4.62 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.78 -42.58 58.06 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.105 0.962 . . . . 0.0 112.397 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.97 76.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.998 0.919 . . . . 0.0 110.54 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.64 -36.73 84.77 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.277 0.944 . . . . 0.0 111.679 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.65 -45.29 93.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.54 1.936 . . . . 0.0 109.888 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.31 -43.82 85.15 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 125.183 1.393 . . . . 0.0 110.697 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -58.94 -36.88 64.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.321 1.449 . . . . 0.0 110.454 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.08 84.14 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.378 0.99 . . . . 0.0 111.334 174.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.7 88.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.484 0.714 . . . . 0.0 111.246 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -60.06 -44.89 94.4 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 127.603 2.361 . . . . 0.0 110.366 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.83 -46.28 78.16 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 122.729 0.412 . . . . 0.0 110.157 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -61.54 -54.78 38.68 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 123.642 0.777 . . . . 0.0 110.653 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.84 72.08 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 125.009 1.324 . . . . 0.0 111.358 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.79 83.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.052 0.941 . . . . 0.0 110.82 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.31 83.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.174 0.59 . . . . 0.0 109.875 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -70.3 -32.08 69.69 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.548 1.939 . . . . 0.0 112.596 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.12 -32.02 72.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.657 1.117 . . . . 0.0 109.778 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t -75.98 -66.13 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.63 -26.79 68.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.244 1.418 . . . . 0.0 114.768 -173.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 mtp-105 -133.93 29.38 3.78 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.9 1.28 . . . . 0.0 109.354 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 O-C-N 121.499 -0.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 116.46 -1.733 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 t -50.28 -29.2 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 121.803 2.092 . . . . 0.0 112.205 -173.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.15 -65.86 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.419 1.009 . . . . 0.0 110.769 173.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 m -67.86 -44.8 76.28 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.902 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -52.96 -39.17 62.74 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 126.0 1.72 . . . . 0.0 111.539 174.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.83 96.14 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 119.899 1.227 . . . . 0.0 111.146 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -65.77 -48.67 71.04 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 121.478 -0.764 . . . . 0.0 109.02 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.16 -34.18 63.59 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.1 1.36 . . . . 0.0 111.586 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.8 87.75 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.592 1.157 . . . . 0.0 111.127 174.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.61 90.8 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.427 -0.796 . . . . 0.0 109.379 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.87 -36.11 82.83 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.683 1.593 . . . . 0.0 111.642 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.9 -54.3 40.73 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 124.932 1.293 . . . . 0.0 109.147 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.46 -32.0 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 124.332 1.053 . . . . 0.0 110.658 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -51.56 62.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 119.503 1.047 . . . . 0.0 110.16 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.97 94.23 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.649 0.78 . . . . 0.0 110.306 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -62.15 -42.43 99.24 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.726 1.61 . . . . 0.0 113.176 173.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.15 95.01 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.494 1.043 . . . . 0.0 110.796 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -63.58 -59.6 4.41 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.21 -39.82 45.47 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.847 1.259 . . . . 0.0 112.221 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.17 79.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.769 1.228 . . . . 0.0 111.349 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.44 -36.61 81.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.699 0.761 . . . . 0.0 110.975 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.22 -43.17 99.3 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.885 1.274 . . . . 0.0 110.0 173.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tt -65.24 -46.59 79.98 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.274 1.43 . . . . 0.0 110.061 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -55.05 -44.03 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.764 1.226 . . . . 0.0 111.306 174.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.77 62.47 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.706 1.139 . . . . 0.0 110.717 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 -27.49 68.78 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.575 -0.703 . . . . 0.0 111.509 175.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -73.97 -24.71 59.65 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 124.669 1.188 . . . . 0.0 112.242 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.63 77.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 120.367 1.44 . . . . 0.0 108.712 173.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -60.75 -54.96 38.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.58 67.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.171 0.988 . . . . 0.0 112.143 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.33 -38.38 87.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 119.025 0.829 . . . . 0.0 110.791 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.94 85.92 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 121.418 -0.802 . . . . 0.0 110.406 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -59.51 -43.52 93.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.907 1.683 . . . . 0.0 110.653 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.02 93.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.642 1.177 . . . . 0.0 110.348 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.62 -39.49 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.33 74.66 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.546 0.612 . . . . 0.0 111.876 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -72.91 -20.49 61.06 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.985 173.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 119.417 1.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.205 -1.261 0 CA-C-O 116.06 -1.924 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.6 t -47.09 -34.12 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 121.755 2.07 . . . . 0.0 113.219 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -66.29 0.56 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.244 0.929 . . . . 0.0 110.524 173.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.7 m -67.34 -38.19 84.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.777 -0.577 . . . . 0.0 112.302 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.87 -37.67 77.07 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.958 1.703 . . . . 0.0 110.627 173.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 120.143 1.338 . . . . 0.0 110.211 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -62.34 -55.33 29.12 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.5 62.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.787 1.235 . . . . 0.0 111.553 -177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -50.69 64.59 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 124.818 1.247 . . . . 0.0 111.352 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.43 87.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.198 0.908 . . . . 0.0 111.224 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.5 -44.02 93.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.743 1.617 . . . . 0.0 109.907 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -44.54 76.79 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.753 0.821 . . . . 0.0 109.866 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.85 -34.94 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 120.949 -1.094 . . . . 0.0 110.679 174.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.14 82.16 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.905 1.229 . . . . 0.0 111.217 173.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.41 94.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.255 0.622 . . . . 0.0 110.619 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -65.51 -34.93 79.41 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 125.634 1.574 . . . . 0.0 111.285 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.87 97.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.34 0.973 . . . . 0.0 110.21 174.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -62.11 -54.37 42.18 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.45 70.34 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.623 0.769 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.74 91.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.943 0.897 . . . . 0.0 110.927 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.31 98.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.915 0.486 . . . . 0.0 110.641 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.39 -40.26 93.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.172 1.789 . . . . 0.0 111.392 173.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.26 -53.21 59.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.701 0.8 . . . . 0.0 109.104 175.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.56 -35.51 63.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.133 0.973 . . . . 0.0 110.552 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.22 58.14 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.573 1.079 . . . . 0.0 110.93 176.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.52 91.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.462 -0.774 . . . . 0.0 110.509 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.78 -22.31 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 113.204 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.15 66.91 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -54.49 46.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.52 1.128 . . . . 0.0 108.982 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.6 76.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.365 1.066 . . . . 0.0 112.227 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.61 77.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.057 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.07 -43.74 95.25 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.654 0.661 . . . . 0.0 110.273 174.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.11 -49.22 78.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.846 1.659 . . . . 0.0 109.553 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.485 1.114 . . . . 0.0 111.302 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.3 -44.83 90.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.496 0.718 . . . . 0.0 109.478 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.75 -28.87 70.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.782 0.719 . . . . 0.0 112.005 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -81.53 -3.12 52.27 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.402 1.081 . . . . 0.0 111.546 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 120.703 1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 117.409 -1.281 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -52.78 -27.18 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 121.303 1.865 . . . . 0.0 113.36 -172.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.13 -58.83 4.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.404 1.002 . . . . 0.0 110.236 173.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 p -70.58 -43.25 69.81 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.299 0.64 . . . . 0.0 112.214 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.67 -45.59 73.9 Favored 'General case' 0 N--CA 1.46 0.029 0 CA-C-N 120.163 1.347 . . . . 0.0 110.937 173.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.52 95.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.156 0.889 . . . . 0.0 110.981 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -57.44 -57.94 10.48 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 123.447 0.699 . . . . 0.0 109.39 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.31 -39.12 66.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.533 1.533 . . . . 0.0 110.87 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.44 93.36 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 119.502 1.047 . . . . 0.0 111.479 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.51 90.06 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.555 -0.715 . . . . 0.0 110.938 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -60.45 -45.68 92.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.559 1.543 . . . . 0.0 111.594 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.53 -50.17 74.75 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.541 1.136 . . . . 0.0 108.705 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.95 -35.79 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 118.314 -0.85 . . . . 0.0 111.449 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.86 90.79 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 120.677 1.581 . . . . 0.0 111.328 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.21 97.17 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.706 0.802 . . . . 0.0 110.645 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -60.22 -45.99 91.31 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 124.886 1.274 . . . . 0.0 110.329 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.7 71.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.846 0.858 . . . . 0.0 110.231 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -65.95 -62.7 1.35 Allowed 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.46 -35.54 52.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.277 1.031 . . . . 0.0 112.221 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.1 -53.59 29.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.819 2.047 . . . . 0.0 109.688 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.26 73.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.689 1.131 . . . . 0.0 111.914 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -68.82 -39.06 80.22 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.61 1.964 . . . . 0.0 109.874 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 tt -69.3 -38.06 78.09 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 120.911 -1.118 . . . . 0.0 110.644 173.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.18 -37.37 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 126.546 1.938 . . . . 0.0 109.103 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.6 76.89 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.621 1.1 . . . . 0.0 110.158 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.63 92.05 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 121.826 -0.546 . . . . 0.0 111.44 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -61.72 -38.04 86.42 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.34 1.856 . . . . 0.0 111.448 174.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.45 -48.53 74.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -55.76 -63.74 1.08 Allowed 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.49 -32.99 63.3 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.515 1.526 . . . . 0.0 113.03 -174.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.52 -49.33 33.62 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 119.069 0.85 . . . . 0.0 110.534 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.89 81.47 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.792 0.837 . . . . 0.0 110.833 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.18 -53.98 47.5 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.701 2.0 . . . . 0.0 107.473 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.21 -32.38 66.44 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.068 0.849 . . . . 0.0 112.686 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t . . . . . 0 CA--C 1.531 0.237 0 C-N-CA 124.432 1.093 . . . . 0.0 108.943 174.068 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 C--O 1.209 -1.042 0 CA-C-O 116.824 -1.56 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.33 -23.02 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 121.603 2.002 . . . . 0.0 112.124 -170.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.04 -59.95 2.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.524 -1.36 . . . . 0.0 109.142 173.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -61.23 -55.43 32.08 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.605 1.162 . . . . 0.0 111.034 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.32 -34.01 66.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.269 1.828 . . . . 0.0 112.429 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.28 65.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 120.685 1.584 . . . . 0.0 111.122 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -60.62 -50.06 75.04 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.28 -42.54 70.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.694 1.597 . . . . 0.0 110.234 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -36.3 83.71 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.048 0.84 . . . . 0.0 112.349 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.21 74.64 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 119.232 0.924 . . . . 0.0 109.329 174.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -58.29 -38.18 76.5 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.608 1.563 . . . . 0.0 111.174 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.24 -57.46 10.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.149 1.379 . . . . 0.0 109.295 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.3 t -58.9 -30.47 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.174 1.389 . . . . 0.0 111.445 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.59 -55.58 11.1 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.88 1.272 . . . . 0.0 110.671 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.13 73.57 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.415 0.626 . . . . 0.0 110.36 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -73.2 -30.78 63.76 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.514 1.526 . . . . 0.0 112.576 175.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.75 90.57 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 120.55 1.523 . . . . 0.0 109.45 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -67.4 -58.51 4.65 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.3 -38.21 57.83 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.757 1.223 . . . . 0.0 113.06 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.04 -53.37 39.33 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.696 1.198 . . . . 0.0 109.342 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.44 -32.85 74.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.798 0.726 . . . . 0.0 111.946 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.05 -43.92 94.05 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.28 1.432 . . . . 0.0 109.842 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.12 -45.56 88.06 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.676 1.191 . . . . 0.0 110.603 174.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.63 -36.26 64.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 125.526 1.53 . . . . 0.0 110.215 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.15 83.02 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.311 1.414 . . . . 0.0 110.456 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.87 88.91 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.279 -0.888 . . . . 0.0 110.619 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -66.37 -30.96 71.46 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 125.759 1.624 . . . . 0.0 110.403 174.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.32 -53.81 42.95 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 174.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -53.66 -62.39 1.68 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 126.122 1.769 . . . . 0.0 110.027 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.5 82.27 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.224 2.209 . . . . 0.0 112.734 -174.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.75 -45.16 75.73 Favored 'General case' 0 CA--C 1.526 0.053 0 CA-C-N 119.133 0.879 . . . . 0.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.18 -40.14 84.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.933 0.493 . . . . 0.0 110.149 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -61.44 -44.65 96.75 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.762 0.825 . . . . 0.0 111.002 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.69 84.55 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.721 1.146 . . . . 0.0 111.32 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.73 174.511 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.209 -1.075 0 CA-C-O 116.332 -1.794 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 t -48.42 -34.48 5.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.491 0 CA-C-N 121.435 1.925 . . . . 0.0 112.261 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.21 -62.83 1.5 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.926 0.784 . . . . 0.0 111.865 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -66.07 -42.25 89.69 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.462 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.58 -39.18 92.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 126.562 1.945 . . . . 0.0 113.442 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.97 70.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.79 1.177 . . . . 0.0 110.062 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -56.2 -55.32 34.6 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.21 -33.76 67.85 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.592 1.157 . . . . 0.0 111.347 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.37 94.11 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 120.058 1.299 . . . . 0.0 112.136 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.87 83.84 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.308 -0.87 . . . . 0.0 110.189 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.07 -43.67 91.46 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.151 1.381 . . . . 0.0 111.303 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.14 -51.3 69.87 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.849 1.26 . . . . 0.0 109.614 174.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.06 -39.74 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 117.063 -1.446 . . . . 0.0 111.39 173.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.94 -54.35 43.03 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 120.245 1.384 . . . . 0.0 110.341 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.01 -45.25 79.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.303 0.641 . . . . 0.0 110.275 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -61.16 -40.19 92.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 125.357 1.463 . . . . 0.0 113.816 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.01 -33.07 71.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 119.223 0.919 . . . . 0.0 110.698 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -65.23 -53.68 40.82 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.75 62.11 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.976 1.31 . . . . 0.0 111.62 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.42 -48.6 72.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.371 1.068 . . . . 0.0 110.893 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.98 86.99 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.975 0.807 . . . . 0.0 111.341 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -61.42 -43.82 98.21 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.281 1.432 . . . . 0.0 110.108 174.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.58 -47.35 76.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.267 1.427 . . . . 0.0 110.49 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.0 -35.99 54.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 124.574 1.15 . . . . 0.0 110.054 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.51 85.73 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 120.441 1.473 . . . . 0.0 111.77 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.95 93.2 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.183 -0.948 . . . . 0.0 110.343 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -65.64 -27.26 68.25 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.758 1.223 . . . . 0.0 112.948 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.0 95.59 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.327 0.967 . . . . 0.0 109.004 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -64.14 -53.12 54.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.132 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.66 -47.97 49.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.687 1.595 . . . . 0.0 112.123 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.84 77.38 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.477 0.711 . . . . 0.0 110.609 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.7 84.29 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.408 0.683 . . . . 0.0 110.762 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -53.68 -54.68 34.44 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.673 1.989 . . . . 0.0 110.031 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.82 78.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.54 0.736 . . . . 0.0 112.22 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.8 t . . . . . 0 C--O 1.233 0.231 0 CA-C-N 119.044 0.838 . . . . 0.0 108.927 176.02 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 . . . . . 0 C--O 1.206 -1.189 0 CA-C-O 116.747 -1.597 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t -51.96 -31.22 13.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 121.074 1.761 . . . . 0.0 112.026 -169.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.34 -59.49 4.31 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.593 1.088 . . . . 0.0 111.624 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.3 t -59.68 -51.98 67.49 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.626 1.57 . . . . 0.0 110.325 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.01 -44.86 96.79 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 126.678 1.991 . . . . 0.0 111.499 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.8 -33.84 76.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 119.859 1.209 . . . . 0.0 111.161 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -53.99 51.16 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 121.383 -0.823 . . . . 0.0 108.813 174.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.21 -37.52 69.77 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 124.051 0.94 . . . . 0.0 111.235 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.12 88.85 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 124.289 1.036 . . . . 0.0 111.779 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.77 -47.1 55.87 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 123.418 0.687 . . . . 0.0 110.096 174.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.72 -38.4 81.57 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.437 1.495 . . . . 0.0 111.352 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.97 -54.78 42.78 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.601 1.161 . . . . 0.0 109.673 173.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.89 -35.62 57.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 124.45 1.1 . . . . 0.0 110.876 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.68 70.6 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 119.313 0.96 . . . . 0.0 110.209 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.41 89.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.433 0.635 . . . . 0.0 109.698 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.511 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 68.5 m-20 -63.96 -24.96 67.93 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.026 1.33 . . . . 0.0 112.311 -176.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.64 97.31 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.726 1.148 . . . . 0.0 109.636 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -72.44 -46.88 52.96 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' ' 16' ' ' ASN . . . -55.27 -33.08 62.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.217 0.607 . . . . 0.0 112.206 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.68 70.96 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.289 1.436 . . . . 0.0 109.834 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.1 94.54 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.67 0.388 . . . . 0.0 111.474 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.35 -44.15 92.72 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.198 1.799 . . . . 0.0 110.015 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.1 -47.89 78.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.107 0.963 . . . . 0.0 110.151 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.15 -38.42 74.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.015 1.326 . . . . 0.0 110.748 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.24 90.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.251 0.932 . . . . 0.0 110.891 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.37 92.73 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.627 -0.67 . . . . 0.0 110.628 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -58.78 -30.14 67.35 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.721 1.208 . . . . 0.0 111.752 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.64 97.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.389 0.995 . . . . 0.0 110.408 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -51.28 61.87 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.73 63.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.816 1.246 . . . . 0.0 112.496 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.12 -52.09 31.77 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.937 0.895 . . . . 0.0 109.66 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.75 -34.54 71.5 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.597 0.635 . . . . 0.0 112.302 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -65.94 -52.93 45.46 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.695 1.598 . . . . 0.0 108.797 174.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.03 77.68 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 118.673 0.67 . . . . 0.0 112.303 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 t . . . . . 0 C--O 1.233 0.194 0 C-N-CA 125.855 1.662 . . . . 0.0 108.633 173.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 116.783 -1.579 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t -50.37 -31.07 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 120.735 1.607 . . . . 0.0 113.16 -173.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.33 -65.21 0.71 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 119.694 1.134 . . . . 0.0 110.246 173.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.3 t -57.43 -50.21 73.74 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.776 0.83 . . . . 0.0 110.111 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -33.4 71.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.213 1.805 . . . . 0.0 112.465 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.41 71.46 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 120.387 1.449 . . . . 0.0 108.765 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -57.12 -57.8 10.98 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.33 1.052 . . . . 0.0 109.027 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.23 72.74 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.322 1.449 . . . . 0.0 110.935 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.07 93.47 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 120.252 1.387 . . . . 0.0 112.087 176.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.07 -42.59 84.43 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.375 -0.828 . . . . 0.0 109.966 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.55 -30.66 71.69 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.808 1.243 . . . . 0.0 111.532 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -67.64 -46.66 71.81 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.312 1.445 . . . . 0.0 109.287 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.36 -34.55 64.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 125.713 1.605 . . . . 0.0 111.54 174.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -52.04 55.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.122 0.874 . . . . 0.0 109.583 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.33 -37.26 69.72 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.088 0.555 . . . . 0.0 111.113 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -64.51 -44.11 91.95 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.2 1.4 . . . . 0.0 111.416 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.33 -44.1 83.94 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.448 0.699 . . . . 0.0 110.021 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -63.88 -57.89 8.46 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.99 -40.17 60.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.971 1.308 . . . . 0.0 112.838 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.63 -54.95 23.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.953 1.301 . . . . 0.0 109.476 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -33.77 73.71 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.414 0.552 . . . . 0.0 111.927 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.11 -46.17 82.14 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.32 1.848 . . . . 0.0 110.829 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.53 -46.46 88.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.222 1.009 . . . . 0.0 110.348 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.14 -32.6 56.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.423 1.089 . . . . 0.0 110.071 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.48 -38.28 80.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 119.437 1.017 . . . . 0.0 111.799 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.95 -48.25 71.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 119.028 0.831 . . . . 0.0 109.299 173.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -52.07 -39.19 59.3 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.723 1.209 . . . . 0.0 110.651 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.02 -50.66 72.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.866 0.757 . . . . 0.0 110.478 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.62 -56.43 15.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.25 -39.51 72.68 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 124.257 1.023 . . . . 0.0 112.251 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.83 76.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.388 1.075 . . . . 0.0 111.05 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.79 98.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.782 0.833 . . . . 0.0 110.443 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -60.15 -43.67 95.57 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.047 1.739 . . . . 0.0 110.804 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.24 98.15 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.109 0.564 . . . . 0.0 110.847 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.333 177.536 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.205 -1.261 0 CA-C-O 116.06 -1.924 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.6 t -47.09 -34.12 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 121.755 2.07 . . . . 0.0 113.219 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -66.29 0.56 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.244 0.929 . . . . 0.0 110.524 173.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.7 m -67.34 -38.19 84.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.777 -0.577 . . . . 0.0 112.302 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.87 -37.67 77.07 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.958 1.703 . . . . 0.0 110.627 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 120.143 1.338 . . . . 0.0 110.211 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -62.34 -55.33 29.12 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.5 62.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.787 1.235 . . . . 0.0 111.553 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -50.69 64.59 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 124.818 1.247 . . . . 0.0 111.352 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.43 87.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.198 0.908 . . . . 0.0 111.224 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.5 -44.02 93.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.743 1.617 . . . . 0.0 109.907 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -44.54 76.79 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.753 0.821 . . . . 0.0 109.866 178.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.85 -34.94 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 120.949 -1.094 . . . . 0.0 110.679 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.14 82.16 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.905 1.229 . . . . 0.0 111.217 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.41 94.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.255 0.622 . . . . 0.0 110.619 174.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -65.51 -34.93 79.41 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 125.634 1.574 . . . . 0.0 111.285 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.87 97.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.34 0.973 . . . . 0.0 110.21 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -62.11 -54.37 42.18 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.45 70.34 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.623 0.769 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.74 91.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.943 0.897 . . . . 0.0 110.927 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.31 98.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.915 0.486 . . . . 0.0 110.641 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.39 -40.26 93.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.172 1.789 . . . . 0.0 111.392 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.26 -53.21 59.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.701 0.8 . . . . 0.0 109.104 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.56 -35.51 63.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.133 0.973 . . . . 0.0 110.552 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.22 58.14 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.573 1.079 . . . . 0.0 110.93 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.52 91.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.462 -0.774 . . . . 0.0 110.509 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.78 -22.31 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 113.204 173.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.15 66.91 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -54.49 46.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.52 1.128 . . . . 0.0 108.982 175.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.6 76.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.365 1.066 . . . . 0.0 112.227 -175.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.61 77.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.057 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.07 -43.74 95.25 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.654 0.661 . . . . 0.0 110.273 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.11 -49.22 78.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.846 1.659 . . . . 0.0 109.553 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.485 1.114 . . . . 0.0 111.302 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 CA--C 1.532 0.28 0 C-N-CA 123.496 0.718 . . . . 0.0 109.478 174.019 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 115.756 -2.069 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.35 -28.33 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 122.287 2.312 . . . . 0.0 112.535 -172.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.17 -60.93 2.33 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.94 1.246 . . . . 0.0 110.541 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -60.78 -51.53 68.96 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.984 0.514 . . . . 0.0 110.28 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.13 -35.56 71.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.317 1.447 . . . . 0.0 112.863 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 -34.41 59.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 120.128 1.331 . . . . 0.0 111.49 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -59.82 -52.84 63.71 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.5 66.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.363 1.465 . . . . 0.0 110.884 174.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.76 95.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 119.81 1.187 . . . . 0.0 111.375 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.76 76.73 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.794 -1.192 . . . . 0.0 109.93 174.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.99 -31.58 72.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.905 0.882 . . . . 0.0 110.686 173.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.72 -48.09 70.3 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.178 0.991 . . . . 0.0 108.63 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.06 -32.26 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.308 1.443 . . . . 0.0 111.603 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -50.13 50.64 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.449 1.1 . . . . 0.0 110.296 174.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.9 71.11 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.513 0.725 . . . . 0.0 109.776 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.55 -37.81 80.26 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.952 1.701 . . . . 0.0 113.103 173.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.44 87.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 120.16 1.346 . . . . 0.0 109.624 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -65.29 -66.23 0.57 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.241 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.76 68.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.09 69.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.437 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.91 81.07 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.006 0.821 . . . . 0.0 110.446 176.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -60.64 -43.88 97.05 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.657 1.583 . . . . 0.0 110.006 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.47 -46.84 74.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.829 0.852 . . . . 0.0 110.243 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.11 -36.45 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.585 1.154 . . . . 0.0 110.899 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 -52.27 63.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.786 0.721 . . . . 0.0 110.441 176.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.87 83.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.99 0.916 . . . . 0.0 111.556 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.74 -33.4 68.41 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 125.075 1.35 . . . . 0.0 110.937 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.72 89.62 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.388 0.995 . . . . 0.0 109.849 174.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -59.46 -58.07 10.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.1 -38.05 64.93 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.983 0.913 . . . . 0.0 112.033 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.29 -49.26 70.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.327 0.651 . . . . 0.0 110.354 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.13 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.439 0.696 . . . . 0.0 110.3 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.45 -46.03 87.38 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.678 1.591 . . . . 0.0 110.661 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.94 70.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.93 0.786 . . . . 0.0 111.815 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.234 0.268 0 CA-C-N 119.946 1.248 . . . . 0.0 108.068 173.77 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--O 1.209 -1.039 0 CA-C-O 116.322 -1.799 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.28 -33.8 21.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 121.32 1.873 . . . . 0.0 112.279 -169.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.26 -57.92 6.5 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 119.568 1.077 . . . . 0.0 111.129 173.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -52.26 65.98 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.417 0.287 . . . . 0.0 110.694 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.6 -38.95 67.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.621 1.968 . . . . 0.0 111.558 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.59 -49.59 65.86 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -57.27 -57.03 14.4 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 123.366 0.666 . . . . 0.0 109.286 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.9 80.01 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.155 1.382 . . . . 0.0 111.03 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.3 99.17 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.092 0.557 . . . . 0.0 111.599 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.61 -41.64 83.68 Favored 'General case' 0 C--O 1.225 -0.19 0 O-C-N 121.481 -0.762 . . . . 0.0 110.528 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.0 -44.52 94.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.013 2.125 . . . . 0.0 110.777 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.87 -50.21 71.25 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.506 0.723 . . . . 0.0 109.858 174.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.21 -29.83 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.073 0.949 . . . . 0.0 111.688 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.24 80.13 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.308 1.043 . . . . 0.0 109.6 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.97 95.87 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 123.791 0.836 . . . . 0.0 109.841 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -53.64 -39.18 64.79 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 125.18 1.392 . . . . 0.0 111.214 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.62 71.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.051 0.841 . . . . 0.0 110.437 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -75.7 -52.05 11.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.416 0.686 . . . . 0.0 109.328 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -44.23 81.08 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.556 1.542 . . . . 0.0 112.371 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.05 -41.76 90.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.08 82.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.913 0.778 . . . . 0.0 111.876 175.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -63.87 -39.95 95.4 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.676 1.99 . . . . 0.0 109.947 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.2 -46.44 80.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.66 1.184 . . . . 0.0 110.046 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.07 -34.65 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 126.153 1.781 . . . . 0.0 110.983 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.5 82.9 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.529 1.059 . . . . 0.0 110.95 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.3 96.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.797 0.439 . . . . 0.0 111.057 174.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -57.19 -42.13 80.63 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 124.773 1.229 . . . . 0.0 109.938 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.14 90.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 118.466 0.575 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -63.53 -61.71 2.15 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 174.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.7 -35.16 60.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.548 1.139 . . . . 0.0 112.52 -175.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.34 -53.48 29.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.043 0.937 . . . . 0.0 110.369 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.37 -43.12 78.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.422 0.689 . . . . 0.0 110.461 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.94 -41.21 97.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.961 2.105 . . . . 0.0 110.972 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.93 -28.95 66.0 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 121.52 -0.738 . . . . 0.0 111.377 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 C--O 1.232 0.183 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 173.7 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 C--O 1.203 -1.345 0 CA-C-O 116.534 -1.698 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.78 -28.07 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 121.615 2.007 . . . . 0.0 112.153 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.13 -59.36 4.19 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.197 -0.939 . . . . 0.0 110.321 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.3 p -62.56 -51.06 68.87 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -56.97 -33.75 67.37 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 126.827 2.051 . . . . 0.0 111.94 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -39.93 68.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 119.953 1.252 . . . . 0.0 111.096 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HE3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.32 -49.96 69.68 Favored 'General case' 0 C--O 1.226 -0.177 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 176.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.37 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 126.145 1.778 . . . . 0.0 110.112 174.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.98 90.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.579 1.081 . . . . 0.0 111.851 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.84 72.66 Favored 'General case' 0 C--O 1.227 -0.113 0 O-C-N 121.32 -0.862 . . . . 0.0 109.664 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.94 -33.3 70.43 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.537 1.535 . . . . 0.0 111.175 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tt -64.84 -58.19 6.86 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.388 1.875 . . . . 0.0 108.867 173.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.36 -30.87 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.406 1.082 . . . . 0.0 111.854 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.83 -48.74 35.29 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.736 1.615 . . . . 0.0 111.208 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.1 80.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.195 0.521 . . . . 0.0 109.819 174.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -67.94 -35.94 79.26 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 125.26 1.424 . . . . 0.0 110.756 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.76 91.69 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 120.117 1.326 . . . . 0.0 110.656 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -65.67 -57.8 7.22 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.88 -35.09 61.2 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.776 1.23 . . . . 0.0 112.418 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.21 -52.6 64.1 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.016 1.326 . . . . 0.0 110.316 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.24 85.15 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.619 0.768 . . . . 0.0 111.56 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.21 -44.75 96.78 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.93 1.292 . . . . 0.0 109.77 174.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.76 -43.4 84.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.533 1.133 . . . . 0.0 110.823 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.72 -40.74 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.589 1.155 . . . . 0.0 110.319 174.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.71 93.38 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.065 1.302 . . . . 0.0 110.818 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.63 79.23 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.981 -1.074 . . . . 0.0 111.756 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -68.04 -23.56 64.99 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.466 1.507 . . . . 0.0 111.836 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.88 83.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -63.68 -51.98 62.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.95 -41.97 62.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.637 1.175 . . . . 0.0 112.165 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.6 78.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.341 0.519 . . . . 0.0 111.419 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.17 93.45 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 118.648 0.658 . . . . 0.0 111.437 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.3 -46.01 91.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.521 1.928 . . . . 0.0 109.872 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.14 -48.04 77.6 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.195 -0.941 . . . . 0.0 110.783 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.4 t . . . . . 0 CA--C 1.53 0.194 0 C-N-CA 123.886 0.875 . . . . 0.0 109.185 178.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 . . . . . 0 CA--C 1.497 -1.075 0 CA-C-O 116.693 -1.623 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.16 -31.86 22.44 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-N 121.474 1.943 . . . . 0.0 111.972 -170.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.16 -48.72 78.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 119.205 0.912 . . . . 0.0 112.627 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -73.91 -48.6 29.66 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.787 0.721 . . . . 0.0 111.55 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.67 -35.18 78.84 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.634 1.574 . . . . 0.0 111.803 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.03 89.08 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 119.947 1.249 . . . . 0.0 110.7 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -61.22 -56.44 20.62 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 123.949 0.899 . . . . 0.0 108.853 175.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.54 -34.79 73.09 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.833 1.253 . . . . 0.0 111.377 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.24 -49.6 71.29 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.299 1.04 . . . . 0.0 109.94 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.42 98.61 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 122.765 0.426 . . . . 0.0 111.001 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.55 -40.31 92.73 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 125.11 1.364 . . . . 0.0 110.888 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.58 -44.83 92.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.815 -0.553 . . . . 0.0 110.159 173.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.32 -42.19 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.344 1.058 . . . . 0.0 110.419 175.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.92 -49.91 75.84 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.302 0.955 . . . . 0.0 109.727 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.57 -44.63 89.8 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.285 0.493 . . . . 0.0 111.141 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.73 -30.05 71.05 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 127.101 2.161 . . . . 0.0 111.665 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.74 -33.05 72.33 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.825 1.193 . . . . 0.0 110.691 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -68.69 -54.03 18.64 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.342 1.057 . . . . 0.0 108.824 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.25 62.63 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.322 1.049 . . . . 0.0 112.119 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.87 81.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.099 1.36 . . . . 0.0 110.357 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.18 86.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.165 0.507 . . . . 0.0 111.5 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.09 -43.84 98.28 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.049 1.339 . . . . 0.0 108.868 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.09 -39.54 95.01 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.773 174.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.7 t -59.64 -37.45 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.648 1.567 . . . . 0.0 110.476 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.42 70.85 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 119.218 0.917 . . . . 0.0 110.758 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.68 80.25 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.94 -0.475 . . . . 0.0 110.944 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -62.13 -36.08 80.69 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.162 2.185 . . . . 0.0 111.497 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.56 -44.6 77.84 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.595 1.089 . . . . 0.0 110.339 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -57.93 -55.89 29.09 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.713 0.768 . . . . 0.0 109.088 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.65 -28.87 64.11 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.619 1.168 . . . . 0.0 112.756 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.8 -41.58 62.15 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 119.618 1.099 . . . . 0.0 110.465 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.43 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.653 0.661 . . . . 0.0 109.293 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.75 -41.44 95.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.974 1.31 . . . . 0.0 110.067 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.89 85.28 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.937 0.895 . . . . 0.0 111.853 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 t . . . . . 0 C--O 1.232 0.166 0 C-N-CA 124.977 1.311 . . . . 0.0 109.539 175.754 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 CA--C 1.501 -0.913 0 CA-C-O 116.716 -1.611 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.4 t -49.38 -37.62 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 121.352 1.887 . . . . 0.0 112.177 -169.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.62 -60.04 4.28 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.745 0.702 . . . . 0.0 111.752 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.6 m -65.03 -44.03 90.48 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.271 -0.893 . . . . 0.0 112.317 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.81 -34.29 69.49 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.879 2.071 . . . . 0.0 111.002 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.63 -43.5 84.55 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -63.12 -50.7 69.42 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.54 -42.65 71.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.563 0.745 . . . . 0.0 110.916 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.54 82.6 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 118.654 0.661 . . . . 0.0 111.81 174.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.82 -36.64 64.96 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.208 -0.933 . . . . 0.0 111.677 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -63.42 -37.8 88.69 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.916 2.086 . . . . 0.0 110.157 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.18 -55.36 29.44 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.025 1.33 . . . . 0.0 109.186 173.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.8 t -61.34 -32.73 53.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.695 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.08 69.97 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.613 1.097 . . . . 0.0 110.934 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.66 -45.1 93.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.453 0.644 . . . . 0.0 109.794 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -66.2 -32.48 73.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.025 1.33 . . . . 0.0 111.488 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.38 98.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -61.55 -56.47 19.65 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 118.117 -0.944 . . . . 0.0 109.022 174.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.0 -46.51 68.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.984 1.713 . . . . 0.0 112.642 -174.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.87 -48.63 80.91 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.715 0.806 . . . . 0.0 109.528 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.38 -25.72 66.1 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.09 -40.73 74.78 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.185 1.794 . . . . 0.0 109.814 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.2 -53.98 40.72 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.943 1.697 . . . . 0.0 109.114 174.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.34 -33.77 48.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 125.191 1.397 . . . . 0.0 111.374 175.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.89 74.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.768 1.167 . . . . 0.0 111.725 176.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.41 87.55 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.285 -0.885 . . . . 0.0 109.742 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.58 -25.85 68.42 Favored 'General case' 0 C--O 1.225 -0.202 0 O-C-N 121.671 -0.643 . . . . 0.0 111.036 173.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.27 95.3 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.618 1.099 . . . . 0.0 109.299 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -60.1 -54.73 42.47 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.34 -45.51 55.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.493 1.117 . . . . 0.0 111.761 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.42 78.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.127 0.971 . . . . 0.0 112.338 -177.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.97 -49.71 27.53 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 119.445 1.02 . . . . 0.0 109.611 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -56.07 -39.84 72.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.862 1.665 . . . . 0.0 111.674 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.03 99.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.825 1.25 . . . . 0.0 110.543 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.242 178.515 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 CA--C 1.498 -1.056 0 CA-C-O 116.405 -1.759 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.9 t -46.9 -38.33 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 121.425 1.92 . . . . 0.0 112.8 -170.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.7 -60.08 3.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.051 0.94 . . . . 0.0 113.039 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.6 t -58.73 -50.98 71.91 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.595 0.758 . . . . 0.0 109.631 177.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -51.06 -45.58 61.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.043 1.337 . . . . 0.0 110.857 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.01 82.95 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.117 0.871 . . . . 0.0 110.822 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -60.26 3.7 Favored 'General case' 0 C--N 1.339 0.112 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 174.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.74 -36.76 67.63 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.947 0.899 . . . . 0.0 111.734 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.65 93.87 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.998 1.719 . . . . 0.0 111.689 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.45 -40.3 77.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.991 0.517 . . . . 0.0 110.03 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.02 -40.54 93.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.456 1.503 . . . . 0.0 111.152 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.76 -47.09 87.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.253 1.021 . . . . 0.0 109.133 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.0 -36.28 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.065 1.346 . . . . 0.0 111.188 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.75 69.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.15 0.98 . . . . 0.0 109.8 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.55 84.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 119.02 0.827 . . . . 0.0 110.135 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 73.0 m-20 -63.38 -19.25 64.51 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-O 117.952 -1.023 . . . . 0.0 112.887 176.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.02 91.57 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.588 1.085 . . . . 0.0 109.223 173.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.57 -57.86 8.79 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 16' ' ' ASN . . . -49.63 -45.13 47.92 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.585 1.154 . . . . 0.0 111.507 -174.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.05 -54.98 39.63 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.441 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.49 82.82 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.509 1.049 . . . . 0.0 111.793 -177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -60.08 -50.28 74.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.223 1.809 . . . . 0.0 110.025 174.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.8 -46.67 84.12 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.797 1.639 . . . . 0.0 110.519 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.34 -35.83 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 126.097 1.759 . . . . 0.0 110.283 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.76 -50.52 66.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 119.633 1.106 . . . . 0.0 110.301 173.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.31 -29.22 69.74 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 122.179 -0.326 . . . . 0.0 111.771 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -75.97 -32.21 59.39 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 125.93 1.692 . . . . 0.0 112.457 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -42.03 87.21 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -60.64 -52.13 66.44 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.56 -41.26 60.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.126 0.97 . . . . 0.0 112.122 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -50.74 69.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.562 1.145 . . . . 0.0 110.645 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.16 87.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.706 0.802 . . . . 0.0 111.467 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -61.84 -41.23 97.55 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 126.026 1.73 . . . . 0.0 110.148 175.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.64 -41.97 92.0 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 121.238 -0.914 . . . . 0.0 110.067 177.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t . . . . . 0 C--O 1.236 0.353 0 C-N-CA 123.945 0.898 . . . . 0.0 109.586 176.469 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.208 -1.123 0 CA-C-O 116.66 -1.638 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.36 -26.45 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-N 121.7 2.045 . . . . 0.0 113.27 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -59.35 3.38 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.851 1.205 . . . . 0.0 109.924 173.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 t -64.35 -53.57 46.57 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.397 1.079 . . . . 0.0 110.986 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.08 -34.64 57.47 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 127.029 2.132 . . . . 0.0 111.861 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.23 -42.87 79.11 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.257 0.935 . . . . 0.0 111.049 174.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -62.47 -50.36 71.74 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 123.129 0.572 . . . . 0.0 109.576 176.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.72 -39.49 68.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.878 1.271 . . . . 0.0 110.527 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.27 85.77 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.274 -0.891 . . . . 0.0 112.262 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.92 82.47 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.459 -0.776 . . . . 0.0 110.329 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.21 -43.3 96.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.204 1.802 . . . . 0.0 110.006 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.84 -50.5 72.03 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 124.144 0.978 . . . . 0.0 109.143 174.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.8 t -57.72 -33.41 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 O-C-N 121.021 -1.049 . . . . 0.0 111.718 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.68 73.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.4 1.0 . . . . 0.0 110.731 173.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.25 96.09 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.512 -0.743 . . . . 0.0 109.035 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -63.68 -32.56 74.09 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 126.224 1.81 . . . . 0.0 110.5 174.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -49.24 72.63 Favored 'General case' 0 C--O 1.23 0.062 0 CA-C-N 120.125 1.33 . . . . 0.0 109.571 176.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -61.6 -52.56 63.87 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.65 -44.1 72.95 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.929 0.892 . . . . 0.0 111.657 -176.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.02 70.22 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 124.131 0.973 . . . . 0.0 109.463 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -41.63 89.37 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.843 0.747 . . . . 0.0 112.114 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -57.16 -50.9 71.4 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.956 2.102 . . . . 0.0 109.467 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.77 -40.59 97.06 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 125.193 1.397 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.9 -40.64 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 126.952 2.101 . . . . 0.0 110.501 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.45 82.02 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.089 0.859 . . . . 0.0 109.954 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.66 76.13 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.26 175.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -48.92 -42.47 37.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 126.417 1.887 . . . . 0.0 111.527 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.33 -52.95 57.53 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -75.95 -44.51 39.64 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.7 -40.31 72.23 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.229 1.411 . . . . 0.0 111.752 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.58 80.25 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.833 0.742 . . . . 0.0 109.89 174.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.04 73.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.878 0.871 . . . . 0.0 111.644 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -73.09 -40.46 64.97 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.73 2.412 . . . . 0.0 110.217 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.59 -30.84 67.52 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 120.163 1.347 . . . . 0.0 110.397 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.8 t . . . . . 0 CA--C 1.532 0.281 0 C-N-CA 124.307 1.043 . . . . 0.0 108.982 173.471 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 C--O 1.206 -1.185 0 CA-C-O 115.736 -2.078 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.98 -28.43 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 123.05 2.659 . . . . 0.0 112.47 -170.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.58 -65.67 0.64 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.087 0.858 . . . . 0.0 110.203 173.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.1 m -68.72 -35.6 77.35 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.83 -39.74 92.85 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.81 1.644 . . . . 0.0 111.767 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.77 -42.65 85.76 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.859 0.754 . . . . 0.0 109.928 174.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -56.0 -59.23 5.2 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.36 -37.99 73.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.181 0.992 . . . . 0.0 111.615 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.86 94.18 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 118.769 0.713 . . . . 0.0 111.508 174.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.79 -35.97 64.99 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.538 -0.726 . . . . 0.0 111.124 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -62.39 -39.07 92.03 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.671 1.589 . . . . 0.0 109.962 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.46 -56.71 15.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.414 1.485 . . . . 0.0 110.187 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.15 -37.83 57.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.59 0.756 . . . . 0.0 111.005 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.97 -49.0 74.25 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.091 0.956 . . . . 0.0 111.06 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.29 98.87 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 119.064 0.847 . . . . 0.0 110.061 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -65.5 -17.5 64.6 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.243 1.017 . . . . 0.0 112.411 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.5 -50.05 68.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 119.93 1.241 . . . . 0.0 108.213 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -59.84 -59.97 4.59 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 124.936 1.294 . . . . 0.0 108.641 175.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.47 -37.11 64.85 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.51 -51.16 54.27 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.752 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.29 -37.1 74.35 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.96 1.254 . . . . 0.0 111.675 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -60.3 -45.18 94.27 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.48 1.512 . . . . 0.0 110.713 173.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -69.98 -40.93 75.06 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.825 1.25 . . . . 0.0 110.81 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.29 -37.1 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 109.495 174.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.42 81.42 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.514 1.052 . . . . 0.0 109.684 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.27 -25.35 68.02 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.375 -0.828 . . . . 0.0 112.805 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -75.34 -39.83 58.93 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 126.151 1.78 . . . . 0.0 109.2 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.4 98.92 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -56.34 -54.76 41.7 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 124.484 1.114 . . . . 0.0 108.881 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.12 -40.59 67.5 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.5 1.12 . . . . 0.0 112.406 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -51.26 65.08 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.21 73.88 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.594 1.158 . . . . 0.0 112.31 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.02 -42.89 79.97 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.664 1.986 . . . . 0.0 109.602 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.91 92.8 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.693 0.679 . . . . 0.0 110.664 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.7 t . . . . . 0 C--O 1.231 0.129 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.153 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 CA--C 1.492 -1.278 0 CA-C-O 116.55 -1.69 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.8 t -53.26 -31.54 18.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 120.721 1.601 . . . . 0.0 112.31 -169.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.32 -58.33 6.81 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 119.532 1.06 . . . . 0.0 110.577 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -69.13 -45.09 70.99 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -52.16 -54.23 33.33 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.468 1.507 . . . . 0.0 109.934 173.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.86 -33.33 70.33 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.112 0.869 . . . . 0.0 112.114 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -60.84 -59.11 5.9 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.22 -37.34 74.66 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.386 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.81 96.71 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.394 1.078 . . . . 0.0 111.832 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.31 91.4 Favored 'General case' 0 C--N 1.337 0.039 0 O-C-N 121.189 -0.944 . . . . 0.0 110.056 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -65.99 -28.8 69.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.863 0.865 . . . . 0.0 111.138 174.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.12 -52.61 26.47 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.512 -1.367 . . . . 0.0 109.864 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.63 -32.96 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.492 1.117 . . . . 0.0 110.304 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -56.01 18.43 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.884 1.22 . . . . 0.0 110.625 174.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.0 73.66 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.859 0.864 . . . . 0.0 111.297 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -66.59 -39.29 88.36 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.362 1.465 . . . . 0.0 112.829 173.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.09 75.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 119.554 1.07 . . . . 0.0 110.957 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -62.07 -57.31 12.06 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 173.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.68 60.94 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.138 0.975 . . . . 0.0 112.289 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -46.94 74.89 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.905 1.282 . . . . 0.0 110.665 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.29 79.86 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 118.98 0.809 . . . . 0.0 111.141 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -66.22 -35.44 80.45 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 124.79 1.236 . . . . 0.0 111.533 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -66.71 -52.31 46.0 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.832 1.653 . . . . 0.0 109.542 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.0 -40.37 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 126.215 1.806 . . . . 0.0 110.351 173.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.16 83.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.419 1.009 . . . . 0.0 111.078 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.59 98.9 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.729 -0.607 . . . . 0.0 110.867 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -60.62 -27.36 67.71 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 125.157 1.383 . . . . 0.0 113.224 174.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.96 98.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.498 1.045 . . . . 0.0 109.273 174.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -64.08 -56.26 16.25 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.58 58.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.825 0.85 . . . . 0.0 112.59 -177.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.42 -47.25 64.71 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.304 0.642 . . . . 0.0 110.685 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.99 86.25 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.77 0.828 . . . . 0.0 111.124 177.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.54 -57.41 12.84 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.245 2.218 . . . . 0.0 108.235 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.66 -38.62 67.14 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.061 0.846 . . . . 0.0 111.826 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.6 t . . . . . 0 CA--C 1.531 0.241 0 C-N-CA 123.792 0.837 . . . . 0.0 109.67 174.535 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 CA--C 1.497 -1.074 0 CA-C-O 116.27 -1.824 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.15 -42.25 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 121.149 1.795 . . . . 0.0 112.191 -168.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.8 -60.72 3.26 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 119.341 0.973 . . . . 0.0 112.234 173.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.1 t -62.12 -52.38 64.08 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.413 0.685 . . . . 0.0 110.598 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -51.62 -41.61 61.39 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 126.812 2.045 . . . . 0.0 111.529 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.15 -41.86 80.97 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.897 0.879 . . . . 0.0 109.728 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -60.96 -55.98 26.49 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.34 -43.64 67.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.749 1.22 . . . . 0.0 109.976 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.46 -36.17 75.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.32 -42.29 54.9 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.284 0.634 . . . . 0.0 110.748 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -60.82 -38.93 87.14 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.336 1.854 . . . . 0.0 111.222 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.56 -54.52 45.6 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.326 1.851 . . . . 0.0 108.706 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.92 -34.35 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 124.1 0.96 . . . . 0.0 111.802 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.36 69.65 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.742 1.156 . . . . 0.0 110.698 176.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.88 88.96 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 122.076 0.941 . . . . 0.0 110.747 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -72.58 -19.7 61.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.435 1.094 . . . . 0.0 111.481 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -37.18 83.43 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 120.271 1.396 . . . . 0.0 108.83 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -52.1 64.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.88 -46.11 60.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.044 0.938 . . . . 0.0 111.313 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.89 71.65 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.024 1.33 . . . . 0.0 110.554 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.2 75.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.036 0.535 . . . . 0.0 112.079 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.08 -45.26 77.86 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.614 1.965 . . . . 0.0 110.924 173.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.03 -45.38 93.82 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.688 1.195 . . . . 0.0 109.591 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 t -60.98 -38.28 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 124.853 1.261 . . . . 0.0 110.779 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.47 77.53 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.371 1.442 . . . . 0.0 111.061 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.61 92.63 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 122.816 0.446 . . . . 0.0 110.264 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -57.63 -40.35 79.01 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 125.741 1.616 . . . . 0.0 110.667 175.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.32 93.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.414 0.686 . . . . 0.0 109.659 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -62.37 1.9 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.6 -42.73 64.82 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.014 1.725 . . . . 0.0 112.761 -174.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.11 -52.53 64.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.383 0.538 . . . . 0.0 110.429 174.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.72 90.27 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.548 0.739 . . . . 0.0 110.869 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -56.78 -51.2 69.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 127.356 2.262 . . . . 0.0 110.279 175.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.34 -30.89 71.94 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.622 0.769 . . . . 0.0 111.638 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.5 t . . . . . 0 CA--C 1.53 0.204 0 CA-C-N 119.404 1.002 . . . . 0.0 109.495 174.192 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 115.756 -2.069 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.35 -28.33 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 122.287 2.312 . . . . 0.0 112.535 -172.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.17 -60.93 2.33 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.94 1.246 . . . . 0.0 110.541 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -60.78 -51.53 68.96 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.984 0.514 . . . . 0.0 110.28 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.13 -35.56 71.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.317 1.447 . . . . 0.0 112.863 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 -34.41 59.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 120.128 1.331 . . . . 0.0 111.49 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -59.82 -52.84 63.71 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.5 66.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.363 1.465 . . . . 0.0 110.884 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.76 95.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 119.81 1.187 . . . . 0.0 111.375 174.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.76 76.73 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.794 -1.192 . . . . 0.0 109.93 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.99 -31.58 72.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.905 0.882 . . . . 0.0 110.686 173.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.72 -48.09 70.3 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.178 0.991 . . . . 0.0 108.63 173.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.06 -32.26 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.308 1.443 . . . . 0.0 111.603 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -50.13 50.64 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.449 1.1 . . . . 0.0 110.296 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.9 71.11 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.513 0.725 . . . . 0.0 109.776 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.55 -37.81 80.26 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.952 1.701 . . . . 0.0 113.103 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.44 87.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 120.16 1.346 . . . . 0.0 109.624 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -65.29 -66.23 0.57 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.241 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.76 68.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.09 69.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.437 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.91 81.07 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.006 0.821 . . . . 0.0 110.446 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -60.64 -43.88 97.05 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.657 1.583 . . . . 0.0 110.006 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.47 -46.84 74.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.829 0.852 . . . . 0.0 110.243 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.11 -36.45 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.585 1.154 . . . . 0.0 110.899 174.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 -52.27 63.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.786 0.721 . . . . 0.0 110.441 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.87 83.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.99 0.916 . . . . 0.0 111.556 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.74 -33.4 68.41 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 125.075 1.35 . . . . 0.0 110.937 175.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.72 89.62 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.388 0.995 . . . . 0.0 109.849 174.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -59.46 -58.07 10.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.1 -38.05 64.93 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.983 0.913 . . . . 0.0 112.033 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.29 -49.26 70.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.327 0.651 . . . . 0.0 110.354 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.13 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.439 0.696 . . . . 0.0 110.3 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.45 -46.03 87.38 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.678 1.591 . . . . 0.0 110.661 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.94 70.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.93 0.786 . . . . 0.0 111.815 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.234 0.268 0 CA-C-N 119.946 1.248 . . . . 0.0 108.068 173.77 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 . . . . . 0 CA--C 1.494 -1.178 0 CA-C-O 116.137 -1.887 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.37 -31.11 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 121.459 1.936 . . . . 0.0 111.563 -172.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.67 -61.98 2.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.477 1.035 . . . . 0.0 110.661 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -70.76 -46.16 63.46 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 118.247 -0.883 . . . . 0.0 112.677 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.78 -34.0 62.08 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.5 1.5 . . . . 0.0 112.822 174.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.09 -38.0 61.35 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 120.425 1.466 . . . . 0.0 111.776 174.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -65.47 -47.61 75.49 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.75 -38.49 75.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.528 1.531 . . . . 0.0 110.623 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.63 77.5 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.443 1.02 . . . . 0.0 112.096 174.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.38 -41.76 72.62 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.136 -0.977 . . . . 0.0 110.121 174.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -62.07 -33.74 74.97 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.291 1.837 . . . . 0.0 111.329 176.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.39 -59.13 3.96 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.08 1.752 . . . . 0.0 108.87 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.35 -33.18 30.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.098 1.359 . . . . 0.0 111.72 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.17 -59.64 4.18 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.173 0.989 . . . . 0.0 109.65 173.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.4 -30.39 68.42 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.345 0.593 . . . . 0.0 112.21 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -75.77 -26.04 56.99 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.585 1.554 . . . . 0.0 111.007 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.18 84.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.922 1.237 . . . . 0.0 108.19 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -55.76 -59.61 4.62 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.78 -42.58 58.06 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.105 0.962 . . . . 0.0 112.397 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.97 76.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.998 0.919 . . . . 0.0 110.54 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.64 -36.73 84.77 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.277 0.944 . . . . 0.0 111.679 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.65 -45.29 93.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.54 1.936 . . . . 0.0 109.888 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.31 -43.82 85.15 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 125.183 1.393 . . . . 0.0 110.697 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -58.94 -36.88 64.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.321 1.449 . . . . 0.0 110.454 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.08 84.14 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.378 0.99 . . . . 0.0 111.334 174.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.7 88.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.484 0.714 . . . . 0.0 111.246 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -60.06 -44.89 94.4 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 127.603 2.361 . . . . 0.0 110.366 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.83 -46.28 78.16 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 122.729 0.412 . . . . 0.0 110.157 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -61.54 -54.78 38.68 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 123.642 0.777 . . . . 0.0 110.653 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.84 72.08 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 125.009 1.324 . . . . 0.0 111.358 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.79 83.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.052 0.941 . . . . 0.0 110.82 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.31 83.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.174 0.59 . . . . 0.0 109.875 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -70.3 -32.08 69.69 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.548 1.939 . . . . 0.0 112.596 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.12 -32.02 72.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.657 1.117 . . . . 0.0 109.778 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t . . . . . 0 CA--C 1.534 0.338 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 173.98 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 116.46 -1.733 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 t -50.28 -29.2 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 121.803 2.092 . . . . 0.0 112.205 -173.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.15 -65.86 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.419 1.009 . . . . 0.0 110.769 173.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 m -67.86 -44.8 76.28 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.902 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -52.96 -39.17 62.74 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 126.0 1.72 . . . . 0.0 111.539 174.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.83 96.14 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 119.899 1.227 . . . . 0.0 111.146 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -65.77 -48.67 71.04 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 121.478 -0.764 . . . . 0.0 109.02 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.16 -34.18 63.59 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.1 1.36 . . . . 0.0 111.586 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.8 87.75 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.592 1.157 . . . . 0.0 111.127 174.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.61 90.8 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.427 -0.796 . . . . 0.0 109.379 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.87 -36.11 82.83 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.683 1.593 . . . . 0.0 111.642 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.9 -54.3 40.73 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 124.932 1.293 . . . . 0.0 109.147 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.46 -32.0 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 124.332 1.053 . . . . 0.0 110.658 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -51.56 62.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 119.503 1.047 . . . . 0.0 110.16 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.97 94.23 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.649 0.78 . . . . 0.0 110.306 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -62.15 -42.43 99.24 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.726 1.61 . . . . 0.0 113.176 173.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.15 95.01 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.494 1.043 . . . . 0.0 110.796 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -63.58 -59.6 4.41 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.21 -39.82 45.47 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.847 1.259 . . . . 0.0 112.221 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.17 79.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.769 1.228 . . . . 0.0 111.349 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.44 -36.61 81.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.699 0.761 . . . . 0.0 110.975 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.22 -43.17 99.3 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.885 1.274 . . . . 0.0 110.0 173.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tt -65.24 -46.59 79.98 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.274 1.43 . . . . 0.0 110.061 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -55.05 -44.03 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.764 1.226 . . . . 0.0 111.306 174.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.77 62.47 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.706 1.139 . . . . 0.0 110.717 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 -27.49 68.78 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.575 -0.703 . . . . 0.0 111.509 175.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -73.97 -24.71 59.65 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 124.669 1.188 . . . . 0.0 112.242 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.63 77.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 120.367 1.44 . . . . 0.0 108.712 173.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -60.75 -54.96 38.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.58 67.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.171 0.988 . . . . 0.0 112.143 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.33 -38.38 87.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 119.025 0.829 . . . . 0.0 110.791 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.94 85.92 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 121.418 -0.802 . . . . 0.0 110.406 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -59.51 -43.52 93.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.907 1.683 . . . . 0.0 110.653 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.02 93.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.642 1.177 . . . . 0.0 110.348 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 CA--C 1.53 0.191 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.343 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.205 -1.261 0 CA-C-O 116.06 -1.924 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.6 t -47.09 -34.12 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 121.755 2.07 . . . . 0.0 113.219 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -66.29 0.56 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.244 0.929 . . . . 0.0 110.524 173.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.7 m -67.34 -38.19 84.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.777 -0.577 . . . . 0.0 112.302 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.87 -37.67 77.07 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.958 1.703 . . . . 0.0 110.627 173.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 120.143 1.338 . . . . 0.0 110.211 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -62.34 -55.33 29.12 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.5 62.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.787 1.235 . . . . 0.0 111.553 -177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -50.69 64.59 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 124.818 1.247 . . . . 0.0 111.352 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.43 87.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.198 0.908 . . . . 0.0 111.224 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.5 -44.02 93.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.743 1.617 . . . . 0.0 109.907 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -44.54 76.79 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.753 0.821 . . . . 0.0 109.866 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.85 -34.94 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 120.949 -1.094 . . . . 0.0 110.679 174.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.14 82.16 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.905 1.229 . . . . 0.0 111.217 173.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.41 94.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.255 0.622 . . . . 0.0 110.619 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -65.51 -34.93 79.41 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 125.634 1.574 . . . . 0.0 111.285 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.87 97.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.34 0.973 . . . . 0.0 110.21 174.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -62.11 -54.37 42.18 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.45 70.34 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.623 0.769 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.74 91.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.943 0.897 . . . . 0.0 110.927 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.31 98.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.915 0.486 . . . . 0.0 110.641 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.39 -40.26 93.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.172 1.789 . . . . 0.0 111.392 173.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.26 -53.21 59.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.701 0.8 . . . . 0.0 109.104 175.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.56 -35.51 63.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.133 0.973 . . . . 0.0 110.552 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.22 58.14 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.573 1.079 . . . . 0.0 110.93 176.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.52 91.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.462 -0.774 . . . . 0.0 110.509 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.78 -22.31 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 113.204 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.15 66.91 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -54.49 46.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.52 1.128 . . . . 0.0 108.982 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.6 76.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.365 1.066 . . . . 0.0 112.227 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.61 77.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.057 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.07 -43.74 95.25 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.654 0.661 . . . . 0.0 110.273 174.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.11 -49.22 78.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.846 1.659 . . . . 0.0 109.553 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.485 1.114 . . . . 0.0 111.302 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 CA--C 1.532 0.28 0 C-N-CA 123.496 0.718 . . . . 0.0 109.478 174.019 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 117.409 -1.281 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 74.5 t -52.78 -27.18 11.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 CA-C-N 121.303 1.865 . . . . 0.0 113.36 -172.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.13 -58.83 4.14 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 119.404 1.002 . . . . 0.0 110.236 173.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.6 p -70.58 -43.25 69.81 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.299 0.64 . . . . 0.0 112.214 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.67 -45.59 73.9 Favored 'General case' 0 N--CA 1.46 0.029 0 CA-C-N 120.163 1.347 . . . . 0.0 110.937 173.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.92 -41.52 95.48 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.156 0.889 . . . . 0.0 110.981 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -57.44 -57.94 10.48 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 123.447 0.699 . . . . 0.0 109.39 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.31 -39.12 66.69 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 125.533 1.533 . . . . 0.0 110.87 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.2 -45.44 93.36 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 119.502 1.047 . . . . 0.0 111.479 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.21 -41.51 90.06 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 121.555 -0.715 . . . . 0.0 110.938 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -60.45 -45.68 92.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.559 1.543 . . . . 0.0 111.594 175.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -58.53 -50.17 74.75 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.541 1.136 . . . . 0.0 108.705 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 79.7 t -60.95 -35.79 67.51 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 118.314 -0.85 . . . . 0.0 111.449 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.71 -45.86 90.79 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 120.677 1.581 . . . . 0.0 111.328 174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.06 -44.21 97.17 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.706 0.802 . . . . 0.0 110.645 175.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -60.22 -45.99 91.31 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 124.886 1.274 . . . . 0.0 110.329 177.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.19 -40.7 71.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.846 0.858 . . . . 0.0 110.231 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.3 ttmt -65.95 -62.7 1.35 Allowed 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 173.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.46 -35.54 52.69 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.277 1.031 . . . . 0.0 112.221 -174.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.1 -53.59 29.42 Favored 'General case' 0 N--CA 1.449 -0.519 0 C-N-CA 126.819 2.047 . . . . 0.0 109.688 174.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.52 -35.26 73.83 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.689 1.131 . . . . 0.0 111.914 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -68.82 -39.06 80.22 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 126.61 1.964 . . . . 0.0 109.874 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 tt -69.3 -38.06 78.09 Favored 'General case' 0 C--O 1.219 -0.516 0 O-C-N 120.911 -1.118 . . . . 0.0 110.644 173.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.4 t -61.18 -37.37 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 126.546 1.938 . . . . 0.0 109.103 174.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.6 76.89 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 119.621 1.1 . . . . 0.0 110.158 174.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.9 -41.63 92.05 Favored 'General case' 0 C--O 1.223 -0.294 0 O-C-N 121.826 -0.546 . . . . 0.0 111.44 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 72.5 m-20 -61.72 -38.04 86.42 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 126.34 1.856 . . . . 0.0 111.448 174.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.45 -48.53 74.97 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -55.76 -63.74 1.08 Allowed 'General case' 0 C--O 1.221 -0.407 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 174.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.49 -32.99 63.3 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 125.515 1.526 . . . . 0.0 113.03 -174.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.52 -49.33 33.62 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 119.069 0.85 . . . . 0.0 110.534 174.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.89 81.47 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.792 0.837 . . . . 0.0 110.833 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.18 -53.98 47.5 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.701 2.0 . . . . 0.0 107.473 173.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.21 -32.38 66.44 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 119.068 0.849 . . . . 0.0 112.686 178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.27 -55.25 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 124.432 1.093 . . . . 0.0 108.943 174.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.73 80.8 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.805 0.842 . . . . 0.0 111.281 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -67.95 -9.3 44.18 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.7 1.6 . . . . 0.0 112.868 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 120.216 1.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 C--O 1.209 -1.042 0 CA-C-O 116.824 -1.56 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.33 -23.02 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 121.603 2.002 . . . . 0.0 112.124 -170.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.04 -59.95 2.59 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 120.524 -1.36 . . . . 0.0 109.142 173.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 t -61.23 -55.43 32.08 Favored 'General case' 0 C--O 1.223 -0.335 0 C-N-CA 124.605 1.162 . . . . 0.0 111.034 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -56.32 -34.01 66.14 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.269 1.828 . . . . 0.0 112.429 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.28 65.0 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 120.685 1.584 . . . . 0.0 111.122 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.9 tttm -60.62 -50.06 75.04 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 174.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.28 -42.54 70.15 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.694 1.597 . . . . 0.0 110.234 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.38 -36.3 83.71 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 119.048 0.84 . . . . 0.0 112.349 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.21 74.64 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 119.232 0.924 . . . . 0.0 109.329 174.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -58.29 -38.18 76.5 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 125.608 1.563 . . . . 0.0 111.174 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tt -63.24 -57.46 10.38 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.149 1.379 . . . . 0.0 109.295 176.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 56.3 t -58.9 -30.47 43.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.174 1.389 . . . . 0.0 111.445 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.59 -55.58 11.1 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.88 1.272 . . . . 0.0 110.671 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.46 -34.13 73.57 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.415 0.626 . . . . 0.0 110.36 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -73.2 -30.78 63.76 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 125.514 1.526 . . . . 0.0 112.576 175.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.75 90.57 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 120.55 1.523 . . . . 0.0 109.45 174.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -67.4 -58.51 4.65 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 176.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.3 -38.21 57.83 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.757 1.223 . . . . 0.0 113.06 -177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.04 -53.37 39.33 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 124.696 1.198 . . . . 0.0 109.342 177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.44 -32.85 74.41 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 118.798 0.726 . . . . 0.0 111.946 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.05 -43.92 94.05 Favored 'General case' 0 N--CA 1.441 -0.877 0 C-N-CA 125.28 1.432 . . . . 0.0 109.842 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.4 tt -64.12 -45.56 88.06 Favored 'General case' 0 N--CA 1.448 -0.565 0 C-N-CA 124.676 1.191 . . . . 0.0 110.603 174.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.63 -36.26 64.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 125.526 1.53 . . . . 0.0 110.215 175.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.93 -41.15 83.02 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 120.311 1.414 . . . . 0.0 110.456 173.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.19 -37.87 88.91 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 121.279 -0.888 . . . . 0.0 110.619 173.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -66.37 -30.96 71.46 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 125.759 1.624 . . . . 0.0 110.403 174.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.32 -53.81 42.95 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 174.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -53.66 -62.39 1.68 Allowed 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 126.122 1.769 . . . . 0.0 110.027 177.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.38 -42.5 82.27 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 127.224 2.209 . . . . 0.0 112.734 -174.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.75 -45.16 75.73 Favored 'General case' 0 CA--C 1.526 0.053 0 CA-C-N 119.133 0.879 . . . . 0.0 110.405 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.18 -40.14 84.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 122.933 0.493 . . . . 0.0 110.149 175.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -61.44 -44.65 96.75 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 123.762 0.825 . . . . 0.0 111.002 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.48 -39.69 84.55 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.721 1.146 . . . . 0.0 111.32 175.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.9 t -61.42 -47.55 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 118.922 -0.561 . . . . 0.0 109.73 174.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.39 90.75 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.865 0.866 . . . . 0.0 111.11 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -66.47 -9.04 30.36 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.211 1.004 . . . . 0.0 111.982 174.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 120.392 1.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.209 -1.075 0 CA-C-O 116.332 -1.794 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.6 t -48.42 -34.48 5.27 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.491 0 CA-C-N 121.435 1.925 . . . . 0.0 112.261 -175.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.21 -62.83 1.5 Allowed 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 118.926 0.784 . . . . 0.0 111.865 173.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 88.0 p -66.07 -42.25 89.69 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 120.604 -0.438 . . . . 0.0 111.462 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -62.58 -39.18 92.89 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 126.562 1.945 . . . . 0.0 113.442 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.93 -41.97 70.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 119.79 1.177 . . . . 0.0 110.062 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -56.2 -55.32 34.6 Favored 'General case' 0 CA--C 1.519 -0.242 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.21 -33.76 67.85 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.592 1.157 . . . . 0.0 111.347 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.31 -41.37 94.11 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 120.058 1.299 . . . . 0.0 112.136 174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -37.87 83.84 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 121.308 -0.87 . . . . 0.0 110.189 176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -65.07 -43.67 91.46 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.151 1.381 . . . . 0.0 111.303 175.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -57.14 -51.3 69.87 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.849 1.26 . . . . 0.0 109.614 174.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 t -56.06 -39.74 59.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-O 117.063 -1.446 . . . . 0.0 111.39 173.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.94 -54.35 43.03 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 120.245 1.384 . . . . 0.0 110.341 176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.01 -45.25 79.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.303 0.641 . . . . 0.0 110.275 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -61.16 -40.19 92.95 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 125.357 1.463 . . . . 0.0 113.816 174.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.01 -33.07 71.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 119.223 0.919 . . . . 0.0 110.698 177.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -65.23 -53.68 40.82 Favored 'General case' 0 CA--C 1.521 -0.143 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.9 -38.75 62.11 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 124.976 1.31 . . . . 0.0 111.62 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.42 -48.6 72.24 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.371 1.068 . . . . 0.0 110.893 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.98 86.99 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.975 0.807 . . . . 0.0 111.341 177.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -61.42 -43.82 98.21 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 125.281 1.432 . . . . 0.0 110.108 174.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.58 -47.35 76.06 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.267 1.427 . . . . 0.0 110.49 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.0 -35.99 54.53 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 124.574 1.15 . . . . 0.0 110.054 174.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.74 -44.51 85.73 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 120.441 1.473 . . . . 0.0 111.77 174.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.95 93.2 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.183 -0.948 . . . . 0.0 110.343 174.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -65.64 -27.26 68.25 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 124.758 1.223 . . . . 0.0 112.948 173.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.04 -41.0 95.59 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 119.327 0.967 . . . . 0.0 109.004 174.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -64.14 -53.12 54.5 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.132 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -49.66 -47.97 49.75 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 125.687 1.595 . . . . 0.0 112.123 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.79 -48.84 77.38 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 123.477 0.711 . . . . 0.0 110.609 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.1 -47.7 84.29 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.408 0.683 . . . . 0.0 110.762 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -53.68 -54.68 34.44 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.673 1.989 . . . . 0.0 110.031 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.2 -34.82 78.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.54 0.736 . . . . 0.0 112.22 -177.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 36.8 t -67.26 -57.54 9.45 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 119.044 0.838 . . . . 0.0 108.927 176.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.02 -46.5 82.31 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.705 0.802 . . . . 0.0 110.448 -176.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -95.79 36.01 1.33 Allowed 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.301 1.041 . . . . 0.0 110.443 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 121.447 -0.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 . . . . . 0 C--O 1.206 -1.189 0 CA-C-O 116.747 -1.597 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.4 t -51.96 -31.22 13.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.499 0 CA-C-N 121.074 1.761 . . . . 0.0 112.026 -169.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.34 -59.49 4.31 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 119.593 1.088 . . . . 0.0 111.624 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.3 t -59.68 -51.98 67.49 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 125.626 1.57 . . . . 0.0 110.325 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.01 -44.86 96.79 Favored 'General case' 0 N--CA 1.444 -0.758 0 C-N-CA 126.678 1.991 . . . . 0.0 111.499 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.8 -33.84 76.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 119.859 1.209 . . . . 0.0 111.161 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -53.99 51.16 Favored 'General case' 0 CA--C 1.516 -0.328 0 O-C-N 121.383 -0.823 . . . . 0.0 108.813 174.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.21 -37.52 69.77 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 124.051 0.94 . . . . 0.0 111.235 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.48 -38.12 88.85 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 124.289 1.036 . . . . 0.0 111.779 177.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.77 -47.1 55.87 Favored 'General case' 0 C--O 1.226 -0.166 0 C-N-CA 123.418 0.687 . . . . 0.0 110.096 174.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.72 -38.4 81.57 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.437 1.495 . . . . 0.0 111.352 179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -56.97 -54.78 42.78 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 124.601 1.161 . . . . 0.0 109.673 173.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.89 -35.62 57.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 124.45 1.1 . . . . 0.0 110.876 174.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.68 70.6 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 119.313 0.96 . . . . 0.0 110.209 178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -46.41 89.41 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 121.433 0.635 . . . . 0.0 109.698 176.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.511 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 68.5 m-20 -63.96 -24.96 67.93 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.026 1.33 . . . . 0.0 112.311 -176.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.64 97.31 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.726 1.148 . . . . 0.0 109.636 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -72.44 -46.88 52.96 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 174.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' A' ' 16' ' ' ASN . . . -55.27 -33.08 62.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.217 0.607 . . . . 0.0 112.206 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.79 -48.68 70.96 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 125.289 1.436 . . . . 0.0 109.834 174.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.7 -41.1 94.54 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.67 0.388 . . . . 0.0 111.474 177.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.35 -44.15 92.72 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 126.198 1.799 . . . . 0.0 110.015 174.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.8 tt -64.1 -47.89 78.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 124.107 0.963 . . . . 0.0 110.151 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.15 -38.42 74.14 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 125.015 1.326 . . . . 0.0 110.748 174.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.71 -45.24 90.87 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.251 0.932 . . . . 0.0 110.891 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.37 92.73 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.627 -0.67 . . . . 0.0 110.628 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.7 m-20 -58.78 -30.14 67.35 Favored 'General case' 0 C--O 1.226 -0.175 0 C-N-CA 124.721 1.208 . . . . 0.0 111.752 177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.64 97.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 119.389 0.995 . . . . 0.0 110.408 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -51.28 61.87 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 177.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.23 -33.73 63.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.816 1.246 . . . . 0.0 112.496 177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.12 -52.09 31.77 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.937 0.895 . . . . 0.0 109.66 175.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.75 -34.54 71.5 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.597 0.635 . . . . 0.0 112.302 177.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -65.94 -52.93 45.46 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.695 1.598 . . . . 0.0 108.797 174.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.68 -37.03 77.68 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 118.673 0.67 . . . . 0.0 112.303 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 7.1 t -57.99 -58.92 4.32 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 125.855 1.662 . . . . 0.0 108.633 173.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.25 -36.37 79.81 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.422 0.689 . . . . 0.0 111.517 -177.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.7 mmt85 -69.38 -8.96 51.13 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.31 1.044 . . . . 0.0 112.468 177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 120.181 1.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.208 -1.129 0 CA-C-O 116.783 -1.579 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.3 t -50.37 -31.07 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 120.735 1.607 . . . . 0.0 113.16 -173.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.33 -65.21 0.71 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 119.694 1.134 . . . . 0.0 110.246 173.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.3 t -57.43 -50.21 73.74 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 123.776 0.83 . . . . 0.0 110.111 179.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.39 -33.4 71.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 126.213 1.805 . . . . 0.0 112.465 176.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.5 -49.41 71.46 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 120.387 1.449 . . . . 0.0 108.765 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 tptt -57.12 -57.8 10.98 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.33 1.052 . . . . 0.0 109.027 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.17 -36.23 72.74 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 125.322 1.449 . . . . 0.0 110.935 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.5 -39.07 93.47 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 120.252 1.387 . . . . 0.0 112.087 176.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.07 -42.59 84.43 Favored 'General case' 0 CA--C 1.53 0.182 0 O-C-N 121.375 -0.828 . . . . 0.0 109.966 174.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -64.55 -30.66 71.69 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.808 1.243 . . . . 0.0 111.532 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.3 tt -67.64 -46.66 71.81 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.312 1.445 . . . . 0.0 109.287 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.2 t -62.36 -34.55 64.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 C-N-CA 125.713 1.605 . . . . 0.0 111.54 174.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.44 -52.04 55.98 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 119.122 0.874 . . . . 0.0 109.583 174.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.33 -37.26 69.72 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.088 0.555 . . . . 0.0 111.113 174.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -64.51 -44.11 91.95 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.2 1.4 . . . . 0.0 111.416 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.33 -44.1 83.94 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 123.448 0.699 . . . . 0.0 110.021 179.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.2 tptt -63.88 -57.89 8.46 Favored 'General case' 0 C--O 1.225 -0.215 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 174.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -51.99 -40.17 60.52 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.971 1.308 . . . . 0.0 112.838 -174.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.63 -54.95 23.82 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.953 1.301 . . . . 0.0 109.476 176.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -33.77 73.71 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.414 0.552 . . . . 0.0 111.927 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.11 -46.17 82.14 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 126.32 1.848 . . . . 0.0 110.829 174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 tt -62.53 -46.46 88.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.222 1.009 . . . . 0.0 110.348 177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 83.8 t -63.14 -32.6 56.87 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.423 1.089 . . . . 0.0 110.071 176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.48 -38.28 80.89 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 119.437 1.017 . . . . 0.0 111.799 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.95 -48.25 71.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 119.028 0.831 . . . . 0.0 109.299 173.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -52.07 -39.19 59.3 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.723 1.209 . . . . 0.0 110.651 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -57.02 -50.66 72.05 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 118.866 0.757 . . . . 0.0 110.478 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -63.62 -56.43 15.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 -179.232 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.25 -39.51 72.68 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 124.257 1.023 . . . . 0.0 112.251 -174.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.2 -48.83 76.66 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.388 1.075 . . . . 0.0 111.05 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.18 -43.79 98.32 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.782 0.833 . . . . 0.0 110.443 178.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -60.15 -43.67 95.57 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.047 1.739 . . . . 0.0 110.804 175.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.24 98.15 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.109 0.564 . . . . 0.0 110.847 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t -66.16 -41.24 88.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-O 118.835 -0.602 . . . . 0.0 110.333 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.08 -47.91 79.86 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.74 0.7 . . . . 0.0 109.651 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.5 mtt85 -71.36 2.81 4.35 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 174.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 120.688 1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.205 -1.261 0 CA-C-O 116.06 -1.924 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.6 t -47.09 -34.12 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 121.755 2.07 . . . . 0.0 113.219 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -66.29 0.56 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.244 0.929 . . . . 0.0 110.524 173.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.7 m -67.34 -38.19 84.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.777 -0.577 . . . . 0.0 112.302 -178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.87 -37.67 77.07 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.958 1.703 . . . . 0.0 110.627 173.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 120.143 1.338 . . . . 0.0 110.211 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -62.34 -55.33 29.12 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.5 62.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.787 1.235 . . . . 0.0 111.553 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -50.69 64.59 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 124.818 1.247 . . . . 0.0 111.352 175.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.43 87.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.198 0.908 . . . . 0.0 111.224 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.5 -44.02 93.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.743 1.617 . . . . 0.0 109.907 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -44.54 76.79 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.753 0.821 . . . . 0.0 109.866 178.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.85 -34.94 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 120.949 -1.094 . . . . 0.0 110.679 174.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.14 82.16 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.905 1.229 . . . . 0.0 111.217 173.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.41 94.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.255 0.622 . . . . 0.0 110.619 174.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -65.51 -34.93 79.41 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 125.634 1.574 . . . . 0.0 111.285 177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.87 97.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.34 0.973 . . . . 0.0 110.21 174.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -62.11 -54.37 42.18 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.45 70.34 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.623 0.769 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.74 91.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.943 0.897 . . . . 0.0 110.927 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.31 98.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.915 0.486 . . . . 0.0 110.641 177.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.39 -40.26 93.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.172 1.789 . . . . 0.0 111.392 173.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.26 -53.21 59.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.701 0.8 . . . . 0.0 109.104 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.56 -35.51 63.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.133 0.973 . . . . 0.0 110.552 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.22 58.14 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.573 1.079 . . . . 0.0 110.93 176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.52 91.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.462 -0.774 . . . . 0.0 110.509 177.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.78 -22.31 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 113.204 173.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.15 66.91 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -54.49 46.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.52 1.128 . . . . 0.0 108.982 175.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.6 76.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.365 1.066 . . . . 0.0 112.227 -175.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.61 77.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.057 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.07 -43.74 95.25 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.654 0.661 . . . . 0.0 110.273 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.11 -49.22 78.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.846 1.659 . . . . 0.0 109.553 174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.485 1.114 . . . . 0.0 111.302 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.3 -44.83 90.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.496 0.718 . . . . 0.0 109.478 174.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.75 -28.87 70.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.782 0.719 . . . . 0.0 112.005 175.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -81.53 -3.12 52.27 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.402 1.081 . . . . 0.0 111.546 173.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 120.703 1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 115.756 -2.069 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.35 -28.33 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 122.287 2.312 . . . . 0.0 112.535 -172.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.17 -60.93 2.33 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.94 1.246 . . . . 0.0 110.541 173.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -60.78 -51.53 68.96 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.984 0.514 . . . . 0.0 110.28 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.13 -35.56 71.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.317 1.447 . . . . 0.0 112.863 -179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 -34.41 59.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 120.128 1.331 . . . . 0.0 111.49 173.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -59.82 -52.84 63.71 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.5 66.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.363 1.465 . . . . 0.0 110.884 174.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.76 95.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 119.81 1.187 . . . . 0.0 111.375 174.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.76 76.73 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.794 -1.192 . . . . 0.0 109.93 174.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.99 -31.58 72.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.905 0.882 . . . . 0.0 110.686 173.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.72 -48.09 70.3 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.178 0.991 . . . . 0.0 108.63 173.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.06 -32.26 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.308 1.443 . . . . 0.0 111.603 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -50.13 50.64 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.449 1.1 . . . . 0.0 110.296 174.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.9 71.11 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.513 0.725 . . . . 0.0 109.776 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.55 -37.81 80.26 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.952 1.701 . . . . 0.0 113.103 173.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.44 87.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 120.16 1.346 . . . . 0.0 109.624 176.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -65.29 -66.23 0.57 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.241 174.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.76 68.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.09 69.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.437 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.91 81.07 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.006 0.821 . . . . 0.0 110.446 176.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -60.64 -43.88 97.05 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.657 1.583 . . . . 0.0 110.006 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.47 -46.84 74.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.829 0.852 . . . . 0.0 110.243 178.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.11 -36.45 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.585 1.154 . . . . 0.0 110.899 174.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 -52.27 63.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.786 0.721 . . . . 0.0 110.441 176.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.87 83.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.99 0.916 . . . . 0.0 111.556 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.74 -33.4 68.41 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 125.075 1.35 . . . . 0.0 110.937 175.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.72 89.62 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.388 0.995 . . . . 0.0 109.849 174.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -59.46 -58.07 10.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.1 -38.05 64.93 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.983 0.913 . . . . 0.0 112.033 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.29 -49.26 70.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.327 0.651 . . . . 0.0 110.354 176.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.13 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.439 0.696 . . . . 0.0 110.3 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.45 -46.03 87.38 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.678 1.591 . . . . 0.0 110.661 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.94 70.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.93 0.786 . . . . 0.0 111.815 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.3 -53.47 32.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 119.946 1.248 . . . . 0.0 108.068 173.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.24 -29.98 70.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.434 1.094 . . . . 0.0 112.275 -177.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -66.93 -12.14 58.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.165 0.986 . . . . 0.0 112.37 174.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 120.396 1.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 . . . . . 0 C--O 1.209 -1.039 0 CA-C-O 116.322 -1.799 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -53.28 -33.8 21.38 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 121.32 1.873 . . . . 0.0 112.279 -169.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.26 -57.92 6.5 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 119.568 1.077 . . . . 0.0 111.129 173.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.45 -52.26 65.98 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.417 0.287 . . . . 0.0 110.694 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -54.6 -38.95 67.37 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 126.621 1.968 . . . . 0.0 111.558 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.59 -49.59 65.86 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 177.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -57.27 -57.03 14.4 Favored 'General case' 0 CA--C 1.512 -0.492 0 C-N-CA 123.366 0.666 . . . . 0.0 109.286 -178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.46 -43.9 80.01 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 125.155 1.382 . . . . 0.0 111.03 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.93 -43.3 99.17 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 123.092 0.557 . . . . 0.0 111.599 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.61 -41.64 83.68 Favored 'General case' 0 C--O 1.225 -0.19 0 O-C-N 121.481 -0.762 . . . . 0.0 110.528 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -60.0 -44.52 94.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.013 2.125 . . . . 0.0 110.777 178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.87 -50.21 71.25 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.506 0.723 . . . . 0.0 109.858 174.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.21 -29.83 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.746 0 C-N-CA 124.073 0.949 . . . . 0.0 111.688 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.53 -45.24 80.13 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.308 1.043 . . . . 0.0 109.6 174.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.97 95.87 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 123.791 0.836 . . . . 0.0 109.841 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -53.64 -39.18 64.79 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 125.18 1.392 . . . . 0.0 111.214 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.62 71.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 119.051 0.841 . . . . 0.0 110.437 178.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -75.7 -52.05 11.34 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.416 0.686 . . . . 0.0 109.328 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.64 -44.23 81.08 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.556 1.542 . . . . 0.0 112.371 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.05 -41.76 90.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.85 -36.08 82.07 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.913 0.778 . . . . 0.0 111.876 175.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 78.4 mt-10 -63.87 -39.95 95.4 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.676 1.99 . . . . 0.0 109.947 174.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.5 tt -65.2 -46.44 80.68 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.66 1.184 . . . . 0.0 110.046 174.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -59.07 -34.65 53.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 126.153 1.781 . . . . 0.0 110.983 174.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -45.5 82.9 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.529 1.059 . . . . 0.0 110.95 174.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.3 96.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.797 0.439 . . . . 0.0 111.057 174.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -57.19 -42.13 80.63 Favored 'General case' 0 CA--C 1.52 -0.211 0 C-N-CA 124.773 1.229 . . . . 0.0 109.938 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.5 -40.14 90.3 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 118.466 0.575 . . . . 0.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -63.53 -61.71 2.15 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 174.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.7 -35.16 60.82 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.548 1.139 . . . . 0.0 112.52 -175.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.34 -53.48 29.21 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.043 0.937 . . . . 0.0 110.369 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.37 -43.12 78.89 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.422 0.689 . . . . 0.0 110.461 179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -63.94 -41.21 97.68 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 126.961 2.105 . . . . 0.0 110.972 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.93 -28.95 66.0 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 121.52 -0.738 . . . . 0.0 111.377 177.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.4 t -71.0 -49.76 47.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 N-CA-C 107.531 -1.285 . . . . 0.0 107.531 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.8 -50.96 67.24 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.244 1.417 . . . . 0.0 110.561 -178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.5 mmt85 -96.5 40.33 1.13 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.096 0.958 . . . . 0.0 111.003 173.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 120.755 -1.216 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 . . . . . 0 C--O 1.203 -1.345 0 CA-C-O 116.534 -1.698 . . . . 0.0 112.137 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.78 -28.07 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 121.615 2.007 . . . . 0.0 112.153 -173.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.13 -59.36 4.19 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 121.197 -0.939 . . . . 0.0 110.321 173.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.3 p -62.56 -51.06 68.87 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -56.97 -33.75 67.37 Favored 'General case' 0 N--CA 1.445 -0.678 0 C-N-CA 126.827 2.051 . . . . 0.0 111.94 -175.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.99 -39.93 68.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 119.953 1.252 . . . . 0.0 111.096 173.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' HE3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -64.32 -49.96 69.68 Favored 'General case' 0 C--O 1.226 -0.177 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 176.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.37 72.59 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 126.145 1.778 . . . . 0.0 110.112 174.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.98 90.06 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 119.579 1.081 . . . . 0.0 111.851 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.2 -46.84 72.66 Favored 'General case' 0 C--O 1.227 -0.113 0 O-C-N 121.32 -0.862 . . . . 0.0 109.664 174.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.94 -33.3 70.43 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.537 1.535 . . . . 0.0 111.175 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tt -64.84 -58.19 6.86 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 126.388 1.875 . . . . 0.0 108.867 173.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.36 -30.87 47.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 C-N-CA 124.406 1.082 . . . . 0.0 111.854 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.83 -48.74 35.29 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 125.736 1.615 . . . . 0.0 111.208 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -36.1 80.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 121.195 0.521 . . . . 0.0 109.819 174.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -67.94 -35.94 79.26 Favored 'General case' 0 C--O 1.219 -0.508 0 C-N-CA 125.26 1.424 . . . . 0.0 110.756 174.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.76 91.69 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 120.117 1.326 . . . . 0.0 110.656 174.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -65.67 -57.8 7.22 Favored 'General case' 0 CA--C 1.52 -0.21 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.88 -35.09 61.2 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.776 1.23 . . . . 0.0 112.418 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.21 -52.6 64.1 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.016 1.326 . . . . 0.0 110.316 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.24 85.15 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.619 0.768 . . . . 0.0 111.56 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.21 -44.75 96.78 Favored 'General case' 0 N--CA 1.445 -0.693 0 C-N-CA 124.93 1.292 . . . . 0.0 109.77 174.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 tt -66.76 -43.4 84.19 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 124.533 1.133 . . . . 0.0 110.823 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 53.8 t -57.72 -40.74 77.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 124.589 1.155 . . . . 0.0 110.319 174.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.26 -45.71 93.38 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.065 1.302 . . . . 0.0 110.818 175.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.07 -35.63 79.23 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 120.981 -1.074 . . . . 0.0 111.756 174.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -68.04 -23.56 64.99 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 125.466 1.507 . . . . 0.0 111.836 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.88 83.18 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 173.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -63.68 -51.98 62.68 Favored 'General case' 0 N--CA 1.453 -0.319 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.95 -41.97 62.48 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.637 1.175 . . . . 0.0 112.165 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.6 78.73 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.341 0.519 . . . . 0.0 111.419 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.17 93.45 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 118.648 0.658 . . . . 0.0 111.437 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -60.3 -46.01 91.38 Favored 'General case' 0 N--CA 1.445 -0.711 0 C-N-CA 126.521 1.928 . . . . 0.0 109.872 176.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.14 -48.04 77.6 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 121.195 -0.941 . . . . 0.0 110.783 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.4 t -57.62 -43.56 83.65 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.886 0.875 . . . . 0.0 109.185 178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.03 -41.6 88.19 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.953 0.901 . . . . 0.0 111.886 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mmt180 -77.92 -0.53 27.89 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 121.404 -0.81 . . . . 0.0 112.568 175.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.398 0 O-C-N 120.423 -1.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 . . . . . 0 CA--C 1.497 -1.075 0 CA-C-O 116.693 -1.623 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.7 t -54.16 -31.86 22.44 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.396 0 CA-C-N 121.474 1.943 . . . . 0.0 111.972 -170.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.16 -48.72 78.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 119.205 0.912 . . . . 0.0 112.627 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.9 p -73.91 -48.6 29.66 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.787 0.721 . . . . 0.0 111.55 174.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.67 -35.18 78.84 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 125.634 1.574 . . . . 0.0 111.803 -174.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.3 -39.03 89.08 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 119.947 1.249 . . . . 0.0 110.7 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.4 tttm -61.22 -56.44 20.62 Favored 'General case' 0 CA--C 1.52 -0.198 0 C-N-CA 123.949 0.899 . . . . 0.0 108.853 175.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.54 -34.79 73.09 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 124.833 1.253 . . . . 0.0 111.377 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.24 -49.6 71.29 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 124.299 1.04 . . . . 0.0 109.94 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.42 98.61 Favored 'General case' 0 C--O 1.227 -0.104 0 C-N-CA 122.765 0.426 . . . . 0.0 111.001 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.55 -40.31 92.73 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 125.11 1.364 . . . . 0.0 110.888 177.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 24.7 tp -63.58 -44.83 92.92 Favored 'General case' 0 N--CA 1.449 -0.515 0 O-C-N 121.815 -0.553 . . . . 0.0 110.159 173.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.5 t -59.32 -42.19 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 124.344 1.058 . . . . 0.0 110.419 175.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.92 -49.91 75.84 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 119.302 0.955 . . . . 0.0 109.727 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.57 -44.63 89.8 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.285 0.493 . . . . 0.0 111.141 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -64.73 -30.05 71.05 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 127.101 2.161 . . . . 0.0 111.665 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.74 -33.05 72.33 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.825 1.193 . . . . 0.0 110.691 176.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -68.69 -54.03 18.64 Favored 'General case' 0 CA--C 1.517 -0.32 0 C-N-CA 124.342 1.057 . . . . 0.0 108.824 174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.25 62.63 Favored 'General case' 0 N--CA 1.448 -0.529 0 C-N-CA 124.322 1.049 . . . . 0.0 112.119 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.51 -44.87 81.33 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.099 1.36 . . . . 0.0 110.357 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.83 -37.18 86.74 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.165 0.507 . . . . 0.0 111.5 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -61.09 -43.84 98.28 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.049 1.339 . . . . 0.0 108.868 173.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.09 -39.54 95.01 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 118.262 -0.875 . . . . 0.0 111.773 174.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 51.7 t -59.64 -37.45 70.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 120.648 1.567 . . . . 0.0 110.476 173.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.15 -46.42 70.85 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 119.218 0.917 . . . . 0.0 110.758 175.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.14 -38.68 80.25 Favored 'General case' 0 CA--C 1.529 0.169 0 O-C-N 121.94 -0.475 . . . . 0.0 110.944 176.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -62.13 -36.08 80.69 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 127.162 2.185 . . . . 0.0 111.497 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.56 -44.6 77.84 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 119.595 1.089 . . . . 0.0 110.339 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -57.93 -55.89 29.09 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.713 0.768 . . . . 0.0 109.088 174.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.65 -28.87 64.11 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.619 1.168 . . . . 0.0 112.756 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.8 -41.58 62.15 Favored 'General case' 0 C--O 1.227 -0.125 0 CA-C-N 119.618 1.099 . . . . 0.0 110.465 175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.18 -45.05 94.43 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 118.653 0.661 . . . . 0.0 109.293 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.75 -41.44 95.4 Favored 'General case' 0 N--CA 1.447 -0.609 0 C-N-CA 124.974 1.31 . . . . 0.0 110.067 174.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.89 85.28 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.937 0.895 . . . . 0.0 111.853 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 8.3 t -64.73 -47.07 90.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.166 0 C-N-CA 124.977 1.311 . . . . 0.0 109.539 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.25 -42.4 91.04 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.314 0.578 . . . . 0.0 110.144 174.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -72.08 7.63 1.59 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.396 1.478 . . . . 0.0 112.892 173.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 120.179 1.354 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 . . . . . 0 CA--C 1.501 -0.913 0 CA-C-O 116.716 -1.611 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.4 t -49.38 -37.62 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 121.352 1.887 . . . . 0.0 112.177 -169.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.62 -60.04 4.28 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.745 0.702 . . . . 0.0 111.752 173.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.6 m -65.03 -44.03 90.48 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.271 -0.893 . . . . 0.0 112.317 179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.81 -34.29 69.49 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 126.879 2.071 . . . . 0.0 111.002 174.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.63 -43.5 84.55 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -63.12 -50.7 69.42 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 -179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.54 -42.65 71.17 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 123.563 0.745 . . . . 0.0 110.916 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.54 82.6 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 118.654 0.661 . . . . 0.0 111.81 174.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.82 -36.64 64.96 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.208 -0.933 . . . . 0.0 111.677 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -63.42 -37.8 88.69 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.916 2.086 . . . . 0.0 110.157 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.18 -55.36 29.44 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 125.025 1.33 . . . . 0.0 109.186 173.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 97.8 t -61.34 -32.73 53.99 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 CA-C-O 118.41 -0.805 . . . . 0.0 111.695 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.08 69.97 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.613 1.097 . . . . 0.0 110.934 175.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.66 -45.1 93.06 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.453 0.644 . . . . 0.0 109.794 176.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 -66.2 -32.48 73.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.025 1.33 . . . . 0.0 111.488 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -43.38 98.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -61.55 -56.47 19.65 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 118.117 -0.944 . . . . 0.0 109.022 174.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.0 -46.51 68.36 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.984 1.713 . . . . 0.0 112.642 -174.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.87 -48.63 80.91 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 123.715 0.806 . . . . 0.0 109.528 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.38 -25.72 66.1 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -70.09 -40.73 74.78 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 126.185 1.794 . . . . 0.0 109.814 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.4 tt -64.2 -53.98 40.72 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 125.943 1.697 . . . . 0.0 109.114 174.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.9 t -58.34 -33.77 48.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 125.191 1.397 . . . . 0.0 111.374 175.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.46 -45.89 74.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.768 1.167 . . . . 0.0 111.725 176.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.41 87.55 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 121.285 -0.885 . . . . 0.0 109.742 173.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.58 -25.85 68.42 Favored 'General case' 0 C--O 1.225 -0.202 0 O-C-N 121.671 -0.643 . . . . 0.0 111.036 173.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.28 -43.27 95.3 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 119.618 1.099 . . . . 0.0 109.299 176.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -60.1 -54.73 42.47 Favored 'General case' 0 CA--C 1.52 -0.2 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.34 -45.51 55.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.493 1.117 . . . . 0.0 111.761 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.98 -34.42 78.4 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.127 0.971 . . . . 0.0 112.338 -177.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.97 -49.71 27.53 Favored 'General case' 0 N--CA 1.441 -0.912 0 CA-C-N 119.445 1.02 . . . . 0.0 109.611 173.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -56.07 -39.84 72.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.862 1.665 . . . . 0.0 111.674 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.03 99.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.825 1.25 . . . . 0.0 110.543 176.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.68 -46.19 96.98 Favored 'Isoleucine or valine' 0 C--O 1.231 0.124 0 CA-C-O 118.553 -0.737 . . . . 0.0 109.242 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.21 -48.84 80.11 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.783 0.833 . . . . 0.0 111.053 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 58.1 mtt85 -72.6 3.59 4.82 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 121.03 -1.044 . . . . 0.0 113.524 173.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 120.527 1.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 CA--C 1.498 -1.056 0 CA-C-O 116.405 -1.759 . . . . 0.0 111.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.9 t -46.9 -38.33 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 121.425 1.92 . . . . 0.0 112.8 -170.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.7 -60.08 3.51 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.051 0.94 . . . . 0.0 113.039 174.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.6 t -58.73 -50.98 71.91 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 123.595 0.758 . . . . 0.0 109.631 177.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -51.06 -45.58 61.44 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.043 1.337 . . . . 0.0 110.857 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.8 -36.01 82.95 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 119.117 0.871 . . . . 0.0 110.822 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -60.26 3.7 Favored 'General case' 0 C--N 1.339 0.112 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 174.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.74 -36.76 67.63 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.947 0.899 . . . . 0.0 111.734 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.08 -45.65 93.87 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.998 1.719 . . . . 0.0 111.689 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.45 -40.3 77.24 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.991 0.517 . . . . 0.0 110.03 178.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -61.02 -40.54 93.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.456 1.503 . . . . 0.0 111.152 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.0 tt -59.76 -47.09 87.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.253 1.021 . . . . 0.0 109.133 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.2 t -64.0 -36.28 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 125.065 1.346 . . . . 0.0 111.188 173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.75 69.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.15 0.98 . . . . 0.0 109.8 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.28 -36.55 84.45 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 119.02 0.827 . . . . 0.0 110.135 173.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 73.0 m-20 -63.38 -19.25 64.51 Favored 'General case' 0 C--O 1.227 -0.099 0 CA-C-O 117.952 -1.023 . . . . 0.0 112.887 176.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.46 -46.02 91.57 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.588 1.085 . . . . 0.0 109.223 173.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.57 -57.86 8.79 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 174.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.423 ' HB3' ' HA ' ' A' ' 16' ' ' ASN . . . -49.63 -45.13 47.92 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.585 1.154 . . . . 0.0 111.507 -174.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.05 -54.98 39.63 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.441 177.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.49 82.82 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 119.509 1.049 . . . . 0.0 111.793 -177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -60.08 -50.28 74.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 126.223 1.809 . . . . 0.0 110.025 174.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.8 -46.67 84.12 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 125.797 1.639 . . . . 0.0 110.519 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.34 -35.83 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 C-N-CA 126.097 1.759 . . . . 0.0 110.283 175.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.76 -50.52 66.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 119.633 1.106 . . . . 0.0 110.301 173.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.31 -29.22 69.74 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 122.179 -0.326 . . . . 0.0 111.771 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -75.97 -32.21 59.39 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 125.93 1.692 . . . . 0.0 112.457 173.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.67 -42.03 87.21 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -60.64 -52.13 66.44 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -51.56 -41.26 60.99 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.126 0.97 . . . . 0.0 112.122 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -50.74 69.39 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.562 1.145 . . . . 0.0 110.645 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.03 -45.16 87.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.706 0.802 . . . . 0.0 111.467 177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -61.84 -41.23 97.55 Favored 'General case' 0 N--CA 1.445 -0.702 0 C-N-CA 126.026 1.73 . . . . 0.0 110.148 175.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.64 -41.97 92.0 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 121.238 -0.914 . . . . 0.0 110.067 177.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.45 -59.52 3.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 123.945 0.898 . . . . 0.0 109.586 176.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.48 -36.08 63.28 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -173.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -134.21 -5.69 2.67 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.516 1.126 . . . . 0.0 113.478 -173.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 120.056 1.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.208 -1.123 0 CA-C-O 116.66 -1.638 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.5 t -52.36 -26.45 9.16 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 CA-C-N 121.7 2.045 . . . . 0.0 113.27 -175.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -59.35 3.38 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.851 1.205 . . . . 0.0 109.924 173.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.5 t -64.35 -53.57 46.57 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.397 1.079 . . . . 0.0 110.986 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.08 -34.64 57.47 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 127.029 2.132 . . . . 0.0 111.861 178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.23 -42.87 79.11 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.257 0.935 . . . . 0.0 111.049 174.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.3 tptt -62.47 -50.36 71.74 Favored 'General case' 0 CA--C 1.517 -0.315 0 C-N-CA 123.129 0.572 . . . . 0.0 109.576 176.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.72 -39.49 68.27 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 124.878 1.271 . . . . 0.0 110.527 177.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.84 -37.27 85.77 Favored 'General case' 0 N--CA 1.441 -0.877 0 O-C-N 121.274 -0.891 . . . . 0.0 112.262 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.92 82.47 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.459 -0.776 . . . . 0.0 110.329 174.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -60.21 -43.3 96.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 126.204 1.802 . . . . 0.0 110.006 175.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -61.84 -50.5 72.03 Favored 'General case' 0 C--O 1.222 -0.351 0 C-N-CA 124.144 0.978 . . . . 0.0 109.143 174.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 18.8 t -57.72 -33.41 45.11 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 O-C-N 121.021 -1.049 . . . . 0.0 111.718 177.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.68 73.58 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 119.4 1.0 . . . . 0.0 110.731 173.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.44 -42.25 96.09 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 121.512 -0.743 . . . . 0.0 109.035 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -63.68 -32.56 74.09 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 126.224 1.81 . . . . 0.0 110.5 174.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.26 -49.24 72.63 Favored 'General case' 0 C--O 1.23 0.062 0 CA-C-N 120.125 1.33 . . . . 0.0 109.571 176.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 tttp -61.6 -52.56 63.87 Favored 'General case' 0 C--O 1.219 -0.502 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 176.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.65 -44.1 72.95 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 123.929 0.892 . . . . 0.0 111.657 -176.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.02 70.22 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 124.131 0.973 . . . . 0.0 109.463 175.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -41.63 89.37 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 118.843 0.747 . . . . 0.0 112.114 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -57.16 -50.9 71.4 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.956 2.102 . . . . 0.0 109.467 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -63.77 -40.59 97.06 Favored 'General case' 0 N--CA 1.442 -0.844 0 C-N-CA 125.193 1.397 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -64.9 -40.64 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 126.952 2.101 . . . . 0.0 110.501 175.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.78 -46.45 82.02 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 119.089 0.859 . . . . 0.0 109.954 177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.74 -48.66 76.13 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 118.5 -0.762 . . . . 0.0 110.26 175.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -48.92 -42.47 37.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 126.417 1.887 . . . . 0.0 111.527 174.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.33 -52.95 57.53 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -75.95 -44.51 39.64 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -175.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.7 -40.31 72.23 Favored 'General case' 0 N--CA 1.444 -0.745 0 C-N-CA 125.229 1.411 . . . . 0.0 111.752 -177.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.58 80.25 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.833 0.742 . . . . 0.0 109.89 174.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.04 73.64 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.878 0.871 . . . . 0.0 111.644 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -73.09 -40.46 64.97 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 127.73 2.412 . . . . 0.0 110.217 173.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.59 -30.84 67.52 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 120.163 1.347 . . . . 0.0 110.397 174.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 69.8 t -75.94 -64.93 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 124.307 1.043 . . . . 0.0 108.982 173.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.55 -57.68 11.3 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 125.833 1.653 . . . . 0.0 111.48 -173.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -90.01 47.27 1.43 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.994 2.117 . . . . 0.0 106.534 173.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 O-C-N 120.711 -1.243 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 C--O 1.206 -1.185 0 CA-C-O 115.736 -2.078 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.4 t -52.98 -28.43 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 123.05 2.659 . . . . 0.0 112.47 -170.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.58 -65.67 0.64 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 119.087 0.858 . . . . 0.0 110.203 173.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.1 m -68.72 -35.6 77.35 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -61.83 -39.74 92.85 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.81 1.644 . . . . 0.0 111.767 174.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.77 -42.65 85.76 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 118.859 0.754 . . . . 0.0 109.928 174.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -56.0 -59.23 5.2 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.36 -37.99 73.47 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.181 0.992 . . . . 0.0 111.615 -175.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.86 94.18 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 118.769 0.713 . . . . 0.0 111.508 174.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.79 -35.97 64.99 Favored 'General case' 0 CA--C 1.531 0.218 0 O-C-N 121.538 -0.726 . . . . 0.0 111.124 177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -62.39 -39.07 92.03 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.671 1.589 . . . . 0.0 109.962 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.46 -56.71 15.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 125.414 1.485 . . . . 0.0 110.187 174.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.8 t -57.15 -37.83 57.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 123.59 0.756 . . . . 0.0 111.005 176.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.97 -49.0 74.25 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.091 0.956 . . . . 0.0 111.06 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.29 98.87 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 119.064 0.847 . . . . 0.0 110.061 174.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 -65.5 -17.5 64.6 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.243 1.017 . . . . 0.0 112.411 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.5 -50.05 68.92 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 119.93 1.241 . . . . 0.0 108.213 173.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -59.84 -59.97 4.59 Favored 'General case' 0 CA--C 1.51 -0.558 0 C-N-CA 124.936 1.294 . . . . 0.0 108.641 175.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.47 -37.11 64.85 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -176.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.51 -51.16 54.27 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 118.183 -0.913 . . . . 0.0 109.752 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.29 -37.1 74.35 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 119.96 1.254 . . . . 0.0 111.675 178.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -60.3 -45.18 94.27 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.48 1.512 . . . . 0.0 110.713 173.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -69.98 -40.93 75.06 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.825 1.25 . . . . 0.0 110.81 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.29 -37.1 72.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 125.692 1.597 . . . . 0.0 109.495 174.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.01 -46.42 81.42 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 119.514 1.052 . . . . 0.0 109.684 173.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.27 -25.35 68.02 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.375 -0.828 . . . . 0.0 112.805 175.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -75.34 -39.83 58.93 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 126.151 1.78 . . . . 0.0 109.2 174.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.4 98.92 Favored 'General case' 0 C--O 1.233 0.188 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 173.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.5 tttp -56.34 -54.76 41.7 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 124.484 1.114 . . . . 0.0 108.881 173.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.12 -40.59 67.5 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.5 1.12 . . . . 0.0 112.406 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -51.26 65.08 Favored 'General case' 0 CA--C 1.529 0.168 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.61 -35.21 73.88 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.594 1.158 . . . . 0.0 112.31 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -68.02 -42.89 79.97 Favored 'General case' 0 N--CA 1.446 -0.659 0 C-N-CA 126.664 1.986 . . . . 0.0 109.602 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.01 -38.91 92.8 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.693 0.679 . . . . 0.0 110.664 174.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 75.7 t -57.67 -56.57 14.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.129 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 174.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.96 -52.97 58.99 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.038 1.335 . . . . 0.0 110.748 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 54.3 mtp180 -72.24 2.28 6.26 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.328 -0.858 . . . . 0.0 112.815 178.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 120.368 1.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 CA--C 1.492 -1.278 0 CA-C-O 116.55 -1.69 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.8 t -53.26 -31.54 18.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 120.721 1.601 . . . . 0.0 112.31 -169.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.32 -58.33 6.81 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 119.532 1.06 . . . . 0.0 110.577 173.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -69.13 -45.09 70.99 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -52.16 -54.23 33.33 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.468 1.507 . . . . 0.0 109.934 173.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.86 -33.33 70.33 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 119.112 0.869 . . . . 0.0 112.114 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -60.84 -59.11 5.9 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.22 -37.34 74.66 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-O 118.629 -0.7 . . . . 0.0 111.386 177.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.81 96.71 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.394 1.078 . . . . 0.0 111.832 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.31 91.4 Favored 'General case' 0 C--N 1.337 0.039 0 O-C-N 121.189 -0.944 . . . . 0.0 110.056 174.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -65.99 -28.8 69.16 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.863 0.865 . . . . 0.0 111.138 174.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.12 -52.61 26.47 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.512 -1.367 . . . . 0.0 109.864 174.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.63 -32.96 43.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.492 1.117 . . . . 0.0 110.304 174.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -56.01 18.43 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.884 1.22 . . . . 0.0 110.625 174.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.0 73.66 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.859 0.864 . . . . 0.0 111.297 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -66.59 -39.29 88.36 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 125.362 1.465 . . . . 0.0 112.829 173.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.16 -34.09 75.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 119.554 1.07 . . . . 0.0 110.957 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? -62.07 -57.31 12.06 Favored 'General case' 0 CA--C 1.522 -0.13 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 173.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -53.08 -36.68 60.94 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.138 0.975 . . . . 0.0 112.289 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.41 -46.94 74.89 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.905 1.282 . . . . 0.0 110.665 176.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -35.29 79.86 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 118.98 0.809 . . . . 0.0 111.141 177.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -66.22 -35.44 80.45 Favored 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 124.79 1.236 . . . . 0.0 111.533 174.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.7 tt -66.71 -52.31 46.0 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.832 1.653 . . . . 0.0 109.542 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.8 t -54.0 -40.37 45.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 126.215 1.806 . . . . 0.0 110.351 173.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.21 -47.16 83.69 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 119.419 1.009 . . . . 0.0 111.078 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.59 98.9 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 121.729 -0.607 . . . . 0.0 110.867 175.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -60.62 -27.36 67.71 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 125.157 1.383 . . . . 0.0 113.224 174.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.28 -40.96 98.84 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.498 1.045 . . . . 0.0 109.273 174.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -64.08 -56.26 16.25 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.25 -38.58 58.55 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.825 0.85 . . . . 0.0 112.59 -177.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.42 -47.25 64.71 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.304 0.642 . . . . 0.0 110.685 176.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.66 -39.99 86.25 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.77 0.828 . . . . 0.0 111.124 177.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.54 -57.41 12.84 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 127.245 2.218 . . . . 0.0 108.235 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -54.66 -38.62 67.14 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 119.061 0.846 . . . . 0.0 111.826 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.6 t -61.61 -55.77 22.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 123.792 0.837 . . . . 0.0 109.67 174.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.58 -30.2 71.22 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.994 0.918 . . . . 0.0 112.686 -177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.6 mmt-85 -76.46 -1.45 27.21 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.44 1.096 . . . . 0.0 111.362 173.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 O-C-N 120.505 -1.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 CA--C 1.497 -1.074 0 CA-C-O 116.27 -1.824 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 60.9 t -48.15 -42.25 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 CA-C-N 121.149 1.795 . . . . 0.0 112.191 -168.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.8 -60.72 3.26 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 119.341 0.973 . . . . 0.0 112.234 173.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.1 t -62.12 -52.38 64.08 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.413 0.685 . . . . 0.0 110.598 -179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -51.62 -41.61 61.39 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 126.812 2.045 . . . . 0.0 111.529 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.15 -41.86 80.97 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 123.897 0.879 . . . . 0.0 109.728 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -60.96 -55.98 26.49 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 176.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.34 -43.64 67.86 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.749 1.22 . . . . 0.0 109.976 -178.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.46 -36.17 75.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.32 -42.29 54.9 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.284 0.634 . . . . 0.0 110.748 175.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -60.82 -38.93 87.14 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.336 1.854 . . . . 0.0 111.222 177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.56 -54.52 45.6 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 126.326 1.851 . . . . 0.0 108.706 174.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.0 t -58.92 -34.35 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 C-N-CA 124.1 0.96 . . . . 0.0 111.802 175.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -49.36 69.65 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 119.742 1.156 . . . . 0.0 110.698 176.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -37.88 88.96 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 122.076 0.941 . . . . 0.0 110.747 175.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -72.58 -19.7 61.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.435 1.094 . . . . 0.0 111.481 178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.12 -37.18 83.43 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 120.271 1.396 . . . . 0.0 108.83 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.42 -52.1 64.91 Favored 'General case' 0 CA--C 1.511 -0.548 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.88 -46.11 60.27 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.044 0.938 . . . . 0.0 111.313 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.89 71.65 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 125.024 1.33 . . . . 0.0 110.554 177.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.2 75.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.036 0.535 . . . . 0.0 112.079 178.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -67.08 -45.26 77.86 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.614 1.965 . . . . 0.0 110.924 173.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.03 -45.38 93.82 Favored 'General case' 0 N--CA 1.445 -0.688 0 C-N-CA 124.688 1.195 . . . . 0.0 109.591 175.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 18.4 t -60.98 -38.28 79.07 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 C-N-CA 124.853 1.261 . . . . 0.0 110.779 174.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.95 -47.47 77.53 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.371 1.442 . . . . 0.0 111.061 176.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.61 92.63 Favored 'General case' 0 C--O 1.225 -0.224 0 C-N-CA 122.816 0.446 . . . . 0.0 110.264 176.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -57.63 -40.35 79.01 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 125.741 1.616 . . . . 0.0 110.667 175.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.69 -45.32 93.3 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.414 0.686 . . . . 0.0 109.659 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -62.37 1.9 Allowed 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 174.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.6 -42.73 64.82 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.014 1.725 . . . . 0.0 112.761 -174.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.11 -52.53 64.97 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.383 0.538 . . . . 0.0 110.429 174.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.72 90.27 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 123.548 0.739 . . . . 0.0 110.869 -178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -56.78 -51.2 69.83 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 127.356 2.262 . . . . 0.0 110.279 175.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.34 -30.89 71.94 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.622 0.769 . . . . 0.0 111.638 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.3 -48.86 40.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-N 119.404 1.002 . . . . 0.0 109.495 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.65 -63.22 1.34 Allowed 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 124.795 1.238 . . . . 0.0 110.412 -176.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -145.64 77.87 1.52 Allowed 'General case' 0 C--O 1.235 0.296 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 175.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 122.047 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 . . . . . 0 C--O 1.205 -1.243 0 CA-C-O 115.756 -2.069 . . . . 0.0 110.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.6 t -54.35 -28.33 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-N 122.287 2.312 . . . . 0.0 112.535 -172.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.17 -60.93 2.33 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.94 1.246 . . . . 0.0 110.541 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 t -60.78 -51.53 68.96 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 122.984 0.514 . . . . 0.0 110.28 177.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.13 -35.56 71.67 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.317 1.447 . . . . 0.0 112.863 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.15 -34.41 59.39 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 120.128 1.331 . . . . 0.0 111.49 173.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.6 tptp -59.82 -52.84 63.71 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 107.697 -1.223 . . . . 0.0 107.697 173.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.88 -37.5 66.36 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 125.363 1.465 . . . . 0.0 110.884 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.64 -39.76 95.16 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 119.81 1.187 . . . . 0.0 111.375 174.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.76 76.73 Favored 'General case' 0 CA--C 1.529 0.149 0 O-C-N 120.794 -1.192 . . . . 0.0 109.93 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.99 -31.58 72.57 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 123.905 0.882 . . . . 0.0 110.686 173.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.72 -48.09 70.3 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 124.178 0.991 . . . . 0.0 108.63 173.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.9 t -59.06 -32.26 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 125.308 1.443 . . . . 0.0 111.603 174.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.15 -50.13 50.64 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 124.449 1.1 . . . . 0.0 110.296 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.9 71.11 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.513 0.725 . . . . 0.0 109.776 175.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -68.55 -37.81 80.26 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 125.952 1.701 . . . . 0.0 113.103 173.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.44 87.38 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 120.16 1.346 . . . . 0.0 109.624 176.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -65.29 -66.23 0.57 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.827 0.851 . . . . 0.0 110.241 174.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.17 -41.76 68.87 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -173.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.13 -37.09 69.52 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 118.351 -0.833 . . . . 0.0 110.437 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.58 -38.91 81.07 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.006 0.821 . . . . 0.0 110.446 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -60.64 -43.88 97.05 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 125.657 1.583 . . . . 0.0 110.006 173.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 tt -66.47 -46.84 74.99 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.829 0.852 . . . . 0.0 110.243 178.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.11 -36.45 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.585 1.154 . . . . 0.0 110.899 174.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.02 -52.27 63.57 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 118.786 0.721 . . . . 0.0 110.441 176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.91 -37.87 83.77 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.99 0.916 . . . . 0.0 111.556 176.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -57.74 -33.4 68.41 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 125.075 1.35 . . . . 0.0 110.937 175.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.99 -46.72 89.62 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 119.388 0.995 . . . . 0.0 109.849 174.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -59.46 -58.07 10.21 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 178.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.1 -38.05 64.93 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 123.983 0.913 . . . . 0.0 112.033 -178.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.29 -49.26 70.17 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.327 0.651 . . . . 0.0 110.354 176.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.42 -45.13 84.97 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 123.439 0.696 . . . . 0.0 110.3 178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -58.45 -46.03 87.38 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 125.678 1.591 . . . . 0.0 110.661 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.94 70.13 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.93 0.786 . . . . 0.0 111.815 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.2 t -67.3 -53.47 32.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 119.946 1.248 . . . . 0.0 108.068 173.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.24 -29.98 70.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.434 1.094 . . . . 0.0 112.275 -177.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -66.93 -12.14 58.6 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.165 0.986 . . . . 0.0 112.37 174.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 120.396 1.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 . . . . . 0 CA--C 1.494 -1.178 0 CA-C-O 116.137 -1.887 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 84.0 t -53.37 -31.11 18.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 121.459 1.936 . . . . 0.0 111.563 -172.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.67 -61.98 2.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 119.477 1.035 . . . . 0.0 110.661 173.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -70.76 -46.16 63.46 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-O 118.247 -0.883 . . . . 0.0 112.677 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.78 -34.0 62.08 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 120.5 1.5 . . . . 0.0 112.822 174.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.09 -38.0 61.35 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 120.425 1.466 . . . . 0.0 111.776 174.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 tmtt? -65.47 -47.61 75.49 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.75 -38.49 75.47 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 125.528 1.531 . . . . 0.0 110.623 173.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.67 -34.63 77.5 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 119.443 1.02 . . . . 0.0 112.096 174.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.38 -41.76 72.62 Favored 'General case' 0 CA--C 1.532 0.269 0 O-C-N 121.136 -0.977 . . . . 0.0 110.121 174.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -62.07 -33.74 74.97 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.291 1.837 . . . . 0.0 111.329 176.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.39 -59.13 3.96 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 126.08 1.752 . . . . 0.0 108.87 173.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -55.35 -33.18 30.78 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 125.098 1.359 . . . . 0.0 111.72 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.17 -59.64 4.18 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.173 0.989 . . . . 0.0 109.65 173.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.4 -30.39 68.42 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.345 0.593 . . . . 0.0 112.21 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -75.77 -26.04 56.99 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 125.585 1.554 . . . . 0.0 111.007 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.59 -47.18 84.93 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 119.922 1.237 . . . . 0.0 108.19 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -55.76 -59.61 4.62 Favored 'General case' 0 C--N 1.34 0.19 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 174.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.78 -42.58 58.06 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.105 0.962 . . . . 0.0 112.397 -177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.24 -48.97 76.0 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.998 0.919 . . . . 0.0 110.54 177.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.64 -36.73 84.77 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 119.277 0.944 . . . . 0.0 111.679 179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -62.65 -45.29 93.49 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 126.54 1.936 . . . . 0.0 109.888 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.31 -43.82 85.15 Favored 'General case' 0 C--O 1.219 -0.527 0 C-N-CA 125.183 1.393 . . . . 0.0 110.697 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 43.6 t -58.94 -36.88 64.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 125.321 1.449 . . . . 0.0 110.454 174.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.71 -41.08 84.14 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 119.378 0.99 . . . . 0.0 111.334 174.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.7 -39.7 88.17 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.484 0.714 . . . . 0.0 111.246 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.0 m-20 -60.06 -44.89 94.4 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 127.603 2.361 . . . . 0.0 110.366 174.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.83 -46.28 78.16 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 122.729 0.412 . . . . 0.0 110.157 175.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -61.54 -54.78 38.68 Favored 'General case' 0 CA--C 1.516 -0.333 0 C-N-CA 123.642 0.777 . . . . 0.0 110.653 178.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.45 -40.84 72.08 Favored 'General case' 0 N--CA 1.441 -0.925 0 C-N-CA 125.009 1.324 . . . . 0.0 111.358 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.13 -44.79 83.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.052 0.941 . . . . 0.0 110.82 174.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.31 83.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.174 0.59 . . . . 0.0 109.875 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -70.3 -32.08 69.69 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 126.548 1.939 . . . . 0.0 112.596 174.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.12 -32.02 72.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 119.657 1.117 . . . . 0.0 109.778 174.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 70.7 t -75.98 -66.13 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 173.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.63 -26.79 68.8 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.244 1.418 . . . . 0.0 114.768 -173.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 mtp-105 -133.93 29.38 3.78 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.9 1.28 . . . . 0.0 109.354 -177.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 O-C-N 121.499 -0.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 . . . . . 0 C--O 1.209 -1.051 0 CA-C-O 116.46 -1.733 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.5 t -50.28 -29.2 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 121.803 2.092 . . . . 0.0 112.205 -173.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.15 -65.86 0.62 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 119.419 1.009 . . . . 0.0 110.769 173.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 32.1 m -67.86 -44.8 76.28 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.902 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -52.96 -39.17 62.74 Favored 'General case' 0 C--O 1.224 -0.242 0 C-N-CA 126.0 1.72 . . . . 0.0 111.539 174.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.83 96.14 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 119.899 1.227 . . . . 0.0 111.146 175.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -65.77 -48.67 71.04 Favored 'General case' 0 CA--C 1.519 -0.249 0 O-C-N 121.478 -0.764 . . . . 0.0 109.02 177.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.16 -34.18 63.59 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.1 1.36 . . . . 0.0 111.586 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.8 87.75 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.592 1.157 . . . . 0.0 111.127 174.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.61 90.8 Favored 'General case' 0 CA--C 1.53 0.206 0 O-C-N 121.427 -0.796 . . . . 0.0 109.379 173.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -63.87 -36.11 82.83 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.683 1.593 . . . . 0.0 111.642 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -62.9 -54.3 40.73 Favored 'General case' 0 CA--C 1.518 -0.285 0 C-N-CA 124.932 1.293 . . . . 0.0 109.147 174.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.46 -32.0 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 C-N-CA 124.332 1.053 . . . . 0.0 110.658 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -51.56 62.8 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 119.503 1.047 . . . . 0.0 110.16 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.81 -43.97 94.23 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.649 0.78 . . . . 0.0 110.306 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -62.15 -42.43 99.24 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 125.726 1.61 . . . . 0.0 113.176 173.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.16 -40.15 95.01 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 119.494 1.043 . . . . 0.0 110.796 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -63.58 -59.6 4.41 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -50.21 -39.82 45.47 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 124.847 1.259 . . . . 0.0 112.221 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.54 -47.17 79.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.769 1.228 . . . . 0.0 111.349 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.44 -36.61 81.55 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.699 0.761 . . . . 0.0 110.975 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -61.22 -43.17 99.3 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 124.885 1.274 . . . . 0.0 110.0 173.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 tt -65.24 -46.59 79.98 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 125.274 1.43 . . . . 0.0 110.061 178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 25.6 t -55.05 -44.03 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 C-N-CA 124.764 1.226 . . . . 0.0 111.306 174.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.2 -52.77 62.47 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 119.706 1.139 . . . . 0.0 110.717 179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.78 -27.49 68.78 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.575 -0.703 . . . . 0.0 111.509 175.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.8 m-20 -73.97 -24.71 59.65 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 124.669 1.188 . . . . 0.0 112.242 174.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.63 77.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 120.367 1.44 . . . . 0.0 108.712 173.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -60.75 -54.96 38.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 107.685 -1.228 . . . . 0.0 107.685 173.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.58 67.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 124.171 0.988 . . . . 0.0 112.143 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.33 -38.38 87.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 119.025 0.829 . . . . 0.0 110.791 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.39 -44.94 85.92 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 121.418 -0.802 . . . . 0.0 110.406 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -59.51 -43.52 93.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.907 1.683 . . . . 0.0 110.653 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.02 93.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.642 1.177 . . . . 0.0 110.348 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.62 -39.49 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 176.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.49 -33.33 74.66 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.546 0.612 . . . . 0.0 111.876 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -72.91 -20.49 61.06 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 118.638 -0.696 . . . . 0.0 111.985 173.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 119.417 1.008 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 . . . . . 0 C--O 1.205 -1.261 0 CA-C-O 116.06 -1.924 . . . . 0.0 111.699 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 67.6 t -47.09 -34.12 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 CA-C-N 121.755 2.07 . . . . 0.0 113.219 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -66.29 0.56 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.244 0.929 . . . . 0.0 110.524 173.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 72.7 m -67.34 -38.19 84.47 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.777 -0.577 . . . . 0.0 112.302 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.87 -37.67 77.07 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.958 1.703 . . . . 0.0 110.627 173.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.44 91.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 120.143 1.338 . . . . 0.0 110.211 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -62.34 -55.33 29.12 Favored 'General case' 0 C--N 1.342 0.266 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 174.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -53.52 -37.5 62.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.787 1.235 . . . . 0.0 111.553 -177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.37 -50.69 64.59 Favored 'General case' 0 N--CA 1.434 -1.229 0 C-N-CA 124.818 1.247 . . . . 0.0 111.352 175.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.76 -38.43 87.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.198 0.908 . . . . 0.0 111.224 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -59.5 -44.02 93.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.743 1.617 . . . . 0.0 109.907 174.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.88 -44.54 76.79 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 123.753 0.821 . . . . 0.0 109.866 178.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.1 t -56.85 -34.94 45.01 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 O-C-N 120.949 -1.094 . . . . 0.0 110.679 174.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.14 82.16 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 119.905 1.229 . . . . 0.0 111.217 173.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.16 -42.41 94.86 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.255 0.622 . . . . 0.0 110.619 174.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -65.51 -34.93 79.41 Favored 'General case' 0 C--O 1.223 -0.313 0 C-N-CA 125.634 1.574 . . . . 0.0 111.285 177.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.87 97.67 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.34 0.973 . . . . 0.0 110.21 174.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -62.11 -54.37 42.18 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.07 -40.45 70.34 Favored 'General case' 0 N--CA 1.445 -0.677 0 C-N-CA 123.623 0.769 . . . . 0.0 111.915 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.89 -41.74 91.13 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.943 0.897 . . . . 0.0 110.927 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.31 98.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.915 0.486 . . . . 0.0 110.641 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.39 -40.26 93.72 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 126.172 1.789 . . . . 0.0 111.392 173.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.26 -53.21 59.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.701 0.8 . . . . 0.0 109.104 175.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.56 -35.51 63.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.133 0.973 . . . . 0.0 110.552 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -53.22 58.14 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.573 1.079 . . . . 0.0 110.93 176.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.06 -38.52 91.53 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.462 -0.774 . . . . 0.0 110.509 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -64.78 -22.31 66.96 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.15 0.98 . . . . 0.0 113.204 173.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.24 -50.15 66.91 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 107.766 -1.198 . . . . 0.0 107.766 173.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -54.49 46.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.52 1.128 . . . . 0.0 108.982 175.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.92 -42.6 76.34 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.365 1.066 . . . . 0.0 112.227 -175.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.22 -40.61 77.85 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 119.228 0.922 . . . . 0.0 111.057 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.07 -43.74 95.25 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 118.654 0.661 . . . . 0.0 110.273 174.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -60.11 -49.22 78.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 125.846 1.659 . . . . 0.0 109.553 174.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.99 -36.99 73.41 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.485 1.114 . . . . 0.0 111.302 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.9 t -66.3 -44.83 90.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.496 0.718 . . . . 0.0 109.478 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.75 -28.87 70.27 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 118.782 0.719 . . . . 0.0 112.005 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -81.53 -3.12 52.27 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.402 1.081 . . . . 0.0 111.546 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 120.703 1.592 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_