data_2me0_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 2me0 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.379 0.609 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.88 30.78 7.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.455 2.702 . . . . 0.0 111.087 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -93.03 167.47 11.77 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 167.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.08 162.47 23.45 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 129.282 3.033 . . . . 0.0 106.899 -172.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 p -57.23 -25.47 59.16 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.261 0.482 . . . . 0.0 111.142 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -79.44 -42.75 24.7 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.833 0.825 . . . . 0.0 108.869 -166.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -76.98 -26.29 53.75 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.62 1.968 . . . . 0.0 110.852 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -15.86 61.18 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 117.232 -1.366 . . . . 0.0 112.411 177.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.68 -52.51 64.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -167.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.16 -37.67 86.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.706 2.402 . . . . 0.0 110.977 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.76 -26.43 66.97 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 128.411 2.685 . . . . 0.0 111.827 -177.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -96.35 -34.78 11.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 125.549 1.539 . . . . 0.0 110.297 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -55.79 -35.55 66.41 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 125.767 1.627 . . . . 0.0 110.536 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.85 -26.98 66.27 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.823 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.57 -20.73 65.89 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.521 1.51 . . . . 0.0 112.311 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -84.85 -19.29 32.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 118.538 -0.744 . . . . 0.0 110.767 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -81.67 -48.55 11.55 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.38 0.991 . . . . 0.0 109.883 172.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.63 158.63 41.42 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.769 1.228 . . . . 0.0 109.232 -166.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 4.47 49.24 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.645 1.111 . . . . 0.0 112.231 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -153.43 147.62 25.73 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 119.662 -1.899 . . . . 0.0 108.775 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 mt -130.09 98.11 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -172.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.86 171.74 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.832 1.653 . . . . 0.0 111.015 173.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.28 -46.09 91.04 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.923 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 m -61.44 -34.15 74.92 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.55 1.14 . . . . 0.0 111.665 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -79.49 -43.96 22.18 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -174.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -35.26 74.98 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 120.775 -1.203 . . . . 0.0 110.647 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.3 p -74.57 -10.45 59.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 117.348 -1.31 . . . . 0.0 111.992 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -67.78 -70.16 0.27 Allowed 'General case' 0 C--N 1.345 0.372 0 CA-C-N 120.458 1.481 . . . . 0.0 109.013 174.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mt -54.15 -42.43 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 119.887 1.222 . . . . 0.0 111.271 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.06 -36.29 67.9 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.863 0.756 . . . . 0.0 111.541 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -94.9 -3.51 48.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.44 1.896 . . . . 0.0 111.214 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.45 -27.8 27.27 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 120.216 -1.553 . . . . 0.0 109.038 -173.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.37 -88.45 0.62 Allowed 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.004 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.96 10.92 0.14 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.965 1.706 . . . . 0.0 111.497 -172.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -85.78 175.0 8.94 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.52 -1.363 . . . . 0.0 110.517 -162.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.61 116.43 26.6 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.586 1.555 . . . . 0.0 107.638 -173.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -56.56 -24.19 45.46 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.099 0.863 . . . . 0.0 112.259 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.0 t -57.67 -53.83 39.43 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 O-C-N 121.178 -0.951 . . . . 0.0 109.466 170.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.43 78.56 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.866 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.5 t -54.16 -38.71 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 119.014 0.825 . . . . 0.0 109.886 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -49.88 -49.93 47.66 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.607 1.163 . . . . 0.0 111.166 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.26 -21.75 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 124.275 1.03 . . . . 0.0 110.796 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 17.4 t90 -58.4 -38.89 78.3 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.51 -1.368 . . . . 0.0 109.186 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -64.36 -21.33 66.59 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -12.06 41.97 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 120.205 1.366 . . . . 0.0 111.342 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -91.86 -17.89 24.61 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.418 1.087 . . . . 0.0 112.478 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -167.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.232 0.141 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.58 101.24 2.93 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.499 1.919 . . . . 0.0 106.541 166.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -129.24 -164.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 126.841 2.056 . . . . 0.0 108.005 169.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.3 p -140.47 157.49 45.43 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.957 2.103 . . . . 0.0 106.083 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -29.43 68.6 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.578 1.536 . . . . 0.0 111.792 174.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -23.62 51.15 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.301 1.84 . . . . 0.0 112.465 172.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -117.65 0.25 12.01 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.968 1.707 . . . . 0.0 111.279 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.8 mt -101.08 -4.13 27.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.892 1.277 . . . . 0.0 110.545 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.54 -59.66 2.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 122.517 1.151 . . . . 0.0 109.521 -163.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -69.53 -37.22 77.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 126.911 2.084 . . . . 0.0 109.478 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.1 -36.86 84.99 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 126.211 1.805 . . . . 0.0 110.749 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -82.14 -30.1 31.28 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.435 172.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -57.05 -43.83 82.37 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -33.94 70.32 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.316 1.847 . . . . 0.0 112.908 176.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.17 4.67 33.42 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 118.692 0.678 . . . . 0.0 112.757 -171.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -105.97 -58.64 1.88 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.821 0.848 . . . . 0.0 109.885 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.6 m -67.69 -20.3 65.27 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.094 1.357 . . . . 0.0 112.927 -174.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.34 125.27 9.87 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -170.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.93 8.13 33.83 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.613 0.765 . . . . 0.0 112.694 -161.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -149.48 141.21 23.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 tp -101.31 108.28 19.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m -79.32 176.22 9.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -42.28 89.02 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.588 -0.695 . . . . 0.0 112.013 -167.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 t -64.65 -41.59 96.02 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.609 0.64 . . . . 0.0 110.137 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -70.74 -42.17 70.87 Favored 'General case' 0 CA--C 1.521 -0.167 0 O-C-N 121.114 -0.991 . . . . 0.0 109.257 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.87 -32.04 73.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 122.126 -0.359 . . . . 0.0 111.319 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -80.23 -18.41 49.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.301 -1.333 . . . . 0.0 112.577 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.34 -59.7 4.93 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.015 1.279 . . . . 0.0 109.91 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mp -50.92 -37.06 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 C-N-CA 123.301 0.64 . . . . 0.0 111.787 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.18 -22.21 62.66 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.652 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -131.62 -7.15 3.66 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.806 1.185 . . . . 0.0 113.819 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.03 -32.01 27.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 mt -110.29 -89.15 0.49 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.837 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.35 1.79 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.387 1.875 . . . . 0.0 113.606 -165.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.72 -173.39 4.62 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -169.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 t -144.43 152.34 40.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.025 -1.047 . . . . 0.0 108.86 173.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.78 -36.85 84.46 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -161.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.12 -42.83 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 120.381 1.446 . . . . 0.0 109.276 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -40.68 78.31 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.027 0.531 . . . . 0.0 110.18 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -69.22 -48.32 69.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 126.196 1.798 . . . . 0.0 108.47 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -46.22 -42.91 14.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.431 1.492 . . . . 0.0 112.973 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 mt -79.84 -21.55 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.587 -0.696 . . . . 0.0 111.474 -176.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -62.6 -30.33 71.26 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 120.164 -1.585 . . . . 0.0 110.097 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -62.07 -35.14 77.75 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.587 0.755 . . . . 0.0 112.201 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -37.43 74.1 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.74 1.216 . . . . 0.0 110.173 174.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -78.48 -46.59 19.31 Favored 'General case' 0 C--O 1.23 0.056 0 O-C-N 121.721 -0.612 . . . . 0.0 110.16 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.275 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.42 14.58 20.34 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 124.487 1.115 . . . . 0.0 111.912 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -84.45 175.41 9.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.677 0.751 . . . . 0.0 109.094 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.477 ' H ' ' HB2' ' A' ' 18' ' ' GLN . 60.4 p -136.7 168.57 19.26 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.818 2.047 . . . . 0.0 108.398 -171.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -40.2 63.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.909 0.883 . . . . 0.0 111.345 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.45 -37.67 68.49 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.826 0.739 . . . . 0.0 111.13 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HB2' ' H ' ' A' ' 15' ' ' THR . 38.6 mt-30 -70.6 0.69 6.35 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.334 -0.854 . . . . 0.0 112.535 -176.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.0 mt -113.56 0.06 14.53 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.896 1.678 . . . . 0.0 111.99 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.69 -27.24 63.85 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.592 1.157 . . . . 0.0 112.706 -168.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -106.43 -26.2 11.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.604 1.562 . . . . 0.0 109.693 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.0 tp -69.27 -55.37 10.71 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 126.553 1.941 . . . . 0.0 108.511 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.95 -37.04 85.48 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.715 0.689 . . . . 0.0 111.017 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.18 -58.24 9.06 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 125.673 1.589 . . . . 0.0 110.541 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.67 -42.25 99.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.0 -10.96 44.44 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -175.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.06 -49.11 75.84 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.238 0.926 . . . . 0.0 110.2 169.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.9 m -73.98 -24.17 59.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.566 1.147 . . . . 0.0 112.029 -174.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 117.33 6.96 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 124.303 1.041 . . . . 0.0 110.086 -166.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -71.15 3.62 3.39 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -155.11 171.74 19.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 120.468 1.485 . . . . 0.0 108.51 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -113.09 112.97 24.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.012 1.725 . . . . 0.0 108.543 -174.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 m -72.19 40.96 0.08 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.506 1.922 . . . . 0.0 113.27 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.28 -67.02 0.18 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 127.856 2.462 . . . . 0.0 114.564 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -55.61 -32.66 63.31 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.161 1.346 . . . . 0.0 109.932 171.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -62.34 -27.21 68.9 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.349 1.459 . . . . 0.0 110.176 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -68.46 -40.61 81.0 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.8 -0.563 . . . . 0.0 111.672 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -20.29 65.98 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.36 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -63.08 -61.13 2.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 118.685 0.675 . . . . 0.0 109.923 -171.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -63.36 -40.22 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.62 -16.71 63.98 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -108.95 -7.07 15.47 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.414 1.085 . . . . 0.0 112.102 172.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.06 -37.24 12.27 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 121.182 1.81 . . . . 0.0 110.313 -171.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.3 mt -108.02 -85.72 0.52 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -163.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 174.94 28.89 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.317 3.047 . . . . 0.0 110.818 -173.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -94.68 -179.05 4.74 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.7 m -127.46 134.43 49.84 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 124.658 1.183 . . . . 0.0 108.802 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -50.18 -48.24 54.2 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.427 1.091 . . . . 0.0 112.073 -172.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.68 -40.72 83.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 123.661 0.784 . . . . 0.0 110.574 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -40.36 91.72 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.77 -0.581 . . . . 0.0 110.261 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.4 t -63.88 -38.96 83.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -57.21 -7.6 0.57 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.598 1.959 . . . . 0.0 113.307 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.0 mt -116.81 -29.72 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 119.407 1.003 . . . . 0.0 110.939 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -55.38 -43.34 75.07 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 120.015 1.279 . . . . 0.0 110.118 -174.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -81.47 -28.64 34.03 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 121.578 -0.049 . . . . 0.0 111.016 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.6 -38.38 71.96 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.125 1.37 . . . . 0.0 110.221 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -69.25 -4.73 19.0 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.864 1.265 . . . . 0.0 112.909 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 . . . . . 0 CA--C 1.533 0.308 0 C-N-CA 125.889 1.676 . . . . 0.0 109.881 176.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.236 0.375 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.2 57.81 3.52 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.501 1.12 . . . . 0.0 109.128 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -131.66 160.33 35.71 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.635 0.774 . . . . 0.0 109.674 165.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.0 p -107.94 165.3 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.363 1.465 . . . . 0.0 110.046 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.48 -16.41 63.88 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -85.47 -43.79 13.28 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.698 1.199 . . . . 0.0 110.263 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -66.08 -29.63 70.0 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.811 -0.555 . . . . 0.0 111.374 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 mt -78.69 -17.13 56.4 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.831 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.46 -46.42 76.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 119.023 0.828 . . . . 0.0 109.408 -165.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -66.41 -42.9 87.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.792 2.037 . . . . 0.0 110.555 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.32 -44.94 92.52 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.579 1.151 . . . . 0.0 110.569 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -73.96 -33.17 63.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.484 0.713 . . . . 0.0 111.813 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -64.92 -61.11 2.37 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 124.794 1.238 . . . . 0.0 109.006 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.13 -14.67 26.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 117.474 -1.25 . . . . 0.0 111.903 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -21.06 65.94 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 122.262 2.301 . . . . 0.0 112.278 171.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -66.58 -36.05 81.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.266 1.026 . . . . 0.0 110.738 169.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.8 -32.77 25.16 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.534 0.733 . . . . 0.0 111.738 -173.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HE3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -166.1 155.52 11.78 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.099 1.36 . . . . 0.0 109.139 -161.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 6.16 11.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -159.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 8.8 p90 -132.94 -163.86 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 127.284 2.234 . . . . 0.0 106.916 -174.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.451 HD12 ' HE3' ' A' ' 29' ' ' LYS . 1.7 tp -153.8 94.78 1.8 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 105.715 -1.958 . . . . 0.0 105.715 163.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -156.16 178.87 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 125.017 1.327 . . . . 0.0 109.994 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mp 58.39 -86.29 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 129.374 3.07 . . . . 0.0 111.402 -175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -97.2 -15.11 21.03 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.958 0.799 . . . . 0.0 109.279 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -97.67 -35.94 10.42 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 118.41 -0.805 . . . . 0.0 113.076 -155.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -58.66 -48.51 80.81 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 p -74.89 3.27 8.49 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.391 1.077 . . . . 0.0 112.784 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -78.23 -84.43 0.08 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 164.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mp -59.59 -38.04 73.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 118.66 0.663 . . . . 0.0 109.943 -171.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.86 -24.32 66.84 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 117.578 -1.201 . . . . 0.0 112.252 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -113.31 10.79 18.49 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.866 1.212 . . . . 0.0 110.796 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.87 -46.61 6.17 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 119.262 0.937 . . . . 0.0 108.957 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -117.96 -88.93 0.6 Allowed 'General case' 0 C--N 1.344 0.362 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.532 -166.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.45 39.43 0.24 Allowed 'General case' 0 C--O 1.239 0.537 0 C-N-CA 126.124 1.769 . . . . 0.0 110.717 -172.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mp -106.47 177.01 4.98 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.257 1.023 . . . . 0.0 109.017 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -142.22 133.08 25.71 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.247 1.419 . . . . 0.0 107.243 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -52.42 -36.35 54.15 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.788 0.835 . . . . 0.0 112.4 -173.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.97 -48.44 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.309 0.643 . . . . 0.0 110.076 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -39.56 91.69 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.615 0.643 . . . . 0.0 110.332 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.32 -33.07 58.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.077 1.351 . . . . 0.0 109.709 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -56.88 -44.1 81.94 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.093 -1.004 . . . . 0.0 110.953 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.4 mp -73.63 -22.36 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 118.38 0.536 . . . . 0.0 110.298 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -63.9 -34.22 77.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.322 -1.486 . . . . 0.0 110.074 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -60.71 -47.55 85.76 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.059 172.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -45.28 61.42 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.965 1.706 . . . . 0.0 109.992 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -63.53 -37.46 87.39 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.265 -0.897 . . . . 0.0 110.628 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 123.914 0.885 . . . . 0.0 112.981 176.262 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.237 0.439 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.16 55.91 0.67 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.146 1.378 . . . . 0.0 110.121 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -126.67 175.05 8.25 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.562 1.545 . . . . 0.0 108.506 167.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.3 p -111.28 172.44 6.88 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.966 1.306 . . . . 0.0 109.578 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -34.12 67.79 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.866 -1.146 . . . . 0.0 111.823 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.45 -47.46 73.07 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.351 1.06 . . . . 0.0 110.606 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.443 HE21 ' CD1' ' A' ' 46' ' ' LEU . 33.3 mt-30 -58.51 -33.1 69.47 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.121 0.486 . . . . 0.0 110.454 -178.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mp -71.08 19.92 0.05 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.784 2.033 . . . . 0.0 113.131 172.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.31 -61.47 1.93 Allowed 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 120.284 1.402 . . . . 0.0 108.804 162.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.35 -37.81 80.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 122.244 1.021 . . . . 0.0 109.072 -171.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.64 -25.17 67.24 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.925 1.29 . . . . 0.0 111.552 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -89.94 -30.35 17.89 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.053 0.941 . . . . 0.0 111.744 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -62.74 -53.32 56.23 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.0 0.63 3.34 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.328 1.451 . . . . 0.0 113.308 -177.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.96 -2.6 13.52 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.07 1.348 . . . . 0.0 112.634 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -98.07 -49.66 4.67 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.917 0.887 . . . . 0.0 109.759 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.3 m -71.38 -21.31 62.03 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.48 0.657 . . . . 0.0 110.257 -172.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.42 162.98 40.72 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 126.549 1.94 . . . . 0.0 108.76 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.41 13.94 13.65 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.125 0.57 . . . . 0.0 111.822 -176.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -153.41 112.41 3.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.792 -1.193 . . . . 0.0 108.016 -172.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -79.96 103.65 10.0 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 121.219 -0.925 . . . . 0.0 108.566 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.4 m -76.94 91.88 3.63 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.564 0.746 . . . . 0.0 109.379 172.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 44.64 -76.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 129.566 3.146 . . . . 0.0 115.985 170.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -50.26 -39.14 44.14 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.73 1.15 . . . . 0.0 110.617 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.06 -26.18 67.38 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.142 -0.973 . . . . 0.0 108.833 -175.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -72.43 -56.79 4.86 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.768 -1.207 . . . . 0.0 109.468 172.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.7 m -62.07 -18.48 60.82 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -65.01 -68.44 0.36 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.715 1.606 . . . . 0.0 109.36 -171.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mp -61.17 -30.71 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.78 -1.81 4.31 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.135 1.374 . . . . 0.0 114.485 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -129.63 -10.41 4.5 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 120.745 1.612 . . . . 0.0 112.559 163.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.47 -31.65 42.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -172.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.5 mt -109.11 -88.37 0.49 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 117.909 -1.043 . . . . 0.0 113.063 -168.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.78 41.29 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 1 C-N-CA 133.573 4.749 . . . . 0.0 107.976 -170.51 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.443 ' CD1' HE21 ' A' ' 18' ' ' GLN . 6.2 mp -119.26 166.99 12.3 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 119.766 -1.834 . . . . 0.0 109.07 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -133.42 140.33 47.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -54.31 -40.32 67.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.509 1.123 . . . . 0.0 111.498 -175.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 p -54.94 -39.63 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 C-N-CA 124.616 1.166 . . . . 0.0 111.851 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -38.39 40.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.469 0.577 . . . . 0.0 109.995 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.62 -39.16 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 123.828 0.851 . . . . 0.0 110.784 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -59.17 -26.61 64.93 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.74 1.154 . . . . 0.0 112.344 -177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.7 mt -85.05 -21.62 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.307 1.043 . . . . 0.0 110.289 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -59.32 -39.91 84.6 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 120.492 -1.38 . . . . 0.0 109.233 172.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -66.23 -37.5 85.68 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 119.572 -0.251 . . . . 0.0 110.856 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -40.67 63.91 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.231 1.012 . . . . 0.0 110.225 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -74.33 -52.81 11.14 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.029 0.932 . . . . 0.0 110.566 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 . . . . . 0 N--CA 1.47 0.542 0 O-C-N 121.037 -1.039 . . . . 0.0 113.496 -172.696 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.0 m . . . . . 0 C--O 1.234 0.264 0 CA-C-O 121.266 0.555 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.73 92.77 3.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.371 1.868 . . . . 0.0 106.539 169.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -124.08 -172.05 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 166.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.51 152.38 41.41 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.533 1.133 . . . . 0.0 109.017 -172.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -54.58 -4.35 0.06 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 128.312 2.645 . . . . 0.0 114.57 166.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -94.61 -24.84 17.03 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 168.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -100.81 -21.66 15.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 125.878 1.671 . . . . 0.0 111.407 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.6 mt -69.91 -16.94 63.3 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 116.727 -1.606 . . . . 0.0 112.669 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.0 -48.51 79.8 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 120.866 1.666 . . . . 0.0 110.598 -173.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -73.02 -29.49 63.05 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.853 1.261 . . . . 0.0 110.113 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.72 -57.16 8.7 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.924 1.29 . . . . 0.0 108.846 175.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -67.98 -23.8 65.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.591 1.556 . . . . 0.0 112.078 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.69 -58.14 7.09 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.77 -40.38 97.11 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.01 -18.4 60.41 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.282 -0.866 . . . . 0.0 113.133 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -73.44 -27.32 61.36 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 120.15 1.341 . . . . 0.0 111.521 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 m -110.94 -19.98 12.6 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.466 1.106 . . . . 0.0 111.05 -166.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.48 136.67 22.39 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 121.457 -0.777 . . . . 0.0 109.077 171.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.19 -9.93 59.69 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.764 0.826 . . . . 0.0 111.912 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -146.59 120.81 9.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.506 1.522 . . . . 0.0 108.319 -174.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.9 mt -84.35 117.19 23.44 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 126.422 1.889 . . . . 0.0 108.642 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 m -87.37 59.63 5.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.742 0.782 . . . . 0.0 112.458 -170.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tt 72.89 -56.0 0.67 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 128.635 2.774 . . . . 0.0 111.325 173.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -60.88 -40.57 93.53 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 126.177 1.791 . . . . 0.0 111.53 177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -80.62 -27.26 37.35 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.242 1.417 . . . . 0.0 109.1 -171.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -35.65 81.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.567 -0.708 . . . . 0.0 109.736 167.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -85.13 22.1 1.52 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.775 1.23 . . . . 0.0 110.978 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -88.55 -80.29 0.29 Allowed 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 161.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.7 mp -53.5 -44.91 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.815 0.846 . . . . 0.0 111.185 -167.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.12 -14.39 36.35 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -125.99 16.87 7.92 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.188 0.904 . . . . 0.0 110.98 175.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.0 -38.73 3.02 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.199 1.0 . . . . 0.0 112.035 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.7 mt -111.83 -89.73 0.51 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.475 1.034 . . . . 0.0 111.661 -174.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.96 31.59 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.703 2.401 . . . . 0.0 109.105 -166.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.01 138.19 51.44 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.8 m -86.46 140.69 29.72 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.524 -0.274 . . . . 0.0 111.653 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -44.11 -53.01 6.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.042 2.537 . . . . 0.0 111.532 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.5 -44.92 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 126.137 1.775 . . . . 0.0 110.641 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -45.96 69.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 122.957 0.503 . . . . 0.0 110.169 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.9 t -57.76 -34.65 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 124.039 0.935 . . . . 0.0 109.918 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -53.44 -39.43 64.42 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.019 -1.051 . . . . 0.0 111.041 174.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -79.1 -32.37 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 CA-C-O 116.91 -1.519 . . . . 0.0 111.266 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 24.0 t90 -51.33 -43.99 61.88 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 121.364 1.893 . . . . 0.0 108.899 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -65.98 -14.95 62.52 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -34.97 79.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 122.531 2.423 . . . . 0.0 110.043 169.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -76.6 -33.75 58.42 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.535 -0.728 . . . . 0.0 111.095 -167.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -166.738 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.16 38.64 1.93 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 127.167 2.187 . . . . 0.0 108.338 169.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -68.56 162.16 26.39 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.144 0.497 . . . . 0.0 109.898 168.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 p -96.59 147.71 23.6 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.123 1.769 . . . . 0.0 107.482 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 t -56.78 -37.15 70.71 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 125.21 1.404 . . . . 0.0 110.38 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.41 -41.34 84.76 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.635 1.174 . . . . 0.0 111.51 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.3 -13.88 45.34 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.78 -0.575 . . . . 0.0 111.164 -167.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -70.85 -17.52 62.73 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.744 1.217 . . . . 0.0 113.059 171.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.88 -48.33 71.89 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 120.323 1.42 . . . . 0.0 110.582 -173.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.55 -37.06 79.61 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.177 1.391 . . . . 0.0 110.757 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.2 -54.14 50.36 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.626 1.17 . . . . 0.0 108.823 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.01 -40.3 94.7 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.249 0.62 . . . . 0.0 111.554 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -51.49 -44.65 62.55 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 124.926 1.291 . . . . 0.0 111.063 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.93 -49.36 25.05 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.815 -0.553 . . . . 0.0 110.751 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -19.28 57.28 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -53.49 -63.06 1.27 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.793 2.037 . . . . 0.0 110.137 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 m -71.87 -63.29 1.16 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 173.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' C ' ' H ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -112.74 95.43 5.41 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -161.258 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 11.35 0.08 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.921 1.688 . . . . 0.0 112.818 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.421 ' H ' ' C ' ' A' ' 29' ' ' LYS . 17.0 p90 -148.63 147.62 29.17 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 124.713 1.205 . . . . 0.0 108.239 175.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.15 154.97 19.11 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.683 1.193 . . . . 0.0 109.157 175.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 t -108.92 84.84 1.99 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.465 1.906 . . . . 0.0 107.143 170.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 43.42 -76.25 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 129.891 3.277 . . . . 0.0 114.941 168.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.2 m -44.65 -40.44 5.86 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.468 1.907 . . . . 0.0 111.375 169.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.47 -36.95 85.43 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.382 1.073 . . . . 0.0 108.861 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -61.37 -40.23 93.56 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -73.88 -6.03 44.7 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 116.602 -1.666 . . . . 0.0 113.215 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.61 -73.19 0.11 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-N 121.188 1.813 . . . . 0.0 108.601 174.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.33 -43.22 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 118.294 0.497 . . . . 0.0 111.076 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.7 -39.42 73.82 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 117.997 -1.002 . . . . 0.0 111.924 -175.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -98.7 -8.21 26.53 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.646 1.178 . . . . 0.0 111.827 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.02 -49.56 8.2 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.1 mt -92.92 -86.09 0.25 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.268 -168.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 174.42 14.42 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.687 1.995 . . . . 0.0 112.655 -167.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mp -76.85 -174.25 2.99 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.709 -1.245 . . . . 0.0 109.023 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -123.99 121.97 36.69 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -51.65 -32.78 30.76 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.217 1.807 . . . . 0.0 113.984 -173.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 p -64.5 -50.39 76.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.52 0.6 . . . . 0.0 110.397 175.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -45.48 84.37 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.996 0.903 . . . . 0.0 108.571 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.98 -50.27 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 125.046 1.339 . . . . 0.0 109.594 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -62.98 -7.87 6.13 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.07 -31.32 2.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 119.775 1.17 . . . . 0.0 111.314 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -51.74 -44.02 63.11 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.424 0.689 . . . . 0.0 109.396 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -80.0 -36.99 35.14 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.217 176.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -50.69 -38.46 47.05 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.529 1.532 . . . . 0.0 112.349 -171.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -56.13 -38.78 71.26 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.85 -0.595 . . . . 0.0 111.872 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 . . . . . 0 C--N 1.341 0.228 0 CA-C-N 119.597 1.089 . . . . 0.0 112.685 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.86 33.75 0.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.15 1.78 . . . . 0.0 113.09 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -120.32 -179.24 3.89 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.219 0.918 . . . . 0.0 110.447 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 p -126.2 169.98 12.29 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.775 1.63 . . . . 0.0 108.529 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 t -69.01 -34.55 75.44 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.528 0.603 . . . . 0.0 111.142 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -64.98 -47.0 79.14 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -68.74 -8.4 42.6 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.12 -2.95 48.9 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.751 1.62 . . . . 0.0 112.014 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.27 -57.22 5.12 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 120.449 1.477 . . . . 0.0 110.893 -167.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.35 -39.79 95.5 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.592 1.157 . . . . 0.0 109.437 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tp -64.24 -33.5 75.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 127.089 2.156 . . . . 0.0 110.808 -173.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -83.92 -35.17 24.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.382 0.673 . . . . 0.0 112.721 169.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -69.78 -46.24 66.2 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 118.873 0.76 . . . . 0.0 109.627 -170.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -64.91 -16.89 63.82 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.65 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.61 -4.54 27.72 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.193 0.906 . . . . 0.0 112.904 171.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -82.66 -30.75 29.1 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.639 1.109 . . . . 0.0 112.436 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.6 m -119.8 -12.87 9.15 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -169.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.43 169.43 17.7 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.416 1.886 . . . . 0.0 106.944 160.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.03 18.4 11.68 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.567 0.622 . . . . 0.0 111.878 -174.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -160.18 97.45 1.25 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.33 101.59 0.06 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 167.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 m -147.85 178.32 8.6 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 128.485 2.714 . . . . 0.0 107.324 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? 62.78 -86.11 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 128.563 2.745 . . . . 0.0 112.821 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 t -103.1 -26.88 12.87 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.55 -23.55 37.14 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 121.299 -0.876 . . . . 0.0 109.576 -155.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -62.21 -45.39 93.55 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 170.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 m -77.41 -25.42 50.77 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.977 0.911 . . . . 0.0 111.103 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -60.62 -63.01 1.45 Allowed 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 124.264 1.025 . . . . 0.0 108.442 -170.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -67.33 -39.69 83.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -176.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.61 -26.54 65.54 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 118.113 -0.946 . . . . 0.0 112.023 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -120.07 20.34 12.11 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.091 0.956 . . . . 0.0 111.709 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.4 -34.61 2.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 117.161 -1.4 . . . . 0.0 113.522 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 mt -97.21 -88.78 0.29 Allowed 'General case' 0 C--N 1.346 0.417 0 CA-C-N 120.423 1.465 . . . . 0.0 109.925 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -171.42 24.99 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 130.097 3.359 . . . . 0.0 111.382 -169.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.71 -178.99 3.81 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -175.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t -146.08 153.17 40.4 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.31 -41.61 97.28 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.004 0.922 . . . . 0.0 111.104 -170.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.446 ' O ' ' HE2' ' A' ' 52' ' ' LYS . 14.5 p -51.9 -33.49 15.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 C-N-CA 125.847 1.659 . . . . 0.0 112.741 174.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.74 -41.38 14.18 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 118.496 0.589 . . . . 0.0 110.557 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.05 -34.45 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 O-C-N 121.377 -0.827 . . . . 0.0 110.887 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 49' ' ' VAL . 40.5 pttt -55.38 -34.38 64.28 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.828 1.194 . . . . 0.0 111.82 176.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.4 mt -82.38 -23.79 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.553 1.141 . . . . 0.0 109.325 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -61.44 -35.76 78.47 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 120.449 -1.407 . . . . 0.0 110.122 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -66.33 -18.03 65.11 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.837 -0.54 . . . . 0.0 111.695 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.33 3.92 1.12 Allowed 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.48 -1.388 . . . . 0.0 112.432 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -115.92 -18.62 10.67 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 124.701 1.2 . . . . 0.0 112.255 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -162.033 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 CA--C 1.54 0.572 0 CA-C-O 121.673 0.749 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.05 44.49 2.19 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.954 1.702 . . . . 0.0 112.189 177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -125.79 -166.02 1.5 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.9 1.68 . . . . 0.0 109.271 174.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.6 p -132.65 164.15 27.36 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.007 1.323 . . . . 0.0 108.532 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.3 p -65.6 -14.85 62.0 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.414 -0.804 . . . . 0.0 112.472 173.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -98.4 -4.88 33.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.878 1.671 . . . . 0.0 111.21 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -107.21 -30.94 8.45 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.64 2.376 . . . . 0.0 109.435 169.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.75 -4.26 11.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.431 1.092 . . . . 0.0 112.837 171.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -45.2 76.93 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 120.158 1.345 . . . . 0.0 111.061 -173.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.6 -26.09 12.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 123.399 0.437 . . . . 0.0 109.938 -175.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.08 -49.22 78.5 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.308 1.043 . . . . 0.0 110.714 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -65.73 -25.87 67.48 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 121.895 -0.503 . . . . 0.0 111.852 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -70.28 -13.02 61.98 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.943 1.297 . . . . 0.0 111.643 -177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -49.08 79.23 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 118.82 0.736 . . . . 0.0 109.189 173.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.11 -1.2 11.54 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 126.359 1.864 . . . . 0.0 113.804 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -98.35 -0.97 42.72 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.126 0.971 . . . . 0.0 111.658 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.16 -32.66 0.78 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.392 1.077 . . . . 0.0 111.956 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -133.13 177.2 7.85 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 126.634 1.974 . . . . 0.0 105.928 169.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -140.98 27.05 2.0 Favored 'General case' 0 N--CA 1.423 -1.783 0 C-N-CA 123.253 0.621 . . . . 0.0 110.96 167.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -148.48 62.77 1.08 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.936 1.694 . . . . 0.0 108.626 -166.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.66 109.3 0.6 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.946 1.298 . . . . 0.0 110.701 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.3 t -65.03 176.35 1.28 Allowed 'General case' 0 C--O 1.238 0.473 0 C-N-CA 125.834 1.654 . . . . 0.0 111.229 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -54.95 27.56 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.88 1.272 . . . . 0.0 109.072 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -64.88 -31.08 72.14 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.066 0.946 . . . . 0.0 111.692 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.83 -39.73 23.56 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.691 0.796 . . . . 0.0 109.062 -167.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -56.55 -47.14 80.09 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 170.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.2 m -65.79 -2.71 3.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.776 1.63 . . . . 0.0 114.493 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -74.92 -80.18 0.08 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 120.541 1.519 . . . . 0.0 106.959 166.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -52.38 -43.4 40.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 118.628 0.649 . . . . 0.0 111.308 -176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.29 -10.81 57.39 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-O 118.294 -0.86 . . . . 0.0 112.817 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -133.79 36.67 3.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 120.115 1.325 . . . . 0.0 109.001 170.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.04 -63.43 1.11 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 118.247 -0.883 . . . . 0.0 109.329 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.05 -86.95 0.08 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -169.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -164.83 8.76 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.761 2.425 . . . . 0.0 111.305 -157.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 mp -105.94 141.87 36.6 Favored 'General case' 0 CA--C 1.522 -0.115 0 O-C-N 120.446 -1.408 . . . . 0.0 108.22 -167.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 m -77.69 140.63 39.57 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 170.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.29 -47.95 13.02 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.866 1.666 . . . . 0.0 111.002 170.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.8 t -59.06 -62.68 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.31 0.644 . . . . 0.0 109.532 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -35.22 64.03 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.828 0.851 . . . . 0.0 111.829 -171.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.8 -34.86 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 123.134 0.574 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -55.86 -37.21 68.47 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 120.721 -1.237 . . . . 0.0 112.135 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -81.12 -18.06 11.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 O-C-N 121.58 -0.7 . . . . 0.0 110.912 -173.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -58.6 -40.78 84.22 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 120.396 -1.44 . . . . 0.0 109.815 171.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -66.89 -26.92 67.11 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.259 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.37 -19.63 56.43 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.723 1.609 . . . . 0.0 110.831 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -87.01 -50.34 6.72 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 123.758 0.823 . . . . 0.0 111.305 167.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 . . . . . 0 N--CA 1.464 0.235 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -173.642 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.444 ' H ' ' NE2' ' A' ' 50' ' ' GLN . . . -112.54 52.47 0.77 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 124.537 1.135 . . . . 0.0 110.429 -177.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -120.32 -168.78 1.68 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.903 0.881 . . . . 0.0 110.606 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.4 p -139.67 169.25 18.07 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.648 1.579 . . . . 0.0 108.277 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.99 -25.87 61.14 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.115 0.87 . . . . 0.0 112.151 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -58.51 -58.95 6.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 169.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -56.8 -46.45 81.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.561 0.745 . . . . 0.0 111.989 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.36 -22.3 63.11 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 117.352 -1.309 . . . . 0.0 113.558 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.69 -34.38 71.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 120.437 1.471 . . . . 0.0 111.158 -175.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.97 -36.46 56.46 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.836 -0.54 . . . . 0.0 110.481 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.69 -36.92 85.85 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 126.583 1.953 . . . . 0.0 110.518 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -67.92 -49.42 61.95 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.74 1.216 . . . . 0.0 110.371 173.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -53.7 -48.87 69.13 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.868 0.867 . . . . 0.0 112.643 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.82 -38.44 78.63 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.355 0.41 . . . . 0.0 111.038 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -15.5 63.67 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.518 -0.753 . . . . 0.0 112.284 -173.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -77.44 -18.55 57.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.699 0.681 . . . . 0.0 111.563 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.7 t -111.78 -49.67 2.97 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.493 1.117 . . . . 0.0 110.51 -174.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.36 104.31 7.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.353 1.061 . . . . 0.0 108.515 -172.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -68.77 0.08 4.74 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.465 1.906 . . . . 0.0 112.299 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -132.38 120.44 22.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.755 2.022 . . . . 0.0 106.452 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -86.9 116.28 24.86 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.5 m -75.69 -170.34 1.27 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.352 0.596 . . . . 0.0 110.239 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -53.34 20.54 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 120.736 -1.228 . . . . 0.0 111.322 -168.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.2 m -69.26 -32.11 71.08 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.182 0.447 . . . . 0.0 110.885 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.67 -34.18 76.41 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.98 -17.33 51.32 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 172.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.9 m -97.23 -4.13 39.52 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.033 -1.46 . . . . 0.0 113.249 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -56.6 -62.81 1.47 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.584 1.538 . . . . 0.0 108.424 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.44 -36.83 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.629 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.61 73.68 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.828 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -95.35 -2.29 49.48 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.127 0.876 . . . . 0.0 112.989 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.87 -59.15 2.59 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 -173.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.05 -89.15 0.44 Allowed 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 119.207 -0.997 . . . . 0.0 112.274 -162.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.61 7.67 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 129.496 3.118 . . . . 0.0 111.419 -160.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.67 177.14 4.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.055 -1.653 . . . . 0.0 108.59 -173.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.8 t -115.2 127.65 55.66 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 164.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -44.72 -45.1 9.66 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.708 2.003 . . . . 0.0 110.819 174.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.67 -19.69 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 126.292 1.837 . . . . 0.0 112.072 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.444 ' NE2' ' H ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -89.69 -39.99 12.83 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.795 1.638 . . . . 0.0 110.348 170.573 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -57.71 -43.12 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.98 0.912 . . . . 0.0 110.064 -177.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -50.97 -26.39 5.92 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.8 mp -87.72 -20.5 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 120.697 -1.252 . . . . 0.0 111.262 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -60.36 -35.8 76.54 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.751 -1.218 . . . . 0.0 109.313 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -68.92 -45.15 71.59 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.992 0.917 . . . . 0.0 110.039 174.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -14.72 17.93 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.092 1.357 . . . . 0.0 112.945 174.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -99.6 -12.02 20.45 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.936 1.295 . . . . 0.0 112.426 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 . . . . . 0 CA--C 1.531 0.231 0 CA-C-N 119.381 0.991 . . . . 0.0 111.338 168.232 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.735 ' HG1' ' NE2' ' A' ' 50' ' ' GLN . 7.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.303 0.573 . . . . 0.0 112.057 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.37 23.3 13.36 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.583 1.953 . . . . 0.0 110.933 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -71.85 144.72 48.98 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.042 -1.036 . . . . 0.0 108.875 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.24 159.92 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 127.211 2.205 . . . . 0.0 109.409 -177.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.4 t -55.32 -28.2 52.08 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.558 1.143 . . . . 0.0 110.979 169.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -71.08 -23.82 62.19 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.818 1.19 . . . . 0.0 111.549 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -97.73 -12.9 21.79 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.756 1.222 . . . . 0.0 112.215 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mp -88.47 -6.64 57.5 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.893 -1.051 . . . . 0.0 111.946 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.35 -60.86 3.14 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.248 1.019 . . . . 0.0 109.768 -177.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.42 -30.67 71.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.163 1.385 . . . . 0.0 111.074 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mt -64.8 -48.89 72.8 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 124.383 1.073 . . . . 0.0 109.619 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -66.23 -35.06 79.44 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.591 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -64.05 -44.09 93.54 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.557 1.143 . . . . 0.0 110.159 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.15 -20.69 64.03 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.954 1.702 . . . . 0.0 112.323 172.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.4 0.11 57.08 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.301 1.04 . . . . 0.0 112.015 173.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.41 -52.55 17.97 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.865 1.211 . . . . 0.0 109.227 170.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.5 m -66.18 -54.09 29.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.198 0.999 . . . . 0.0 110.669 -173.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HE2' HD11 ' A' ' 32' ' ' LEU . 2.3 pptp? -132.13 158.32 41.96 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.014 -159.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -88.45 -19.16 26.87 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -164.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -139.61 -167.54 2.29 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 124.388 1.075 . . . . 0.0 108.863 -150.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 HD11 ' HE2' ' A' ' 29' ' ' LYS . 2.3 tp -146.59 80.82 1.56 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -74.49 73.88 1.93 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.959 2.504 . . . . 0.0 109.557 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 44.13 -86.1 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 128.774 2.83 . . . . 0.0 112.054 -165.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.0 m -48.07 -32.29 6.57 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 129.192 2.997 . . . . 0.0 114.13 -163.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.34 -39.4 86.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.454 1.102 . . . . 0.0 108.991 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -64.02 -38.6 91.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.234 -0.916 . . . . 0.0 112.126 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.7 m -73.17 -11.08 60.4 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.738 1.215 . . . . 0.0 110.18 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -70.79 -69.63 0.35 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 166.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -53.67 -46.39 61.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 118.417 0.553 . . . . 0.0 110.135 -173.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.2 -12.15 48.2 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -124.09 -2.25 8.17 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.379 0.99 . . . . 0.0 111.415 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.15 -49.14 4.0 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.655 1.182 . . . . 0.0 109.778 -176.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mt -88.57 -88.14 0.15 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.967 -174.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -164.05 13.52 0.05 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 130.691 3.597 . . . . 0.0 111.993 -170.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.99 -176.08 3.45 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.518 -1.364 . . . . 0.0 111.43 -163.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.48 117.74 21.86 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.912 1.685 . . . . 0.0 109.412 -168.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.85 -35.69 61.77 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.086 1.312 . . . . 0.0 111.886 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.61 -52.26 63.04 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.735 ' NE2' ' HG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -67.91 -43.85 78.29 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 123.069 0.548 . . . . 0.0 110.501 -176.625 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.04 -28.3 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 O-C-N 120.956 -1.09 . . . . 0.0 109.971 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -50.31 -34.52 23.9 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.378 1.071 . . . . 0.0 111.512 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.61 -29.16 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 119.011 0.823 . . . . 0.0 111.153 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -53.78 -38.98 65.03 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 121.01 -1.056 . . . . 0.0 111.607 -172.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -89.37 -36.38 15.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.217 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.7 -33.98 36.63 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.824 1.65 . . . . 0.0 111.541 175.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.02 -18.32 45.35 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 119.281 0.946 . . . . 0.0 111.142 178.105 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.238 0.481 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.8 48.24 1.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.608 1.563 . . . . 0.0 108.147 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -77.31 -165.92 0.66 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.13 0.972 . . . . 0.0 108.813 171.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.42 158.36 43.97 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 126.055 1.742 . . . . 0.0 106.585 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -59.88 -25.58 65.19 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.4 -10.96 60.45 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.166 0.986 . . . . 0.0 112.383 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -122.1 -17.21 7.29 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.739 1.216 . . . . 0.0 111.376 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.75 -3.25 37.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.844 171.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.59 -52.32 58.13 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 120.651 1.569 . . . . 0.0 109.166 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.94 -35.78 81.8 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.387 1.075 . . . . 0.0 110.677 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tp -66.43 -48.5 69.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.346 1.458 . . . . 0.0 109.339 -173.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -71.9 -33.4 68.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.53 -0.748 . . . . 0.0 112.06 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -56.24 -54.16 48.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 119.32 0.964 . . . . 0.0 109.672 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.21 -43.42 98.9 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.444 0.698 . . . . 0.0 109.793 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -11.12 39.18 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -83.61 -34.55 25.08 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.989 1.268 . . . . 0.0 109.81 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.75 -39.23 76.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.869 0.868 . . . . 0.0 109.61 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HZ1' ' HG3' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -158.39 161.58 37.56 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 123.762 0.825 . . . . 0.0 109.575 -169.357 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 6.49 22.24 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -163.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -141.88 127.64 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.673 1.189 . . . . 0.0 107.892 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -88.79 99.29 12.25 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -65.96 -179.28 0.7 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.725 2.01 . . . . 0.0 111.182 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -56.92 12.49 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.318 -0.864 . . . . 0.0 112.266 -167.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 t -64.31 -28.4 69.69 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.324 1.059 . . . . 0.0 110.401 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HG3' ' HZ1' ' A' ' 29' ' ' LYS . 3.6 mm-40 -69.78 -32.73 71.37 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 -177.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -75.56 -16.28 60.27 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.066 1.747 . . . . 0.0 112.357 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -13.59 43.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.91 0.884 . . . . 0.0 112.394 171.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -62.27 -66.77 0.49 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.787 1.176 . . . . 0.0 110.644 -171.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.82 -36.91 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.083 0.953 . . . . 0.0 110.103 -174.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.79 -32.42 67.52 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -107.74 0.32 22.24 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.711 0.687 . . . . 0.0 111.442 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.19 -36.81 13.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.904 0.881 . . . . 0.0 110.086 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.1 mt -119.41 -87.22 0.64 Allowed 'General case' 0 C--N 1.342 0.27 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -163.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER 174.15 11.92 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.217 2.207 . . . . 0.0 113.503 -166.614 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -71.58 178.69 3.39 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.163 -0.961 . . . . 0.0 108.94 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.3 m -124.68 121.21 34.06 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.704 1.202 . . . . 0.0 109.015 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.03 -39.56 72.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.306 1.442 . . . . 0.0 112.893 -162.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.25 -41.97 88.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.946 -0.471 . . . . 0.0 109.774 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -40.54 83.56 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.901 1.28 . . . . 0.0 110.239 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.6 -45.77 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -52.32 -24.64 7.86 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.399 1.48 . . . . 0.0 113.353 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 mt -104.05 -21.36 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 124.35 1.06 . . . . 0.0 110.369 -172.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -52.1 -44.84 64.62 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.923 1.238 . . . . 0.0 108.345 166.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.3 -21.42 66.6 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.56 -21.71 66.15 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 120.641 1.564 . . . . 0.0 111.003 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -83.02 -62.91 1.47 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 125.356 1.462 . . . . 0.0 108.983 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -169.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.1 m . . . . . 0 C--O 1.237 0.407 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.65 88.99 2.87 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 128.313 2.645 . . . . 0.0 105.529 170.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -120.24 163.65 17.46 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 163.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.8 p -114.15 164.03 14.41 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 125.777 1.631 . . . . 0.0 109.263 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 t -56.78 -42.84 80.13 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.634 -0.666 . . . . 0.0 109.991 173.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -52.9 -29.54 28.99 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.922 1.289 . . . . 0.0 114.223 173.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -95.94 -11.82 26.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.375 2.27 . . . . 0.0 112.111 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -101.11 -12.82 18.5 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.224 1.409 . . . . 0.0 112.817 -175.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.5 -59.78 4.02 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.899 1.279 . . . . 0.0 110.009 -174.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -71.65 -41.36 68.86 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.309 1.844 . . . . 0.0 108.128 -173.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.5 tp -58.93 -50.52 73.74 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 127.113 2.165 . . . . 0.0 110.664 -174.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.22 -47.19 62.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.973 1.709 . . . . 0.0 109.89 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -56.67 -46.19 81.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 118.869 0.759 . . . . 0.0 110.941 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -13.57 62.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.451 -178.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.03 -7.95 59.67 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 119.209 0.913 . . . . 0.0 112.331 173.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -82.27 -44.31 16.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.926 0.89 . . . . 0.0 110.539 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 89.1 m -86.26 -21.11 27.55 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.09 0.859 . . . . 0.0 111.048 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.64 113.59 5.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.5 17.82 0.81 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.07 0.948 . . . . 0.0 111.107 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -147.99 141.88 25.81 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 128.245 2.618 . . . . 0.0 107.133 -170.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.6 mt -113.16 105.28 13.26 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.594 1.958 . . . . 0.0 109.356 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.0 m -68.51 96.77 0.72 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.624 1.17 . . . . 0.0 109.227 165.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 43.54 -80.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 129.548 3.139 . . . . 0.0 115.212 164.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.3 m -54.39 -34.66 61.72 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.615 0.766 . . . . 0.0 111.006 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -69.78 -14.82 62.96 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.157 0.983 . . . . 0.0 110.364 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -97.3 0.52 48.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.263 1.825 . . . . 0.0 112.373 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 p -101.92 -22.33 14.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.008 0.923 . . . . 0.0 110.89 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -66.93 -59.91 3.1 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 123.73 0.812 . . . . 0.0 109.945 -164.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.71 -30.37 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 121.524 -0.735 . . . . 0.0 109.134 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.52 -6.43 30.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.991 1.317 . . . . 0.0 113.907 174.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -138.44 8.41 2.64 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.038 1.29 . . . . 0.0 113.479 175.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.79 -47.25 3.16 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.538 1.535 . . . . 0.0 109.539 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.13 -89.5 0.17 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.737 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.97 24.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.597 2.359 . . . . 0.0 108.804 -166.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -111.7 173.35 6.39 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 -175.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 m -142.66 141.7 31.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 118.357 -0.83 . . . . 0.0 108.937 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -47.2 -46.36 23.94 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.037 0.935 . . . . 0.0 112.228 -173.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -53.94 -38.39 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 124.264 1.025 . . . . 0.0 111.655 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -42.15 14.61 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.082 1.353 . . . . 0.0 109.859 177.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.82 -39.5 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 O-C-N 121.526 -0.734 . . . . 0.0 110.208 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -56.41 -22.83 34.21 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.382 0.992 . . . . 0.0 113.447 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.9 mp -85.37 -20.98 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 O-C-N 120.243 -1.535 . . . . 0.0 111.435 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 36.5 t90 -59.1 -35.87 74.16 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.881 1.219 . . . . 0.0 109.491 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -72.06 -34.02 68.41 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.609 -0.682 . . . . 0.0 110.838 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -8.01 4.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.291 1.436 . . . . 0.0 111.705 171.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -121.73 -21.39 6.14 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 117.341 -1.314 . . . . 0.0 113.97 171.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 . . . . . 0 C--N 1.333 -0.117 0 CA-C-N 121.39 1.905 . . . . 0.0 110.679 178.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 67.09 5.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.124 0.97 . . . . 0.0 109.62 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -138.5 -164.91 1.72 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.381 1.472 . . . . 0.0 108.166 167.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.32 152.89 46.2 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 126.694 1.998 . . . . 0.0 107.365 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.89 -9.45 51.74 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.069 0.948 . . . . 0.0 112.123 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -40.51 55.28 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.447 1.022 . . . . 0.0 110.163 170.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -73.62 -44.8 56.12 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.07 -6.47 1.39 Allowed 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.347 1.459 . . . . 0.0 114.059 -177.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -62.37 -42.83 99.72 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 120.428 1.467 . . . . 0.0 110.164 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.73 -32.97 68.33 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.349 0.595 . . . . 0.0 110.318 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.39 -52.84 62.93 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 170.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -66.54 -30.9 71.32 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.053 0.541 . . . . 0.0 112.229 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -70.79 -46.4 62.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.515 0.726 . . . . 0.0 110.527 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -47.03 86.93 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 121.543 -0.723 . . . . 0.0 109.771 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.18 2.13 11.66 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -91.17 -29.3 17.33 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.973 1.309 . . . . 0.0 111.16 169.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.7 m -85.83 -38.85 17.69 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.758 0.823 . . . . 0.0 111.006 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -129.13 150.91 50.32 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 124.943 1.297 . . . . 0.0 109.501 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -93.66 32.07 1.47 Allowed 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.385 0.674 . . . . 0.0 110.362 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -163.19 -167.93 1.59 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 -172.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.1 mt -159.01 103.11 1.66 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 103.354 -2.832 . . . . 0.0 103.354 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.0 m -61.28 165.16 4.75 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -45.67 82.82 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.433 -0.792 . . . . 0.0 110.772 -165.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -50.84 -42.87 58.98 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 125.067 1.347 . . . . 0.0 111.902 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -71.4 -47.52 55.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.468 1.507 . . . . 0.0 107.773 -165.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -62.3 -39.55 93.35 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.261 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 m -58.94 -34.66 72.0 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 117.682 -1.152 . . . . 0.0 112.543 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -61.66 -61.07 2.78 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.5 mp -45.64 -54.24 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 123.843 0.857 . . . . 0.0 110.639 172.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.14 -18.62 64.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.685 -172.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -127.63 -2.03 6.09 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 119.391 0.996 . . . . 0.0 113.303 -168.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.68 -12.64 13.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.946 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.7 mt -113.64 -90.07 0.53 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.804 1.184 . . . . 0.0 110.576 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.49 33.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 130.233 3.413 . . . . 0.0 108.768 -168.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.82 166.25 10.51 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.099 -1.001 . . . . 0.0 109.099 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.89 119.61 32.08 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -174.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.79 -41.65 7.14 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.311 1.844 . . . . 0.0 113.19 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.9 t -70.05 -36.89 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 O-C-N 120.786 -1.196 . . . . 0.0 110.9 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -41.38 75.94 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.249 1.02 . . . . 0.0 110.105 176.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.3 -38.69 70.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.35 1.06 . . . . 0.0 108.947 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -54.73 -27.15 38.69 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.09 0.956 . . . . 0.0 113.377 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mt -102.56 -19.94 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 119.52 1.055 . . . . 0.0 110.471 -170.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -58.99 -32.1 69.39 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.295 -1.503 . . . . 0.0 110.178 172.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.41 ' C ' ' H ' ' A' ' 57' ' ' ASN . 62.3 m-85 -54.65 -31.15 57.1 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.303 1.041 . . . . 0.0 112.391 172.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.53 10.75 0.16 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.55 1.94 . . . . 0.0 113.316 176.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' A' ' 55' ' ' PHE . 11.1 m-80 -126.41 -53.13 1.48 Allowed 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 126.529 1.932 . . . . 0.0 107.876 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 tpt85 . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -177.902 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 121.005 0.431 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.67 89.56 2.0 Allowed 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 167.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -128.8 179.33 5.77 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.619 1.967 . . . . 0.0 108.074 168.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.75 154.63 39.22 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 127.145 2.178 . . . . 0.0 107.613 -176.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -15.61 9.66 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.35 1.06 . . . . 0.0 112.775 169.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.59 -49.8 43.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 119.688 1.131 . . . . 0.0 110.395 171.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -88.49 -21.02 24.39 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.006 -172.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.01 -30.38 68.76 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 121.099 -1.001 . . . . 0.0 111.235 172.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -38.64 79.06 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.544 0.738 . . . . 0.0 112.708 -163.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.56 -32.64 20.57 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.222 1.009 . . . . 0.0 110.599 -173.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -48.53 70.83 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 126.523 1.929 . . . . 0.0 111.053 171.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.34 -30.99 62.26 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 123.906 0.882 . . . . 0.0 112.243 -178.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -58.87 6.1 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 172.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -77.69 30.15 0.16 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.065 1.346 . . . . 0.0 112.096 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -129.43 2.27 5.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.588 1.155 . . . . 0.0 112.107 164.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -73.45 -62.45 1.48 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 86.4 m -78.93 -22.5 45.69 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -169.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.15 125.76 32.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 -174.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.04 42.95 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -158.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -176.91 -174.08 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.5 1.52 . . . . 0.0 107.094 -175.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.9 mt -138.13 96.35 3.18 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 169.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -69.38 168.91 13.38 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.922 1.289 . . . . 0.0 109.587 169.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.25 -53.14 59.83 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.42 1.009 . . . . 0.0 111.135 -166.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 m -60.73 -40.96 94.34 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.937 0.895 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.94 -36.22 79.75 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.579 0.752 . . . . 0.0 109.527 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -68.88 -21.47 64.25 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.439 1.496 . . . . 0.0 110.737 -174.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.9 p -95.94 -5.66 40.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.46 1.027 . . . . 0.0 112.605 173.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.93 -59.55 5.19 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.51 1.504 . . . . 0.0 110.166 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mp -54.19 -50.92 52.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 C-N-CA 124.876 1.27 . . . . 0.0 109.301 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.25 -25.43 67.08 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -174.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -78.26 -9.33 59.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.468 1.107 . . . . 0.0 112.628 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.25 -2.6 1.12 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.214 1.37 . . . . 0.0 112.879 -166.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.2 mt -147.31 115.28 6.5 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 129.404 3.082 . . . . 0.0 104.393 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.12 33.23 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.752 1 C-N-CA 131.82 4.048 . . . . 0.0 114.405 175.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -179.54 0.35 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.1 2.56 . . . . 0.0 112.259 173.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.6 m -98.46 110.86 23.38 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.296 1.438 . . . . 0.0 109.391 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.6 -26.41 63.64 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.285 1.034 . . . . 0.0 112.97 -177.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.53 -46.46 95.43 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 O-C-N 121.385 -0.822 . . . . 0.0 108.937 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -37.42 75.55 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.247 1.419 . . . . 0.0 111.376 -170.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -56.24 -32.81 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -56.2 -22.62 30.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.969 2.108 . . . . 0.0 113.879 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -111.02 -25.58 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 119.233 0.924 . . . . 0.0 110.347 -176.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -58.11 -37.57 74.81 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.289 -0.882 . . . . 0.0 112.172 -171.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -82.15 -29.37 31.63 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 122.272 -0.268 . . . . 0.0 111.352 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.9 -35.69 73.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.954 1.702 . . . . 0.0 110.141 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -55.24 -42.92 74.08 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.529 -0.732 . . . . 0.0 110.566 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.633 0 C-N-CA 125.341 1.456 . . . . 0.0 113.396 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.241 0.613 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.5 3.43 53.97 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -86.48 171.26 11.23 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.345 1.058 . . . . 0.0 111.366 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.1 p -93.19 179.48 5.41 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 126.652 1.981 . . . . 0.0 108.572 -178.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -80.73 -38.31 29.0 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 120.737 -1.227 . . . . 0.0 108.519 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -67.57 -9.27 41.21 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.409 HE21 HD11 ' A' ' 46' ' ' LEU . 2.0 pt20 -113.98 -14.11 12.46 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.542 1.065 . . . . 0.0 112.832 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.86 -8.52 56.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.919 1.688 . . . . 0.0 113.338 170.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -69.08 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 119.866 1.212 . . . . 0.0 112.259 -164.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.98 -20.86 64.18 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.952 0.501 . . . . 0.0 111.581 -177.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.22 -45.87 65.43 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.719 1.207 . . . . 0.0 111.172 166.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.98 -28.14 57.75 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.861 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -60.33 -51.96 67.31 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 119.59 1.087 . . . . 0.0 108.802 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -54.64 14.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.284 0.634 . . . . 0.0 111.761 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.25 -5.8 30.19 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -171.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -72.3 -52.34 16.69 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.151 0.581 . . . . 0.0 109.484 168.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 84.0 m -72.76 -55.75 6.27 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.814 1.246 . . . . 0.0 109.655 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.84 102.84 9.1 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 122.698 1.237 . . . . 0.0 108.13 -168.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.45 39.94 0.48 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.431 1.492 . . . . 0.0 110.37 -166.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -171.93 138.83 1.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.953 2.101 . . . . 0.0 105.774 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mt -117.31 102.04 8.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -65.14 -179.31 0.55 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.268 1.427 . . . . 0.0 111.851 174.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -51.4 16.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.275 1.43 . . . . 0.0 113.036 -172.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.7 m -57.45 -51.94 67.4 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.604 1.562 . . . . 0.0 110.396 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -72.99 -40.39 65.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.749 2.019 . . . . 0.0 108.876 -163.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -64.69 -23.04 67.12 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.097 -1.627 . . . . 0.0 111.769 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 t -85.25 -10.91 55.98 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 120.487 1.494 . . . . 0.0 112.395 173.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -68.73 -66.81 0.53 Allowed 'General case' 0 C--N 1.342 0.273 0 CA-C-N 120.741 1.61 . . . . 0.0 109.659 -170.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mp -58.36 -45.92 89.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.81 -6.5 2.73 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.2 1.4 . . . . 0.0 114.522 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -136.16 14.35 3.29 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.959 1.254 . . . . 0.0 111.547 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.5 -46.43 5.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.79 1.236 . . . . 0.0 109.94 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -101.77 -88.16 0.39 Allowed 'General case' 0 C--N 1.349 0.586 0 CA-C-O 117.451 -1.261 . . . . 0.0 111.276 -169.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -159.92 -1.21 0.07 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.029 2.531 . . . . 0.0 114.736 -167.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.409 HD11 HE21 ' A' ' 18' ' ' GLN . 5.8 mp -81.74 151.49 27.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.843 1.257 . . . . 0.0 110.377 -166.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.68 128.91 36.16 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.47 1.508 . . . . 0.0 109.933 170.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -48.48 -43.11 34.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.2 1.4 . . . . 0.0 112.013 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.0 t -47.81 -53.03 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.245 1.418 . . . . 0.0 110.232 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -36.53 82.71 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.277 1.831 . . . . 0.0 110.643 -176.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -70.87 -43.45 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.489 1.516 . . . . 0.0 110.24 -174.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -50.38 -40.49 49.76 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.366 -0.834 . . . . 0.0 110.886 175.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.2 mt -77.11 -22.45 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 124.299 1.04 . . . . 0.0 110.468 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 19.3 t90 -56.56 -40.94 76.03 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 120.687 1.585 . . . . 0.0 108.577 174.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -65.63 -34.39 78.11 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.591 -0.693 . . . . 0.0 111.653 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.358 0.1 OUTLIER -72.66 -16.42 61.7 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.552 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -111.82 -1.19 15.65 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.791 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.234 0.288 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.78 70.05 1.33 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 166.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -98.71 165.89 11.58 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.448 ' H ' ' HG3' ' A' ' 18' ' ' GLN . 1.3 p -120.95 172.27 8.04 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.433 1.493 . . . . 0.0 108.359 -177.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -60.91 -32.5 71.97 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 119.072 -0.49 . . . . 0.0 111.023 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.58 -19.38 63.67 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.617 1.167 . . . . 0.0 112.046 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HG3' ' H ' ' A' ' 15' ' ' THR . 2.8 mt-30 -96.8 -43.03 7.69 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.169 1.388 . . . . 0.0 108.763 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 mt -67.67 -12.74 61.14 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 124.779 1.232 . . . . 0.0 112.618 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.14 -55.05 15.83 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 120.662 1.574 . . . . 0.0 108.177 -167.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -72.44 -26.87 62.0 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.12 0.968 . . . . 0.0 111.376 -174.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.3 tp -79.88 -33.15 40.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.653 2.381 . . . . 0.0 111.603 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.07 -26.3 43.05 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.945 -0.472 . . . . 0.0 109.94 167.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -73.75 -38.44 64.74 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.109 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.94 -51.46 67.58 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.362 0.983 . . . . 0.0 108.973 177.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -78.37 13.23 1.61 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.016 1.326 . . . . 0.0 112.375 -168.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.0 -5.37 13.79 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.645 1.111 . . . . 0.0 111.671 170.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.8 m -126.94 -0.66 6.59 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.25 132.64 26.75 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 119.557 1.072 . . . . 0.0 108.336 163.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -71.4 -11.71 61.03 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.567 165.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.93 100.78 4.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.355 0.98 . . . . 0.0 111.451 -164.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mt -69.18 113.58 6.66 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 168.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.2 t -159.25 -160.71 0.87 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 129.476 3.11 . . . . 0.0 104.955 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 52.52 40.1 29.17 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.389 1.876 . . . . 0.0 111.916 174.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.296 1.4 t 51.27 10.84 0.09 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.578 2.351 . . . . 0.0 115.001 -171.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.69 -33.88 76.92 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 120.162 -1.587 . . . . 0.0 108.931 174.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -3.13 4.87 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.662 -0.685 . . . . 0.0 112.793 175.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.0 m -122.16 13.66 10.46 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.628 1.571 . . . . 0.0 108.959 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -79.0 -64.39 1.19 Allowed 'General case' 0 C--N 1.345 0.392 0 CA-C-N 119.198 0.908 . . . . 0.0 108.651 172.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.426 HD11 ' H ' ' A' ' 40' ' ' ILE . 5.1 mp -62.38 -35.58 70.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -163.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.06 -13.79 62.27 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -111.67 -15.11 13.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.761 1.164 . . . . 0.0 112.228 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.58 -17.99 13.6 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 117.648 -1.168 . . . . 0.0 111.472 -157.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -122.98 -86.06 0.65 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 119.155 0.889 . . . . 0.0 112.702 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 43.46 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 128.725 2.81 . . . . 0.0 109.494 -172.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -113.08 -169.43 1.48 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.315 1.046 . . . . 0.0 108.789 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -137.31 134.69 36.35 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.477 1.511 . . . . 0.0 110.287 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -39.84 95.84 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.065 0.946 . . . . 0.0 113.492 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.2 t -58.57 -45.14 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -35.84 71.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.397 0.679 . . . . 0.0 110.385 -174.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.96 -37.77 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 121.158 -0.964 . . . . 0.0 110.74 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -54.69 -23.1 15.98 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.981 0.912 . . . . 0.0 111.201 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -109.96 -26.44 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.128 1.771 . . . . 0.0 111.151 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -54.69 -39.79 68.5 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.825 1.648 . . . . 0.0 109.669 173.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -52.35 -40.96 62.63 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.479 1.112 . . . . 0.0 112.708 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -55.32 -46.48 76.33 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.805 1.642 . . . . 0.0 110.01 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -66.11 -49.71 66.55 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 124.311 1.044 . . . . 0.0 110.302 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 . . . . . 0 C--N 1.343 0.283 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.72 -177.121 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.256 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.73 5.34 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.359 1.863 . . . . 0.0 111.851 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -79.85 178.56 8.11 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.253 1.421 . . . . 0.0 110.261 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.5 p -141.82 169.19 18.05 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.924 1.29 . . . . 0.0 108.983 -169.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -59.92 -43.64 94.76 Favored 'General case' 0 C--O 1.23 0.035 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.06 -34.6 70.29 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.193 0.52 . . . . 0.0 111.242 -177.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -94.22 -9.47 36.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.96 1.304 . . . . 0.0 111.908 -172.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.1 mt -98.04 -8.27 28.17 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.175 1.39 . . . . 0.0 111.746 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.56 -53.69 31.88 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 124.317 1.047 . . . . 0.0 109.716 -163.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.5 -32.92 48.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.199 1.8 . . . . 0.0 109.149 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HG ' ' CZ2' ' A' ' 54' ' ' TRP . 37.9 tp -68.7 -51.09 45.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.534 1.934 . . . . 0.0 111.287 -173.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.85 -35.34 80.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 119.528 -0.273 . . . . 0.0 110.63 173.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.94 -48.82 78.69 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.606 0.762 . . . . 0.0 110.309 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.42 -43.26 96.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 124.065 0.946 . . . . 0.0 110.015 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -78.43 -5.81 53.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.075 -1.016 . . . . 0.0 112.147 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -67.67 -30.23 69.71 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.1 0.864 . . . . 0.0 109.9 169.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m -102.39 -6.54 22.9 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.87 0.868 . . . . 0.0 112.433 -171.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HE3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -155.7 127.87 7.63 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 119.265 0.939 . . . . 0.0 111.478 -174.541 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -73.07 -6.74 47.64 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -170.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -144.08 166.25 25.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 119.823 1.192 . . . . 0.0 108.86 -167.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.525 HD13 ' HE3' ' A' ' 29' ' ' LYS . 5.5 tp -123.97 104.4 8.89 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -65.01 176.61 1.19 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 126.677 1.991 . . . . 0.0 111.858 175.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.43 -61.06 2.87 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.102 0.961 . . . . 0.0 109.083 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 t -44.95 -48.95 11.38 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.452 1.901 . . . . 0.0 111.189 169.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.19 -44.35 76.08 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.578 1.151 . . . . 0.0 110.009 -171.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -48.11 72.71 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.683 173.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -69.29 -23.24 63.8 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.234 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -67.49 -63.31 1.08 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 120.609 1.549 . . . . 0.0 107.553 -171.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -64.07 -39.68 86.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.32 -21.61 65.4 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 117.474 -1.251 . . . . 0.0 113.396 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -123.35 23.21 9.11 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.988 1.267 . . . . 0.0 110.733 173.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.42 -54.98 3.77 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -114.63 -88.25 0.57 Allowed 'General case' 0 C--N 1.343 0.302 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.521 -160.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.1 13.67 0.38 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.386 1.875 . . . . 0.0 112.496 -170.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mp -80.44 -175.71 5.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.765 1.626 . . . . 0.0 110.803 -170.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.4 t -129.75 134.66 47.74 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 169.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -48.74 -45.94 40.31 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.336 1.854 . . . . 0.0 111.614 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.7 t -63.68 -28.37 44.84 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 123.833 0.853 . . . . 0.0 110.824 -173.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.21 -39.91 28.17 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.619 1.099 . . . . 0.0 111.086 176.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.87 -38.34 78.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -2.78 2.21 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.468 ' HA ' ' CG ' ' A' ' 56' ' ' GLN . 4.5 mt -119.51 -21.88 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 119.788 1.176 . . . . 0.0 110.323 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.41 ' CZ2' ' HG ' ' A' ' 22' ' ' LEU . 77.6 t90 -59.19 -26.17 64.58 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.713 -1.242 . . . . 0.0 112.464 -175.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -78.33 -47.99 16.56 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.359 -0.838 . . . . 0.0 111.761 170.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.468 ' CG ' ' HA ' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -71.04 -35.01 71.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 120.608 -1.307 . . . . 0.0 111.748 -171.357 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -72.54 -15.48 61.77 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 117.621 -1.18 . . . . 0.0 113.118 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 . . . . . 0 C--N 1.346 0.416 0 CA-C-N 120.082 1.31 . . . . 0.0 112.147 -176.056 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.461 0.095 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.98 12.15 1.92 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -117.2 -173.53 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.543 1.137 . . . . 0.0 110.328 -172.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.3 p -132.6 167.16 20.55 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.541 2.336 . . . . 0.0 107.008 -174.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -66.9 -36.96 83.46 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.656 1.116 . . . . 0.0 110.588 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.48 -45.08 92.67 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.101 1.76 . . . . 0.0 111.06 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.78 -21.56 62.48 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 120.744 -1.223 . . . . 0.0 112.789 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -83.42 -9.92 58.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.974 1.31 . . . . 0.0 111.306 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -54.6 6.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 120.892 1.678 . . . . 0.0 108.308 -162.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -57.88 -38.61 76.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.494 1.518 . . . . 0.0 109.518 172.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -50.74 72.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.457 1.503 . . . . 0.0 110.283 -176.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -76.36 -27.65 56.5 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 122.707 0.403 . . . . 0.0 112.079 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -59.79 -31.76 70.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.055 0.942 . . . . 0.0 111.606 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -8.36 56.07 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -89.36 -0.81 57.76 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.629 -1.294 . . . . 0.0 111.678 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -87.0 -47.36 9.01 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.296 0.953 . . . . 0.0 111.167 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 91.7 m -101.61 -8.01 22.21 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -164.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.54 108.96 2.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 125.655 1.582 . . . . 0.0 108.881 -176.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -76.39 35.72 0.15 Allowed 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.549 -0.72 . . . . 0.0 111.885 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -164.54 103.33 0.82 Allowed 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 120.368 -1.457 . . . . 0.0 108.187 -176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.9 mt -70.29 117.86 12.38 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 163.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -131.89 -172.24 2.82 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 131.01 3.724 . . . . 0.0 106.331 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? 49.84 38.09 15.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.572 1.149 . . . . 0.0 112.404 164.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t 48.96 21.88 0.51 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.08 1.352 . . . . 0.0 113.47 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.73 -31.49 71.66 Favored 'General case' 0 CA--C 1.516 -0.358 0 O-C-N 119.758 -1.839 . . . . 0.0 109.091 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -57.65 -34.58 69.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.891 175.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 m -87.93 -6.17 58.18 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 124.851 1.261 . . . . 0.0 110.536 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.65 -51.88 44.75 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 172.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.5 mp -54.15 -42.3 55.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 119.033 0.833 . . . . 0.0 109.734 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.01 -30.02 65.75 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.023 0.929 . . . . 0.0 113.329 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -100.46 -34.94 9.73 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.693 1.133 . . . . 0.0 111.188 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.37 25.53 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -161.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.8 mt -99.69 -88.34 0.34 Allowed 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.81 -169.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -159.46 4.72 0.09 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.378 1.871 . . . . 0.0 112.527 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -94.93 -174.48 3.27 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -163.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -138.64 146.27 41.48 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 174.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -61.86 -34.52 76.15 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 123.573 0.749 . . . . 0.0 111.294 -175.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.6 t -54.94 -45.49 76.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 C-N-CA 124.213 1.005 . . . . 0.0 110.329 172.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -40.89 63.5 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 117.962 0.346 . . . . 0.0 110.115 -175.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.43 -33.71 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.855 0.862 . . . . 0.0 110.276 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -44.65 -45.18 9.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.63 1.572 . . . . 0.0 113.792 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -85.3 -22.12 7.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 O-C-N 121.353 -0.842 . . . . 0.0 110.209 -166.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -58.05 -36.25 72.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.212 -0.93 . . . . 0.0 109.689 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -73.1 -36.14 66.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.311 -0.852 . . . . 0.0 112.101 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -54.16 -39.83 66.91 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 120.213 1.37 . . . . 0.0 110.623 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -67.6 0.29 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.299 1.04 . . . . 0.0 109.277 170.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.0 mmt-85 . . . . . 0 CA--C 1.539 0.545 0 C-N-CA 125.955 1.702 . . . . 0.0 113.773 -179.377 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.29 39.86 1.11 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.416 1.486 . . . . 0.0 110.983 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -125.98 -165.29 1.41 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.379 1.472 . . . . 0.0 108.899 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.85 162.68 37.16 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 127.321 2.249 . . . . 0.0 106.281 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -51.72 -33.72 35.74 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 163.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.57 -10.0 53.04 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.359 -0.838 . . . . 0.0 113.115 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -129.44 2.3 5.07 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.483 1.513 . . . . 0.0 112.016 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 mp -95.77 -3.46 45.73 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 126.502 1.921 . . . . 0.0 111.725 170.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -52.84 63.51 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 119.285 0.948 . . . . 0.0 109.283 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.32 -36.9 66.3 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.024 0.93 . . . . 0.0 109.473 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.67 -38.49 70.64 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.898 1.279 . . . . 0.0 110.918 -168.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -80.85 -28.56 36.03 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 118.028 -0.987 . . . . 0.0 111.596 172.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -57.36 -51.34 69.79 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.606 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.07 1.35 0.46 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.958 2.103 . . . . 0.0 114.708 174.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.46 16.47 15.62 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.068 1.347 . . . . 0.0 111.261 173.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -98.85 -41.89 7.42 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.36 0.664 . . . . 0.0 111.66 175.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.3 m -76.49 -26.68 55.56 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.6 1.16 . . . . 0.0 112.593 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.56 171.37 18.24 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.256 1.022 . . . . 0.0 109.3 -164.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -121.54 3.77 10.17 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -163.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -152.57 98.89 2.41 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.774 1.23 . . . . 0.0 107.681 -164.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.05 126.11 28.73 Favored 'General case' 0 C--O 1.238 0.466 0 O-C-N 120.303 -1.498 . . . . 0.0 108.12 174.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.58 -177.34 4.77 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.104 0.962 . . . . 0.0 111.755 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.09 -55.59 33.02 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 126.598 1.959 . . . . 0.0 111.872 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 m -74.77 -38.93 62.04 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.63 -41.65 97.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.917 1.287 . . . . 0.0 109.075 -167.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -71.63 -19.91 62.05 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -80.11 -20.18 45.62 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.267 -0.873 . . . . 0.0 108.834 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -70.09 -43.75 70.45 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 119.03 -1.068 . . . . 0.0 110.387 -163.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.25 -34.87 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.93 -9.7 58.31 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.621 -0.704 . . . . 0.0 112.774 176.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -104.88 -5.32 21.21 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.758 1.223 . . . . 0.0 111.552 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.81 -56.22 2.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.739 1.216 . . . . 0.0 109.095 -171.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -96.93 -89.4 0.27 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 118.496 -1.281 . . . . 0.0 109.172 -162.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.65 15.46 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 131.107 3.763 . . . . 0.0 111.285 -174.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.6 174.76 9.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.029 1.332 . . . . 0.0 109.648 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.3 t -135.83 132.87 37.2 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.473 1.509 . . . . 0.0 110.166 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -57.21 -34.59 68.69 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.114 1.325 . . . . 0.0 114.103 -174.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -54.43 -36.31 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 119.238 0.926 . . . . 0.0 112.393 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -38.51 28.12 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.462 0.573 . . . . 0.0 111.889 173.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.5 t -57.13 -45.57 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -53.67 -21.94 7.92 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.8 mt -97.97 -21.51 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 119.757 1.162 . . . . 0.0 110.554 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -57.06 -32.63 66.42 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 120.721 -1.237 . . . . 0.0 110.129 173.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -63.07 -47.83 81.27 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.516 0.726 . . . . 0.0 110.737 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -31.74 62.65 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 118.667 0.667 . . . . 0.0 111.785 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.05 -54.68 30.39 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.465 0.319 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.34 153.13 96.01 Favored Pre-proline 0 CA--C 1.535 0.393 0 O-C-N 121.334 -0.854 . . . . 0.0 110.568 -174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -81.05 -3.74 12.36 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.326 2.018 . . . . 0.0 112.652 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.9 -116.0 8.67 Favored Glycine 0 CA--C 1.527 0.822 0 O-C-N 120.665 -1.272 . . . . 0.0 112.11 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 81.02 89.79 0.56 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 108.773 -1.731 . . . . 0.0 108.773 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -80.66 74.51 7.58 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.88 0.872 . . . . 0.0 111.438 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.81 112.35 6.17 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 155.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.54 104.66 1.62 Allowed 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.334 -0.854 . . . . 0.0 109.663 175.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -73.61 119.51 17.94 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -76.42 101.84 5.73 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.88 1.218 . . . . 0.0 108.08 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -118.51 11.79 13.03 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.306 1.443 . . . . 0.0 112.555 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -150.07 167.3 27.19 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 120.024 1.283 . . . . 0.0 112.298 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.88 30.78 7.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.455 2.702 . . . . 0.0 111.087 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -93.03 167.47 11.77 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 167.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.08 162.47 23.45 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 129.282 3.033 . . . . 0.0 106.899 -172.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 p -57.23 -25.47 59.16 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.261 0.482 . . . . 0.0 111.142 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -79.44 -42.75 24.7 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.833 0.825 . . . . 0.0 108.869 -166.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -76.98 -26.29 53.75 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.62 1.968 . . . . 0.0 110.852 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -15.86 61.18 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 117.232 -1.366 . . . . 0.0 112.411 177.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.68 -52.51 64.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -167.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.16 -37.67 86.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.706 2.402 . . . . 0.0 110.977 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.76 -26.43 66.97 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 128.411 2.685 . . . . 0.0 111.827 -177.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -96.35 -34.78 11.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 125.549 1.539 . . . . 0.0 110.297 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -55.79 -35.55 66.41 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 125.767 1.627 . . . . 0.0 110.536 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.85 -26.98 66.27 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.823 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.57 -20.73 65.89 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.521 1.51 . . . . 0.0 112.311 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -84.85 -19.29 32.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 118.538 -0.744 . . . . 0.0 110.767 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -81.67 -48.55 11.55 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.38 0.991 . . . . 0.0 109.883 172.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.63 158.63 41.42 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.769 1.228 . . . . 0.0 109.232 -166.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 4.47 49.24 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.645 1.111 . . . . 0.0 112.231 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -153.43 147.62 25.73 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 119.662 -1.899 . . . . 0.0 108.775 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.1 mt -130.09 98.11 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -172.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.86 171.74 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.832 1.653 . . . . 0.0 111.015 173.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.28 -46.09 91.04 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.923 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 m -61.44 -34.15 74.92 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.55 1.14 . . . . 0.0 111.665 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -79.49 -43.96 22.18 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -174.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -35.26 74.98 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 120.775 -1.203 . . . . 0.0 110.647 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.3 p -74.57 -10.45 59.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 117.348 -1.31 . . . . 0.0 111.992 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -67.78 -70.16 0.27 Allowed 'General case' 0 C--N 1.345 0.372 0 CA-C-N 120.458 1.481 . . . . 0.0 109.013 174.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mt -54.15 -42.43 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 119.887 1.222 . . . . 0.0 111.271 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.06 -36.29 67.9 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.863 0.756 . . . . 0.0 111.541 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -94.9 -3.51 48.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.44 1.896 . . . . 0.0 111.214 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.45 -27.8 27.27 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 120.216 -1.553 . . . . 0.0 109.038 -173.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.37 -88.45 0.62 Allowed 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.004 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.96 10.92 0.14 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.965 1.706 . . . . 0.0 111.497 -172.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -85.78 175.0 8.94 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.52 -1.363 . . . . 0.0 110.517 -162.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.61 116.43 26.6 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.586 1.555 . . . . 0.0 107.638 -173.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -56.56 -24.19 45.46 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.099 0.863 . . . . 0.0 112.259 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.0 t -57.67 -53.83 39.43 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 O-C-N 121.178 -0.951 . . . . 0.0 109.466 170.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.43 78.56 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.866 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.5 t -54.16 -38.71 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 119.014 0.825 . . . . 0.0 109.886 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -49.88 -49.93 47.66 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.607 1.163 . . . . 0.0 111.166 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.26 -21.75 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 124.275 1.03 . . . . 0.0 110.796 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 17.4 t90 -58.4 -38.89 78.3 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.51 -1.368 . . . . 0.0 109.186 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -64.36 -21.33 66.59 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -12.06 41.97 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 120.205 1.366 . . . . 0.0 111.342 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -91.86 -17.89 24.61 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.418 1.087 . . . . 0.0 112.478 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.72 13.82 0.45 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -167.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -116.67 -15.03 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.291 1.037 . . . . 0.0 112.466 176.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.11 92.57 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.583 0.628 . . . . 0.0 110.419 -170.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -44.67 -63.75 0.84 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.378 1.871 . . . . 0.0 112.099 -169.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -72.02 -27.01 62.44 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 117.796 -1.097 . . . . 0.0 111.669 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -72.27 -21.73 61.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 120.604 1.547 . . . . 0.0 112.69 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.64 -47.98 72.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.163 0.985 . . . . 0.0 110.609 166.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.8 mt -82.49 -57.7 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 124.422 1.089 . . . . 0.0 108.436 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.74 48.48 0.47 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.636 2.374 . . . . 0.0 109.856 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.42 102.76 4.54 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 105.492 -2.04 . . . . 0.0 105.492 167.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.89 175.85 41.42 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -169.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -133.28 -174.89 3.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.135 0.974 . . . . 0.0 110.409 -167.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.2 t -125.94 149.43 30.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 126.169 1.787 . . . . 0.0 107.852 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.243 0.716 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 163.089 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 119.024 -0.512 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.24 85.97 1.49 Allowed Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 126.683 1.993 . . . . 0.0 110.706 -163.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -67.73 -21.42 45.02 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.873 2.382 . . . . 0.0 115.082 -165.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.95 -165.42 48.67 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -165.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.02 90.22 0.5 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 169.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -126.4 93.62 3.85 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 118.536 1.168 . . . . 0.0 109.566 175.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.33 159.42 26.8 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 126.587 1.955 . . . . 0.0 110.858 169.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -88.26 125.79 34.83 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 123.493 0.717 . . . . 0.0 109.34 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -103.37 157.9 16.71 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 123.72 0.808 . . . . 0.0 110.041 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -119.53 85.37 2.36 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.106 1.762 . . . . 0.0 107.986 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -77.04 51.98 0.85 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.5 m -123.43 144.28 49.6 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.617 0.767 . . . . 0.0 110.065 176.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.58 101.24 2.93 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.499 1.919 . . . . 0.0 106.541 166.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -129.24 -164.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 126.841 2.056 . . . . 0.0 108.005 169.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.3 p -140.47 157.49 45.43 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.957 2.103 . . . . 0.0 106.083 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -29.43 68.6 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.578 1.536 . . . . 0.0 111.792 174.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -23.62 51.15 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.301 1.84 . . . . 0.0 112.465 172.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -117.65 0.25 12.01 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.968 1.707 . . . . 0.0 111.279 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.8 mt -101.08 -4.13 27.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.892 1.277 . . . . 0.0 110.545 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.54 -59.66 2.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 122.517 1.151 . . . . 0.0 109.521 -163.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -69.53 -37.22 77.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 126.911 2.084 . . . . 0.0 109.478 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.1 -36.86 84.99 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 126.211 1.805 . . . . 0.0 110.749 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -82.14 -30.1 31.28 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.435 172.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -57.05 -43.83 82.37 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -33.94 70.32 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.316 1.847 . . . . 0.0 112.908 176.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.17 4.67 33.42 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 118.692 0.678 . . . . 0.0 112.757 -171.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -105.97 -58.64 1.88 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.821 0.848 . . . . 0.0 109.885 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.6 m -67.69 -20.3 65.27 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.094 1.357 . . . . 0.0 112.927 -174.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.34 125.27 9.87 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -170.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.93 8.13 33.83 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.613 0.765 . . . . 0.0 112.694 -161.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -149.48 141.21 23.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 tp -101.31 108.28 19.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m -79.32 176.22 9.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -42.28 89.02 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.588 -0.695 . . . . 0.0 112.013 -167.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 t -64.65 -41.59 96.02 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.609 0.64 . . . . 0.0 110.137 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -70.74 -42.17 70.87 Favored 'General case' 0 CA--C 1.521 -0.167 0 O-C-N 121.114 -0.991 . . . . 0.0 109.257 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.87 -32.04 73.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 122.126 -0.359 . . . . 0.0 111.319 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -80.23 -18.41 49.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.301 -1.333 . . . . 0.0 112.577 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.34 -59.7 4.93 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.015 1.279 . . . . 0.0 109.91 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mp -50.92 -37.06 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 C-N-CA 123.301 0.64 . . . . 0.0 111.787 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.18 -22.21 62.66 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.652 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -131.62 -7.15 3.66 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.806 1.185 . . . . 0.0 113.819 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.03 -32.01 27.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 mt -110.29 -89.15 0.49 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.837 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.35 1.79 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.387 1.875 . . . . 0.0 113.606 -165.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.72 -173.39 4.62 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -169.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 t -144.43 152.34 40.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.025 -1.047 . . . . 0.0 108.86 173.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.78 -36.85 84.46 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -161.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.12 -42.83 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 120.381 1.446 . . . . 0.0 109.276 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -40.68 78.31 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.027 0.531 . . . . 0.0 110.18 178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -69.22 -48.32 69.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 126.196 1.798 . . . . 0.0 108.47 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -46.22 -42.91 14.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.431 1.492 . . . . 0.0 112.973 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 mt -79.84 -21.55 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.587 -0.696 . . . . 0.0 111.474 -176.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -62.6 -30.33 71.26 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 120.164 -1.585 . . . . 0.0 110.097 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -62.07 -35.14 77.75 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.587 0.755 . . . . 0.0 112.201 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -37.43 74.1 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.74 1.216 . . . . 0.0 110.173 174.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -78.48 -46.59 19.31 Favored 'General case' 0 C--O 1.23 0.056 0 O-C-N 121.721 -0.612 . . . . 0.0 110.16 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.01 8.0 0.24 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -175.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -112.8 9.26 19.03 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.544 1.52 . . . . 0.0 113.216 172.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.11 -24.75 15.6 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.278 0.945 . . . . 0.0 113.529 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -44.8 -52.62 8.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.595 1.558 . . . . 0.0 112.83 -170.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -64.15 -57.91 8.17 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -52.79 -40.72 63.48 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 125.061 1.345 . . . . 0.0 112.505 -175.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -17.15 57.52 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 39.2 mt -100.24 -52.59 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 169.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -72.3 42.15 0.09 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 128.032 2.533 . . . . 0.0 111.808 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.25 124.09 31.65 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 126.673 1.989 . . . . 0.0 107.654 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.55 67.29 0.96 Allowed Glycine 0 CA--C 1.518 0.26 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -148.81 162.53 39.61 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 108.863 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.57 145.27 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 159.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 t . . . . . 0 C--O 1.246 0.896 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.078 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.62 165.18 15.78 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.656 1.182 . . . . 0.0 111.164 173.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.9 162.41 19.01 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 123.028 2.485 . . . . 0.0 113.224 177.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.61 -55.69 2.94 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 126.513 2.006 . . . . 0.0 114.146 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.15 -118.27 3.37 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 119.098 1.449 . . . . 0.0 109.718 -171.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.58 97.39 4.52 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.452 1.126 . . . . 0.0 111.082 -159.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 m -87.31 161.49 17.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.301 0.572 . . . . 0.0 110.968 170.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -53.88 109.03 0.41 Allowed 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.497 1.519 . . . . 0.0 109.712 160.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -117.46 100.66 7.8 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -59.06 111.37 1.29 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 164.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -111.73 6.24 19.66 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 125.659 1.584 . . . . 0.0 110.581 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.52 157.58 44.95 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.42 14.58 20.34 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 124.487 1.115 . . . . 0.0 111.912 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -84.45 175.41 9.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.677 0.751 . . . . 0.0 109.094 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.477 ' H ' ' HB2' ' A' ' 18' ' ' GLN . 60.4 p -136.7 168.57 19.26 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.818 2.047 . . . . 0.0 108.398 -171.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -40.2 63.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.909 0.883 . . . . 0.0 111.345 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.45 -37.67 68.49 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.826 0.739 . . . . 0.0 111.13 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HB2' ' H ' ' A' ' 15' ' ' THR . 38.6 mt-30 -70.6 0.69 6.35 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.334 -0.854 . . . . 0.0 112.535 -176.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.0 mt -113.56 0.06 14.53 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.896 1.678 . . . . 0.0 111.99 -178.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.69 -27.24 63.85 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.592 1.157 . . . . 0.0 112.706 -168.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -106.43 -26.2 11.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.604 1.562 . . . . 0.0 109.693 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.0 tp -69.27 -55.37 10.71 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 126.553 1.941 . . . . 0.0 108.511 -179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.95 -37.04 85.48 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.715 0.689 . . . . 0.0 111.017 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.18 -58.24 9.06 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 125.673 1.589 . . . . 0.0 110.541 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.67 -42.25 99.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.0 -10.96 44.44 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -175.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.06 -49.11 75.84 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.238 0.926 . . . . 0.0 110.2 169.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.9 m -73.98 -24.17 59.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.566 1.147 . . . . 0.0 112.029 -174.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 117.33 6.96 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 124.303 1.041 . . . . 0.0 110.086 -166.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -71.15 3.62 3.39 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -155.11 171.74 19.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 120.468 1.485 . . . . 0.0 108.51 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -113.09 112.97 24.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.012 1.725 . . . . 0.0 108.543 -174.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 m -72.19 40.96 0.08 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.506 1.922 . . . . 0.0 113.27 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.28 -67.02 0.18 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 127.856 2.462 . . . . 0.0 114.564 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -55.61 -32.66 63.31 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.161 1.346 . . . . 0.0 109.932 171.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -62.34 -27.21 68.9 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.349 1.459 . . . . 0.0 110.176 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -68.46 -40.61 81.0 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.8 -0.563 . . . . 0.0 111.672 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -20.29 65.98 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.36 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -63.08 -61.13 2.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 118.685 0.675 . . . . 0.0 109.923 -171.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -63.36 -40.22 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.62 -16.71 63.98 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -108.95 -7.07 15.47 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.414 1.085 . . . . 0.0 112.102 172.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.06 -37.24 12.27 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 121.182 1.81 . . . . 0.0 110.313 -171.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.3 mt -108.02 -85.72 0.52 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -163.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 174.94 28.89 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.317 3.047 . . . . 0.0 110.818 -173.48 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -94.68 -179.05 4.74 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.7 m -127.46 134.43 49.84 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 124.658 1.183 . . . . 0.0 108.802 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -50.18 -48.24 54.2 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.427 1.091 . . . . 0.0 112.073 -172.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.68 -40.72 83.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 123.661 0.784 . . . . 0.0 110.574 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -40.36 91.72 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.77 -0.581 . . . . 0.0 110.261 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.4 t -63.88 -38.96 83.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -57.21 -7.6 0.57 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.598 1.959 . . . . 0.0 113.307 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.0 mt -116.81 -29.72 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 119.407 1.003 . . . . 0.0 110.939 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -55.38 -43.34 75.07 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 120.015 1.279 . . . . 0.0 110.118 -174.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -81.47 -28.64 34.03 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 121.578 -0.049 . . . . 0.0 111.016 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.6 -38.38 71.96 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.125 1.37 . . . . 0.0 110.221 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -69.25 -4.73 19.0 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.864 1.265 . . . . 0.0 112.909 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -114.18 0.62 14.29 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.889 1.676 . . . . 0.0 109.881 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -90.51 -54.27 4.07 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.022 1.283 . . . . 0.0 110.097 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.58 -5.13 46.4 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.361 -0.352 . . . . 0.0 111.73 -172.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -44.52 -61.22 1.62 Allowed 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 126.3 1.84 . . . . 0.0 111.316 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -69.84 -41.68 74.61 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.639 1.108 . . . . 0.0 110.156 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -46.97 -56.48 6.33 Favored 'General case' 0 C--O 1.226 -0.137 0 C-N-CA 125.604 1.561 . . . . 0.0 110.792 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -27.43 68.44 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -172.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.2 mt -89.85 -17.33 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 125.544 1.538 . . . . 0.0 109.851 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -111.63 32.55 5.33 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.597 1.959 . . . . 0.0 110.57 -174.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.42 109.06 13.91 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.288 2.235 . . . . 0.0 107.413 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.71 -140.49 6.46 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 106.61 -2.596 . . . . 0.0 106.61 -169.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -125.97 177.14 6.51 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.917 1.358 . . . . 0.0 108.809 160.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.24 178.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 127.541 2.336 . . . . 0.0 109.153 169.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.587 -1.197 . . . . 0.0 107.971 153.168 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.473 0.705 0 CA-C-O 119.307 -0.378 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.46 66.88 2.21 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 125.179 1.391 . . . . 0.0 109.33 164.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.22 139.35 77.35 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.455 2.104 . . . . 0.0 111.678 -170.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.69 93.27 0.55 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.11 -55.55 0.03 OUTLIER Glycine 0 CA--C 1.524 0.619 0 C-N-CA 125.239 1.4 . . . . 0.0 110.191 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -79.32 153.81 29.56 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.028 0.914 . . . . 0.0 110.149 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.1 t -87.01 118.95 26.73 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 124.761 1.225 . . . . 0.0 108.037 172.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 173.26 10.94 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.501 -0.749 . . . . 0.0 109.905 169.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -112.48 124.51 52.67 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 140.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -78.0 91.56 4.25 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 174.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -136.84 6.67 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.804 1.242 . . . . 0.0 110.885 -171.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 m -129.9 130.11 44.74 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 119.613 1.097 . . . . 0.0 108.95 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.2 57.81 3.52 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.501 1.12 . . . . 0.0 109.128 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -131.66 160.33 35.71 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.635 0.774 . . . . 0.0 109.674 165.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.0 p -107.94 165.3 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.363 1.465 . . . . 0.0 110.046 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.48 -16.41 63.88 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -85.47 -43.79 13.28 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.698 1.199 . . . . 0.0 110.263 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -66.08 -29.63 70.0 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.811 -0.555 . . . . 0.0 111.374 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 mt -78.69 -17.13 56.4 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.831 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.46 -46.42 76.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 119.023 0.828 . . . . 0.0 109.408 -165.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -66.41 -42.9 87.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.792 2.037 . . . . 0.0 110.555 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.32 -44.94 92.52 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.579 1.151 . . . . 0.0 110.569 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -73.96 -33.17 63.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.484 0.713 . . . . 0.0 111.813 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -64.92 -61.11 2.37 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 124.794 1.238 . . . . 0.0 109.006 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.13 -14.67 26.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 117.474 -1.25 . . . . 0.0 111.903 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -21.06 65.94 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 122.262 2.301 . . . . 0.0 112.278 171.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -66.58 -36.05 81.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.266 1.026 . . . . 0.0 110.738 169.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.8 -32.77 25.16 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.534 0.733 . . . . 0.0 111.738 -173.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' HE3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -166.1 155.52 11.78 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.099 1.36 . . . . 0.0 109.139 -161.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 6.16 11.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -159.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 8.8 p90 -132.94 -163.86 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 127.284 2.234 . . . . 0.0 106.916 -174.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.451 HD12 ' HE3' ' A' ' 29' ' ' LYS . 1.7 tp -153.8 94.78 1.8 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 105.715 -1.958 . . . . 0.0 105.715 163.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -156.16 178.87 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 125.017 1.327 . . . . 0.0 109.994 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mp 58.39 -86.29 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 129.374 3.07 . . . . 0.0 111.402 -175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -97.2 -15.11 21.03 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.958 0.799 . . . . 0.0 109.279 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -97.67 -35.94 10.42 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 118.41 -0.805 . . . . 0.0 113.076 -155.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -58.66 -48.51 80.81 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 p -74.89 3.27 8.49 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.391 1.077 . . . . 0.0 112.784 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -78.23 -84.43 0.08 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 164.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mp -59.59 -38.04 73.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 118.66 0.663 . . . . 0.0 109.943 -171.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.86 -24.32 66.84 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 117.578 -1.201 . . . . 0.0 112.252 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -113.31 10.79 18.49 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.866 1.212 . . . . 0.0 110.796 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.87 -46.61 6.17 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 119.262 0.937 . . . . 0.0 108.957 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -117.96 -88.93 0.6 Allowed 'General case' 0 C--N 1.344 0.362 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.532 -166.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.45 39.43 0.24 Allowed 'General case' 0 C--O 1.239 0.537 0 C-N-CA 126.124 1.769 . . . . 0.0 110.717 -172.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mp -106.47 177.01 4.98 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.257 1.023 . . . . 0.0 109.017 -177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -142.22 133.08 25.71 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.247 1.419 . . . . 0.0 107.243 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -52.42 -36.35 54.15 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.788 0.835 . . . . 0.0 112.4 -173.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.97 -48.44 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.309 0.643 . . . . 0.0 110.076 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -39.56 91.69 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.615 0.643 . . . . 0.0 110.332 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.32 -33.07 58.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.077 1.351 . . . . 0.0 109.709 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -56.88 -44.1 81.94 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.093 -1.004 . . . . 0.0 110.953 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.4 mp -73.63 -22.36 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 118.38 0.536 . . . . 0.0 110.298 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -63.9 -34.22 77.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.322 -1.486 . . . . 0.0 110.074 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -60.71 -47.55 85.76 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.059 172.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -45.28 61.42 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.965 1.706 . . . . 0.0 109.992 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -63.53 -37.46 87.39 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.265 -0.897 . . . . 0.0 110.628 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -78.51 20.78 0.41 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.914 0.885 . . . . 0.0 112.981 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -114.48 -49.43 2.83 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.429 1.468 . . . . 0.0 111.443 170.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.47 -5.22 59.31 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.274 1.03 . . . . 0.0 111.976 -167.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -52.48 -62.13 1.83 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.152 0.981 . . . . 0.0 110.599 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -68.68 -39.24 80.68 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.224 0.466 . . . . 0.0 111.131 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -34.97 73.57 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 117.416 -1.278 . . . . 0.0 111.805 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -60.95 -8.86 3.48 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 121.195 1.816 . . . . 0.0 114.835 173.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.7 mt -107.34 -41.79 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.575 1.55 . . . . 0.0 108.364 171.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -78.59 -13.28 59.91 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.848 1.659 . . . . 0.0 113.411 -173.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.52 85.43 2.26 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 120.792 1.633 . . . . 0.0 109.583 -167.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.77 174.56 28.53 Favored Glycine 0 CA--C 1.525 0.713 0 O-C-N 123.983 0.802 . . . . 0.0 111.671 170.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -158.4 162.7 37.63 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 126.148 1.779 . . . . 0.0 108.348 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.47 121.1 8.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 161.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.243 0.729 0 C-N-CA 124.753 1.221 . . . . 0.0 109.391 -177.913 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.51 148.79 85.63 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.202 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -69.82 -18.33 36.79 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.877 2.384 . . . . 0.0 112.085 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.13 -79.1 0.21 Allowed Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 108.269 -1.932 . . . . 0.0 108.269 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.42 37.52 74.9 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.921 0.772 . . . . 0.0 113.834 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -136.19 150.95 49.24 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.988 1.315 . . . . 0.0 109.68 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.9 p -66.17 100.14 0.58 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.995 1.318 . . . . 0.0 107.822 167.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.75 177.3 9.21 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.507 1.123 . . . . 0.0 110.709 -170.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -128.06 110.47 12.52 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.07 1.348 . . . . 0.0 108.54 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -68.58 88.36 0.34 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 167.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -134.21 20.7 3.72 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.418 1.487 . . . . 0.0 110.41 168.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.0 m -132.63 150.96 52.08 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 124.718 1.207 . . . . 0.0 108.431 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.16 55.91 0.67 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.146 1.378 . . . . 0.0 110.121 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -126.67 175.05 8.25 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.562 1.545 . . . . 0.0 108.506 167.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.3 p -111.28 172.44 6.88 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.966 1.306 . . . . 0.0 109.578 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -34.12 67.79 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.866 -1.146 . . . . 0.0 111.823 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.45 -47.46 73.07 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.351 1.06 . . . . 0.0 110.606 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.443 HE21 ' CD1' ' A' ' 46' ' ' LEU . 33.3 mt-30 -58.51 -33.1 69.47 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.121 0.486 . . . . 0.0 110.454 -178.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mp -71.08 19.92 0.05 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.784 2.033 . . . . 0.0 113.131 172.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.31 -61.47 1.93 Allowed 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 120.284 1.402 . . . . 0.0 108.804 162.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.35 -37.81 80.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 122.244 1.021 . . . . 0.0 109.072 -171.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.64 -25.17 67.24 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.925 1.29 . . . . 0.0 111.552 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -89.94 -30.35 17.89 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.053 0.941 . . . . 0.0 111.744 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -62.74 -53.32 56.23 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.0 0.63 3.34 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.328 1.451 . . . . 0.0 113.308 -177.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.96 -2.6 13.52 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.07 1.348 . . . . 0.0 112.634 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -98.07 -49.66 4.67 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.917 0.887 . . . . 0.0 109.759 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.3 m -71.38 -21.31 62.03 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.48 0.657 . . . . 0.0 110.257 -172.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.42 162.98 40.72 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 126.549 1.94 . . . . 0.0 108.76 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.41 13.94 13.65 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.125 0.57 . . . . 0.0 111.822 -176.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -153.41 112.41 3.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.792 -1.193 . . . . 0.0 108.016 -172.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -79.96 103.65 10.0 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 121.219 -0.925 . . . . 0.0 108.566 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.4 m -76.94 91.88 3.63 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.564 0.746 . . . . 0.0 109.379 172.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 44.64 -76.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 129.566 3.146 . . . . 0.0 115.985 170.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -50.26 -39.14 44.14 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.73 1.15 . . . . 0.0 110.617 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.06 -26.18 67.38 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.142 -0.973 . . . . 0.0 108.833 -175.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -72.43 -56.79 4.86 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.768 -1.207 . . . . 0.0 109.468 172.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.7 m -62.07 -18.48 60.82 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -65.01 -68.44 0.36 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.715 1.606 . . . . 0.0 109.36 -171.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mp -61.17 -30.71 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.78 -1.81 4.31 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.135 1.374 . . . . 0.0 114.485 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -129.63 -10.41 4.5 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 120.745 1.612 . . . . 0.0 112.559 163.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.47 -31.65 42.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -172.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.5 mt -109.11 -88.37 0.49 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 117.909 -1.043 . . . . 0.0 113.063 -168.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.78 41.29 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 1 C-N-CA 133.573 4.749 . . . . 0.0 107.976 -170.51 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.443 ' CD1' HE21 ' A' ' 18' ' ' GLN . 6.2 mp -119.26 166.99 12.3 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 119.766 -1.834 . . . . 0.0 109.07 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -133.42 140.33 47.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -54.31 -40.32 67.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.509 1.123 . . . . 0.0 111.498 -175.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 p -54.94 -39.63 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 C-N-CA 124.616 1.166 . . . . 0.0 111.851 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -38.39 40.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.469 0.577 . . . . 0.0 109.995 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.62 -39.16 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 123.828 0.851 . . . . 0.0 110.784 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -59.17 -26.61 64.93 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.74 1.154 . . . . 0.0 112.344 -177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.7 mt -85.05 -21.62 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.307 1.043 . . . . 0.0 110.289 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -59.32 -39.91 84.6 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 120.492 -1.38 . . . . 0.0 109.233 172.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -66.23 -37.5 85.68 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 119.572 -0.251 . . . . 0.0 110.856 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -40.67 63.91 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.231 1.012 . . . . 0.0 110.225 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -74.33 -52.81 11.14 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.029 0.932 . . . . 0.0 110.566 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -70.26 6.48 1.31 Allowed 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.037 -1.039 . . . . 0.0 113.496 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -102.48 0.26 33.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.153 1.381 . . . . 0.0 112.422 173.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.69 -10.65 24.61 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.192 -0.942 . . . . 0.0 113.157 -166.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -53.07 -48.37 67.75 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 123.542 0.737 . . . . 0.0 112.109 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -71.58 -39.67 70.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.239 0.927 . . . . 0.0 109.942 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -47.86 78.67 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 123.902 0.881 . . . . 0.0 111.501 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -23.61 67.39 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -176.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.3 mt -90.72 -52.51 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -75.55 42.93 0.23 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.549 1.94 . . . . 0.0 109.272 172.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.66 115.45 28.06 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.223 1.809 . . . . 0.0 107.001 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.76 63.95 0.22 Allowed Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -72.66 178.44 4.13 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 117.685 0.743 . . . . 0.0 109.961 164.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.4 p -144.26 170.63 8.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 150.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.165 -1.874 . . . . 0.0 107.299 -177.337 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.9 85.03 50.3 Favored Pre-proline 0 C--O 1.236 0.382 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 173.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.53 159.8 34.8 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 121.765 1.643 . . . . 0.0 109.904 166.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.17 -163.5 32.09 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 124.51 1.052 . . . . 0.0 110.832 -172.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.4 75.33 0.65 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -131.53 126.34 34.65 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 171.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -142.26 136.01 29.38 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.728 0.811 . . . . 0.0 109.503 -174.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 127.89 33.78 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.614 1.566 . . . . 0.0 109.078 176.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.3 147.83 21.19 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.829 2.052 . . . . 0.0 107.655 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -71.19 87.6 0.8 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 119.373 0.988 . . . . 0.0 109.213 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -133.44 34.45 3.49 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.227 0.611 . . . . 0.0 110.788 174.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.0 m -58.61 131.08 49.75 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 121.622 -0.674 . . . . 0.0 111.971 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.73 92.77 3.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.371 1.868 . . . . 0.0 106.539 169.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -124.08 -172.05 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 166.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.51 152.38 41.41 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.533 1.133 . . . . 0.0 109.017 -172.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -54.58 -4.35 0.06 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 128.312 2.645 . . . . 0.0 114.57 166.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -94.61 -24.84 17.03 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 168.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -100.81 -21.66 15.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 125.878 1.671 . . . . 0.0 111.407 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.6 mt -69.91 -16.94 63.3 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 116.727 -1.606 . . . . 0.0 112.669 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.0 -48.51 79.8 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 120.866 1.666 . . . . 0.0 110.598 -173.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -73.02 -29.49 63.05 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.853 1.261 . . . . 0.0 110.113 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.72 -57.16 8.7 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.924 1.29 . . . . 0.0 108.846 175.313 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -67.98 -23.8 65.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.591 1.556 . . . . 0.0 112.078 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.69 -58.14 7.09 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.77 -40.38 97.11 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.01 -18.4 60.41 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.282 -0.866 . . . . 0.0 113.133 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -73.44 -27.32 61.36 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 120.15 1.341 . . . . 0.0 111.521 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 m -110.94 -19.98 12.6 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.466 1.106 . . . . 0.0 111.05 -166.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.48 136.67 22.39 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 121.457 -0.777 . . . . 0.0 109.077 171.256 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.19 -9.93 59.69 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.764 0.826 . . . . 0.0 111.912 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -146.59 120.81 9.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.506 1.522 . . . . 0.0 108.319 -174.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.9 mt -84.35 117.19 23.44 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 126.422 1.889 . . . . 0.0 108.642 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 m -87.37 59.63 5.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.742 0.782 . . . . 0.0 112.458 -170.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tt 72.89 -56.0 0.67 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 128.635 2.774 . . . . 0.0 111.325 173.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -60.88 -40.57 93.53 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 126.177 1.791 . . . . 0.0 111.53 177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -80.62 -27.26 37.35 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.242 1.417 . . . . 0.0 109.1 -171.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -35.65 81.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.567 -0.708 . . . . 0.0 109.736 167.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -85.13 22.1 1.52 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.775 1.23 . . . . 0.0 110.978 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -88.55 -80.29 0.29 Allowed 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 161.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.7 mp -53.5 -44.91 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.815 0.846 . . . . 0.0 111.185 -167.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.12 -14.39 36.35 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -125.99 16.87 7.92 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.188 0.904 . . . . 0.0 110.98 175.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.0 -38.73 3.02 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.199 1.0 . . . . 0.0 112.035 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.7 mt -111.83 -89.73 0.51 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.475 1.034 . . . . 0.0 111.661 -174.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.96 31.59 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.703 2.401 . . . . 0.0 109.105 -166.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.01 138.19 51.44 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.8 m -86.46 140.69 29.72 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.524 -0.274 . . . . 0.0 111.653 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -44.11 -53.01 6.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.042 2.537 . . . . 0.0 111.532 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.5 -44.92 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 126.137 1.775 . . . . 0.0 110.641 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -45.96 69.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 122.957 0.503 . . . . 0.0 110.169 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.9 t -57.76 -34.65 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 124.039 0.935 . . . . 0.0 109.918 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -53.44 -39.43 64.42 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.019 -1.051 . . . . 0.0 111.041 174.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -79.1 -32.37 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 CA-C-O 116.91 -1.519 . . . . 0.0 111.266 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 24.0 t90 -51.33 -43.99 61.88 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 121.364 1.893 . . . . 0.0 108.899 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -65.98 -14.95 62.52 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -34.97 79.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 122.531 2.423 . . . . 0.0 110.043 169.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -76.6 -33.75 58.42 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.535 -0.728 . . . . 0.0 111.095 -167.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -63.2 0.31 0.65 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -166.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -95.05 -2.36 50.34 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.971 1.308 . . . . 0.0 112.647 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.02 -21.49 27.75 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.897 1.226 . . . . 0.0 113.457 -172.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -46.68 -44.0 18.23 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.926 1.29 . . . . 0.0 113.126 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -78.61 -42.0 30.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.331 0.652 . . . . 0.0 110.461 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -58.13 -32.42 68.12 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.951 173.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -54.86 41.73 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 120.064 1.302 . . . . 0.0 111.54 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 51.1 mt -76.72 -58.17 4.81 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -176.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -79.27 51.26 1.17 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.54 96.27 6.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 167.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.31 57.85 4.51 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-O 118.776 -1.013 . . . . 0.0 110.591 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -152.26 119.65 5.97 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 124.755 1.222 . . . . 0.0 107.928 -174.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.62 169.42 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.016 1.726 . . . . 0.0 112.607 172.078 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.517 -0.3 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.92 56.89 13.22 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.554 1.942 . . . . 0.0 115.559 153.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -71.97 -5.39 17.0 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.76 2.307 . . . . 0.0 113.764 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.04 -178.84 52.11 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -171.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.47 144.09 7.91 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.547 1.07 . . . . 0.0 110.469 -169.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -162.85 131.05 3.85 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.906 1.682 . . . . 0.0 107.662 -169.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.1 p -161.71 176.76 10.6 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.052 0.941 . . . . 0.0 110.756 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.57 155.92 43.89 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.561 1.144 . . . . 0.0 109.169 164.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -90.96 151.85 20.93 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.689 0.396 . . . . 0.0 110.462 170.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -74.44 59.32 0.8 Allowed 'General case' 0 C--O 1.239 0.519 0 C-N-CA 128.304 2.642 . . . . 0.0 110.775 172.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -134.68 48.98 2.26 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 120.612 -1.305 . . . . 0.0 111.041 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 t -156.64 -170.44 3.33 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.156 0.982 . . . . 0.0 109.432 174.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.16 38.64 1.93 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 127.167 2.187 . . . . 0.0 108.338 169.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -68.56 162.16 26.39 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.144 0.497 . . . . 0.0 109.898 168.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 p -96.59 147.71 23.6 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.123 1.769 . . . . 0.0 107.482 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 t -56.78 -37.15 70.71 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 125.21 1.404 . . . . 0.0 110.38 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.41 -41.34 84.76 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.635 1.174 . . . . 0.0 111.51 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -86.3 -13.88 45.34 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.78 -0.575 . . . . 0.0 111.164 -167.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -70.85 -17.52 62.73 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.744 1.217 . . . . 0.0 113.059 171.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.88 -48.33 71.89 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 120.323 1.42 . . . . 0.0 110.582 -173.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.55 -37.06 79.61 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.177 1.391 . . . . 0.0 110.757 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.2 -54.14 50.36 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.626 1.17 . . . . 0.0 108.823 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.01 -40.3 94.7 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.249 0.62 . . . . 0.0 111.554 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -51.49 -44.65 62.55 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 124.926 1.291 . . . . 0.0 111.063 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.93 -49.36 25.05 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.815 -0.553 . . . . 0.0 110.751 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -19.28 57.28 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -53.49 -63.06 1.27 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.793 2.037 . . . . 0.0 110.137 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 m -71.87 -63.29 1.16 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 173.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' C ' ' H ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -112.74 95.43 5.41 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -161.258 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 11.35 0.08 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.921 1.688 . . . . 0.0 112.818 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.421 ' H ' ' C ' ' A' ' 29' ' ' LYS . 17.0 p90 -148.63 147.62 29.17 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 124.713 1.205 . . . . 0.0 108.239 175.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.15 154.97 19.11 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.683 1.193 . . . . 0.0 109.157 175.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.0 t -108.92 84.84 1.99 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.465 1.906 . . . . 0.0 107.143 170.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 43.42 -76.25 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 129.891 3.277 . . . . 0.0 114.941 168.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.2 m -44.65 -40.44 5.86 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.468 1.907 . . . . 0.0 111.375 169.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -63.47 -36.95 85.43 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.382 1.073 . . . . 0.0 108.861 -177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -61.37 -40.23 93.56 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -73.88 -6.03 44.7 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 116.602 -1.666 . . . . 0.0 113.215 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.61 -73.19 0.11 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-N 121.188 1.813 . . . . 0.0 108.601 174.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.33 -43.22 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 118.294 0.497 . . . . 0.0 111.076 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.7 -39.42 73.82 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 117.997 -1.002 . . . . 0.0 111.924 -175.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -98.7 -8.21 26.53 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.646 1.178 . . . . 0.0 111.827 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.02 -49.56 8.2 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.1 mt -92.92 -86.09 0.25 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.268 -168.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 174.42 14.42 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.687 1.995 . . . . 0.0 112.655 -167.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mp -76.85 -174.25 2.99 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.709 -1.245 . . . . 0.0 109.023 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -123.99 121.97 36.69 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -51.65 -32.78 30.76 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.217 1.807 . . . . 0.0 113.984 -173.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 p -64.5 -50.39 76.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.52 0.6 . . . . 0.0 110.397 175.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -45.48 84.37 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.996 0.903 . . . . 0.0 108.571 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.98 -50.27 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 125.046 1.339 . . . . 0.0 109.594 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -62.98 -7.87 6.13 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.07 -31.32 2.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 119.775 1.17 . . . . 0.0 111.314 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -51.74 -44.02 63.11 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.424 0.689 . . . . 0.0 109.396 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -80.0 -36.99 35.14 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.217 176.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -50.69 -38.46 47.05 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.529 1.532 . . . . 0.0 112.349 -171.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -56.13 -38.78 71.26 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.85 -0.595 . . . . 0.0 111.872 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -69.2 -13.38 62.37 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.597 1.089 . . . . 0.0 112.685 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -99.68 -32.68 10.94 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 119.877 1.217 . . . . 0.0 110.903 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.11 -7.9 18.8 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -165.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -53.11 -38.59 62.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.619 1.554 . . . . 0.0 113.616 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -74.81 -44.11 51.11 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.189 -0.945 . . . . 0.0 109.485 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -53.15 -40.42 64.28 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.89 0.876 . . . . 0.0 110.578 172.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -64.92 -7.89 13.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 120.444 1.475 . . . . 0.0 114.792 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.3 mt -100.34 -52.88 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 161.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.98 26.68 0.12 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.105 2.162 . . . . 0.0 112.905 -171.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.42 121.33 4.63 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 125.831 1.652 . . . . 0.0 108.009 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.03 175.86 50.33 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.304 0.954 . . . . 0.0 112.254 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -79.12 -175.08 4.41 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.386 1.875 . . . . 0.0 111.033 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.5 150.0 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 126.875 2.07 . . . . 0.0 106.42 164.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-N 119.562 1.074 . . . . 0.0 109.134 -163.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.99 78.46 17.33 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 123.407 0.683 . . . . 0.0 111.204 -167.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.42 -19.14 61.28 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 122.065 1.843 . . . . 0.0 111.808 174.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.77 173.51 23.53 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 108.22 -1.952 . . . . 0.0 108.22 164.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.28 151.61 28.41 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 -174.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -159.69 131.43 6.22 Favored 'General case' 0 CA--C 1.521 -0.148 0 O-C-N 121.45 -1.029 . . . . 0.0 108.617 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.3 t -146.94 142.26 27.37 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 160.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.0 131.08 0.03 OUTLIER 'General case' 0 C--O 1.235 0.326 0 C-N-CA 129.421 3.088 . . . . 0.0 104.421 -176.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -73.43 70.8 1.26 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.511 1.05 . . . . 0.0 108.867 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -80.4 90.83 5.64 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.99 1.83 19.57 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.071 -1.018 . . . . 0.0 112.211 176.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.4 m -138.49 154.97 48.82 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.473 1.033 . . . . 0.0 110.052 -169.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.86 33.75 0.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.15 1.78 . . . . 0.0 113.09 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -120.32 -179.24 3.89 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.219 0.918 . . . . 0.0 110.447 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 p -126.2 169.98 12.29 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.775 1.63 . . . . 0.0 108.529 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 t -69.01 -34.55 75.44 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.528 0.603 . . . . 0.0 111.142 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -64.98 -47.0 79.14 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -68.74 -8.4 42.6 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.12 -2.95 48.9 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.751 1.62 . . . . 0.0 112.014 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.27 -57.22 5.12 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 120.449 1.477 . . . . 0.0 110.893 -167.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.35 -39.79 95.5 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.592 1.157 . . . . 0.0 109.437 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.7 tp -64.24 -33.5 75.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 127.089 2.156 . . . . 0.0 110.808 -173.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -83.92 -35.17 24.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.382 0.673 . . . . 0.0 112.721 169.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -69.78 -46.24 66.2 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 118.873 0.76 . . . . 0.0 109.627 -170.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -64.91 -16.89 63.82 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.65 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.61 -4.54 27.72 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.193 0.906 . . . . 0.0 112.904 171.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -82.66 -30.75 29.1 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.639 1.109 . . . . 0.0 112.436 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.6 m -119.8 -12.87 9.15 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -169.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.43 169.43 17.7 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.416 1.886 . . . . 0.0 106.944 160.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.03 18.4 11.68 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.567 0.622 . . . . 0.0 111.878 -174.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -160.18 97.45 1.25 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 mp -56.33 101.59 0.06 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 167.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 m -147.85 178.32 8.6 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 128.485 2.714 . . . . 0.0 107.324 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? 62.78 -86.11 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 128.563 2.745 . . . . 0.0 112.821 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 t -103.1 -26.88 12.87 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 173.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.55 -23.55 37.14 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 121.299 -0.876 . . . . 0.0 109.576 -155.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -62.21 -45.39 93.55 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 170.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 m -77.41 -25.42 50.77 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.977 0.911 . . . . 0.0 111.103 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -60.62 -63.01 1.45 Allowed 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 124.264 1.025 . . . . 0.0 108.442 -170.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 mp -67.33 -39.69 83.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -176.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.61 -26.54 65.54 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 118.113 -0.946 . . . . 0.0 112.023 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -120.07 20.34 12.11 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.091 0.956 . . . . 0.0 111.709 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.4 -34.61 2.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 117.161 -1.4 . . . . 0.0 113.522 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.1 mt -97.21 -88.78 0.29 Allowed 'General case' 0 C--N 1.346 0.417 0 CA-C-N 120.423 1.465 . . . . 0.0 109.925 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -171.42 24.99 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 130.097 3.359 . . . . 0.0 111.382 -169.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.71 -178.99 3.81 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -175.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t -146.08 153.17 40.4 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.31 -41.61 97.28 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.004 0.922 . . . . 0.0 111.104 -170.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.446 ' O ' ' HE2' ' A' ' 52' ' ' LYS . 14.5 p -51.9 -33.49 15.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 C-N-CA 125.847 1.659 . . . . 0.0 112.741 174.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.74 -41.38 14.18 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 118.496 0.589 . . . . 0.0 110.557 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.05 -34.45 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 O-C-N 121.377 -0.827 . . . . 0.0 110.887 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 49' ' ' VAL . 40.5 pttt -55.38 -34.38 64.28 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.828 1.194 . . . . 0.0 111.82 176.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.4 mt -82.38 -23.79 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.553 1.141 . . . . 0.0 109.325 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -61.44 -35.76 78.47 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 120.449 -1.407 . . . . 0.0 110.122 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -66.33 -18.03 65.11 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.837 -0.54 . . . . 0.0 111.695 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.33 3.92 1.12 Allowed 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.48 -1.388 . . . . 0.0 112.432 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -115.92 -18.62 10.67 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 124.701 1.2 . . . . 0.0 112.255 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -80.03 15.46 1.48 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -162.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -107.47 2.53 24.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.126 1.37 . . . . 0.0 113.017 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.54 -10.37 35.05 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 119.546 1.066 . . . . 0.0 112.168 -169.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -58.14 -48.76 79.27 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 119.49 1.041 . . . . 0.0 111.567 -175.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -75.32 -7.64 54.51 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 120.758 -1.214 . . . . 0.0 112.174 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.83 -45.62 8.69 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.714 1.206 . . . . 0.0 109.656 175.197 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -64.61 -6.79 8.39 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.891 1.678 . . . . 0.0 113.641 171.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mt -120.8 -1.97 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 128.449 2.7 . . . . 0.0 110.299 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.07 72.18 1.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.38 1.472 . . . . 0.0 107.74 162.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.5 -176.77 4.86 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.681 1.993 . . . . 0.0 109.775 166.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.42 98.62 2.34 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 107.774 -2.131 . . . . 0.0 107.774 170.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -153.02 40.4 0.55 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.708 1.203 . . . . 0.0 111.599 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.1 m -131.58 172.96 15.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 168.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.247 0.926 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -152.595 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.8 69.07 1.48 Allowed Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.79 1.636 . . . . 0.0 112.623 -176.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -71.1 178.03 5.85 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 124.102 3.202 . . . . 0.0 111.685 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.33 -166.14 38.86 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.8 -6.94 34.42 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 117.99 -1.45 . . . . 0.0 114.635 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 104.08 11.6 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 120.6 2.2 . . . . 0.0 109.094 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 m -57.82 111.04 1.02 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.7 105.51 4.0 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.09 0.956 . . . . 0.0 109.467 -176.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 110.0 1.18 Allowed 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.695 1.598 . . . . 0.0 110.158 177.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -76.58 92.62 3.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.243 0.929 . . . . 0.0 109.165 172.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -106.44 14.89 26.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.953 1.301 . . . . 0.0 114.188 -176.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.4 m -89.82 178.26 6.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.635 0.774 . . . . 0.0 110.619 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.05 44.49 2.19 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.954 1.702 . . . . 0.0 112.189 177.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -125.79 -166.02 1.5 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.9 1.68 . . . . 0.0 109.271 174.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.6 p -132.65 164.15 27.36 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.007 1.323 . . . . 0.0 108.532 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.3 p -65.6 -14.85 62.0 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.414 -0.804 . . . . 0.0 112.472 173.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -98.4 -4.88 33.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.878 1.671 . . . . 0.0 111.21 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -107.21 -30.94 8.45 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.64 2.376 . . . . 0.0 109.435 169.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.75 -4.26 11.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.431 1.092 . . . . 0.0 112.837 171.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -45.2 76.93 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 120.158 1.345 . . . . 0.0 111.061 -173.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.6 -26.09 12.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 123.399 0.437 . . . . 0.0 109.938 -175.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.08 -49.22 78.5 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.308 1.043 . . . . 0.0 110.714 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -65.73 -25.87 67.48 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 121.895 -0.503 . . . . 0.0 111.852 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -70.28 -13.02 61.98 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.943 1.297 . . . . 0.0 111.643 -177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -49.08 79.23 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 118.82 0.736 . . . . 0.0 109.189 173.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.11 -1.2 11.54 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 126.359 1.864 . . . . 0.0 113.804 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -98.35 -0.97 42.72 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.126 0.971 . . . . 0.0 111.658 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.16 -32.66 0.78 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.392 1.077 . . . . 0.0 111.956 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -133.13 177.2 7.85 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 126.634 1.974 . . . . 0.0 105.928 169.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -140.98 27.05 2.0 Favored 'General case' 0 N--CA 1.423 -1.783 0 C-N-CA 123.253 0.621 . . . . 0.0 110.96 167.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -148.48 62.77 1.08 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.936 1.694 . . . . 0.0 108.626 -166.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.66 109.3 0.6 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.946 1.298 . . . . 0.0 110.701 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.3 t -65.03 176.35 1.28 Allowed 'General case' 0 C--O 1.238 0.473 0 C-N-CA 125.834 1.654 . . . . 0.0 111.229 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -54.95 27.56 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.88 1.272 . . . . 0.0 109.072 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -64.88 -31.08 72.14 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.066 0.946 . . . . 0.0 111.692 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.83 -39.73 23.56 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.691 0.796 . . . . 0.0 109.062 -167.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -56.55 -47.14 80.09 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 170.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.2 m -65.79 -2.71 3.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.776 1.63 . . . . 0.0 114.493 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -74.92 -80.18 0.08 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 120.541 1.519 . . . . 0.0 106.959 166.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -52.38 -43.4 40.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 118.628 0.649 . . . . 0.0 111.308 -176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.29 -10.81 57.39 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-O 118.294 -0.86 . . . . 0.0 112.817 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -133.79 36.67 3.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 120.115 1.325 . . . . 0.0 109.001 170.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.04 -63.43 1.11 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 118.247 -0.883 . . . . 0.0 109.329 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.05 -86.95 0.08 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -169.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -164.83 8.76 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.761 2.425 . . . . 0.0 111.305 -157.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 mp -105.94 141.87 36.6 Favored 'General case' 0 CA--C 1.522 -0.115 0 O-C-N 120.446 -1.408 . . . . 0.0 108.22 -167.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 m -77.69 140.63 39.57 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 170.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.29 -47.95 13.02 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.866 1.666 . . . . 0.0 111.002 170.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.8 t -59.06 -62.68 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.31 0.644 . . . . 0.0 109.532 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -35.22 64.03 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.828 0.851 . . . . 0.0 111.829 -171.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.8 -34.86 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 123.134 0.574 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -55.86 -37.21 68.47 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 120.721 -1.237 . . . . 0.0 112.135 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -81.12 -18.06 11.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 O-C-N 121.58 -0.7 . . . . 0.0 110.912 -173.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -58.6 -40.78 84.22 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 120.396 -1.44 . . . . 0.0 109.815 171.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -66.89 -26.92 67.11 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.259 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.37 -19.63 56.43 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.723 1.609 . . . . 0.0 110.831 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -87.01 -50.34 6.72 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 123.758 0.823 . . . . 0.0 111.305 167.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -68.97 -3.24 12.16 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -173.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -91.82 -7.98 47.91 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.894 1.225 . . . . 0.0 111.987 174.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.37 -21.16 46.11 Favored 'General case' 0 N--CA 1.461 0.122 0 O-C-N 121.07 -1.019 . . . . 0.0 112.259 -164.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -54.1 -61.01 2.58 Favored 'General case' 0 C--N 1.337 0.064 0 CA-C-N 118.731 0.696 . . . . 0.0 110.602 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -63.94 -38.28 90.52 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.613 -170.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.72 -60.73 2.93 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.842 1.257 . . . . 0.0 109.965 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -61.02 -25.6 67.02 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.925 -174.279 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.58 -8.47 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 125.083 1.353 . . . . 0.0 110.413 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 36.51 4.48 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.85 2.06 . . . . 0.0 107.883 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.76 108.55 19.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 175.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.63 61.35 0.01 OUTLIER Glycine 0 CA--C 1.521 0.413 0 N-CA-C 111.748 -0.541 . . . . 0.0 111.748 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -146.69 176.19 10.04 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -78.88 119.27 27.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 170.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.6 m . . . . . 0 C--O 1.249 1.03 0 C-N-CA 128.924 2.89 . . . . 0.0 114.601 -172.783 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.31 85.33 6.35 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 125.714 1.606 . . . . 0.0 107.845 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.4 142.61 41.26 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.804 1.67 . . . . 0.0 109.597 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.0 171.86 41.02 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.72 1.153 . . . . 0.0 110.255 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.73 153.65 38.74 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -129.12 162.69 27.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.205 1.402 . . . . 0.0 109.049 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.7 m -122.57 167.93 12.79 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 122.177 0.989 . . . . 0.0 112.265 -162.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.78 98.05 4.03 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -133.32 175.56 9.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.463 1.105 . . . . 0.0 109.491 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -65.47 88.71 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 168.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -127.01 25.07 6.31 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.927 1.691 . . . . 0.0 110.307 -176.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -51.33 147.31 5.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.046 2.138 . . . . 0.0 110.105 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.444 ' H ' ' NE2' ' A' ' 50' ' ' GLN . . . -112.54 52.47 0.77 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 124.537 1.135 . . . . 0.0 110.429 -177.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -120.32 -168.78 1.68 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.903 0.881 . . . . 0.0 110.606 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.4 p -139.67 169.25 18.07 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.648 1.579 . . . . 0.0 108.277 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.99 -25.87 61.14 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.115 0.87 . . . . 0.0 112.151 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -58.51 -58.95 6.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 169.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -56.8 -46.45 81.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.561 0.745 . . . . 0.0 111.989 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.36 -22.3 63.11 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 117.352 -1.309 . . . . 0.0 113.558 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.69 -34.38 71.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 120.437 1.471 . . . . 0.0 111.158 -175.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -76.97 -36.46 56.46 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.836 -0.54 . . . . 0.0 110.481 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.69 -36.92 85.85 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 126.583 1.953 . . . . 0.0 110.518 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -67.92 -49.42 61.95 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.74 1.216 . . . . 0.0 110.371 173.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -53.7 -48.87 69.13 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.868 0.867 . . . . 0.0 112.643 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.82 -38.44 78.63 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.355 0.41 . . . . 0.0 111.038 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -15.5 63.67 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.518 -0.753 . . . . 0.0 112.284 -173.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -77.44 -18.55 57.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.699 0.681 . . . . 0.0 111.563 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.7 t -111.78 -49.67 2.97 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.493 1.117 . . . . 0.0 110.51 -174.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.36 104.31 7.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.353 1.061 . . . . 0.0 108.515 -172.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -68.77 0.08 4.74 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.465 1.906 . . . . 0.0 112.299 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -132.38 120.44 22.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.755 2.022 . . . . 0.0 106.452 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -86.9 116.28 24.86 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.5 m -75.69 -170.34 1.27 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.352 0.596 . . . . 0.0 110.239 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -53.34 20.54 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 120.736 -1.228 . . . . 0.0 111.322 -168.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.2 m -69.26 -32.11 71.08 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.182 0.447 . . . . 0.0 110.885 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.67 -34.18 76.41 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.98 -17.33 51.32 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 172.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.9 m -97.23 -4.13 39.52 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.033 -1.46 . . . . 0.0 113.249 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -56.6 -62.81 1.47 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.584 1.538 . . . . 0.0 108.424 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.44 -36.83 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.629 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.61 73.68 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.828 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -95.35 -2.29 49.48 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.127 0.876 . . . . 0.0 112.989 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.87 -59.15 2.59 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 -173.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.05 -89.15 0.44 Allowed 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 119.207 -0.997 . . . . 0.0 112.274 -162.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.61 7.67 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 129.496 3.118 . . . . 0.0 111.419 -160.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.67 177.14 4.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.055 -1.653 . . . . 0.0 108.59 -173.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.8 t -115.2 127.65 55.66 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 164.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -44.72 -45.1 9.66 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.708 2.003 . . . . 0.0 110.819 174.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.67 -19.69 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 126.292 1.837 . . . . 0.0 112.072 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.444 ' NE2' ' H ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -89.69 -39.99 12.83 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.795 1.638 . . . . 0.0 110.348 170.573 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -57.71 -43.12 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.98 0.912 . . . . 0.0 110.064 -177.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -50.97 -26.39 5.92 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.8 mp -87.72 -20.5 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 120.697 -1.252 . . . . 0.0 111.262 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -60.36 -35.8 76.54 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.751 -1.218 . . . . 0.0 109.313 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -68.92 -45.15 71.59 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.992 0.917 . . . . 0.0 110.039 174.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -14.72 17.93 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.092 1.357 . . . . 0.0 112.945 174.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -99.6 -12.02 20.45 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.936 1.295 . . . . 0.0 112.426 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -94.13 -13.59 26.59 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.381 0.991 . . . . 0.0 111.338 168.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.71 -44.3 27.53 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.06 1.344 . . . . 0.0 112.487 -175.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.56 1.87 51.77 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 122.978 0.511 . . . . 0.0 111.855 -170.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.91 -55.38 23.7 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.382 0.992 . . . . 0.0 110.06 -177.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -72.65 -26.05 61.5 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.658 -0.651 . . . . 0.0 111.699 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -63.48 -46.99 83.6 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.862 1.21 . . . . 0.0 110.757 173.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . 0.288 0.0 OUTLIER -60.22 -34.26 73.41 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.164 0.893 . . . . 0.0 111.406 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.9 mt -72.07 -63.34 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -75.14 35.34 0.11 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.929 2.092 . . . . 0.0 112.804 -173.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.25 -173.23 0.38 Allowed 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.32 1.048 . . . . 0.0 110.036 165.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.92 -179.94 34.24 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.61 -1.177 . . . . 0.0 112.187 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -149.21 165.89 30.52 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 126.446 1.898 . . . . 0.0 109.298 -166.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.8 154.21 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 167.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.241 0.656 0 CA-C-O 116.772 -1.585 . . . . 0.0 107.812 172.322 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 N--CA 1.471 0.616 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.776 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.55 54.82 11.35 Favored Pre-proline 0 CA--C 1.541 0.598 0 CA-C-N 120.803 1.638 . . . . 0.0 115.016 156.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.61 145.64 58.62 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.891 1.727 . . . . 0.0 110.893 -176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.02 171.02 16.27 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 170.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.98 139.42 10.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 108.352 -1.899 . . . . 0.0 108.352 -171.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 74.0 3.53 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.614 0.766 . . . . 0.0 110.379 -171.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -157.98 122.6 4.27 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -133.04 69.62 1.48 Allowed 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.438 1.495 . . . . 0.0 109.324 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 mtm-85 -66.37 101.6 0.76 Allowed 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 172.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -140.12 61.34 1.53 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.849 1.26 . . . . 0.0 111.223 -172.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -69.66 32.13 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.628 2.085 . . . . 0.0 116.628 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.735 ' HG1' ' NE2' ' A' ' 50' ' ' GLN . 7.2 t -125.98 165.77 18.17 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 123.448 0.699 . . . . 0.0 112.057 -175.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.37 23.3 13.36 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.583 1.953 . . . . 0.0 110.933 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -71.85 144.72 48.98 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.042 -1.036 . . . . 0.0 108.875 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.24 159.92 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 127.211 2.205 . . . . 0.0 109.409 -177.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.4 t -55.32 -28.2 52.08 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.558 1.143 . . . . 0.0 110.979 169.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -71.08 -23.82 62.19 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.818 1.19 . . . . 0.0 111.549 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -97.73 -12.9 21.79 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.756 1.222 . . . . 0.0 112.215 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mp -88.47 -6.64 57.5 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.893 -1.051 . . . . 0.0 111.946 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.35 -60.86 3.14 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.248 1.019 . . . . 0.0 109.768 -177.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.42 -30.67 71.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.163 1.385 . . . . 0.0 111.074 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mt -64.8 -48.89 72.8 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 124.383 1.073 . . . . 0.0 109.619 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -66.23 -35.06 79.44 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.591 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -64.05 -44.09 93.54 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.557 1.143 . . . . 0.0 110.159 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.15 -20.69 64.03 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.954 1.702 . . . . 0.0 112.323 172.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.4 0.11 57.08 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.301 1.04 . . . . 0.0 112.015 173.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.41 -52.55 17.97 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.865 1.211 . . . . 0.0 109.227 170.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.5 m -66.18 -54.09 29.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.198 0.999 . . . . 0.0 110.669 -173.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HE2' HD11 ' A' ' 32' ' ' LEU . 2.3 pptp? -132.13 158.32 41.96 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.014 -159.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -88.45 -19.16 26.87 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -164.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -139.61 -167.54 2.29 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 124.388 1.075 . . . . 0.0 108.863 -150.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 HD11 ' HE2' ' A' ' 29' ' ' LYS . 2.3 tp -146.59 80.82 1.56 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -74.49 73.88 1.93 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.959 2.504 . . . . 0.0 109.557 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 44.13 -86.1 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 128.774 2.83 . . . . 0.0 112.054 -165.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.0 m -48.07 -32.29 6.57 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 129.192 2.997 . . . . 0.0 114.13 -163.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.34 -39.4 86.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.454 1.102 . . . . 0.0 108.991 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -64.02 -38.6 91.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.234 -0.916 . . . . 0.0 112.126 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.7 m -73.17 -11.08 60.4 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.738 1.215 . . . . 0.0 110.18 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -70.79 -69.63 0.35 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 166.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -53.67 -46.39 61.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 118.417 0.553 . . . . 0.0 110.135 -173.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.2 -12.15 48.2 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -124.09 -2.25 8.17 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.379 0.99 . . . . 0.0 111.415 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.15 -49.14 4.0 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.655 1.182 . . . . 0.0 109.778 -176.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mt -88.57 -88.14 0.15 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.967 -174.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -164.05 13.52 0.05 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 130.691 3.597 . . . . 0.0 111.993 -170.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.99 -176.08 3.45 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.518 -1.364 . . . . 0.0 111.43 -163.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.48 117.74 21.86 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.912 1.685 . . . . 0.0 109.412 -168.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.85 -35.69 61.77 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.086 1.312 . . . . 0.0 111.886 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.61 -52.26 63.04 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.735 ' NE2' ' HG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -67.91 -43.85 78.29 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 123.069 0.548 . . . . 0.0 110.501 -176.625 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.04 -28.3 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 O-C-N 120.956 -1.09 . . . . 0.0 109.971 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -50.31 -34.52 23.9 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.378 1.071 . . . . 0.0 111.512 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.61 -29.16 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 119.011 0.823 . . . . 0.0 111.153 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -53.78 -38.98 65.03 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 121.01 -1.056 . . . . 0.0 111.607 -172.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -89.37 -36.38 15.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.217 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.7 -33.98 36.63 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.824 1.65 . . . . 0.0 111.541 175.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.02 -18.32 45.35 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -106.39 -1.28 23.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 119.281 0.946 . . . . 0.0 111.142 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -69.21 -27.45 65.5 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.972 1.26 . . . . 0.0 112.221 -173.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -103.12 12.61 35.61 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.882 0.873 . . . . 0.0 110.714 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -55.89 -54.33 45.9 Favored 'General case' 0 N--CA 1.462 0.128 0 O-C-N 121.349 -0.845 . . . . 0.0 109.512 174.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -62.51 -47.56 83.41 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.725 0.41 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -27.41 68.37 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 117.836 -1.078 . . . . 0.0 112.308 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -10.66 32.18 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.687 1.585 . . . . 0.0 113.702 172.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.5 mt -127.35 -10.58 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 125.456 1.502 . . . . 0.0 109.946 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -127.54 30.81 5.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.693 2.397 . . . . 0.0 110.196 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.54 165.53 22.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 121.311 -0.868 . . . . 0.0 108.706 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.15 168.15 14.74 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 126.289 1.899 . . . . 0.0 109.352 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -90.3 -173.52 3.84 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.53 100.89 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.241 0.626 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 120.919 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 117.264 -1.35 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.97 72.04 2.71 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 120.461 1.482 . . . . 0.0 111.136 172.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -86.93 143.91 7.09 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.2 165.22 38.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.616 -0.678 . . . . 0.0 113.913 176.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.71 154.94 9.97 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 126.508 2.004 . . . . 0.0 111.596 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -151.77 105.62 3.14 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 126.949 2.1 . . . . 0.0 108.632 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.24 167.83 26.61 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.275 0.943 . . . . 0.0 111.27 175.147 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -116.64 84.86 2.21 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.804 1.642 . . . . 0.0 108.749 172.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -148.75 145.06 27.44 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.18 1.392 . . . . 0.0 109.08 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -71.48 43.06 0.08 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.259 1.424 . . . . 0.0 113.149 172.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -77.11 59.58 1.74 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.431 1.093 . . . . 0.0 109.832 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -64.26 130.99 46.04 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 170.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.8 48.24 1.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.608 1.563 . . . . 0.0 108.147 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -77.31 -165.92 0.66 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.13 0.972 . . . . 0.0 108.813 171.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.42 158.36 43.97 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 126.055 1.742 . . . . 0.0 106.585 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -59.88 -25.58 65.19 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.4 -10.96 60.45 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.166 0.986 . . . . 0.0 112.383 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -122.1 -17.21 7.29 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.739 1.216 . . . . 0.0 111.376 177.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.75 -3.25 37.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.844 171.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.59 -52.32 58.13 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 120.651 1.569 . . . . 0.0 109.166 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.94 -35.78 81.8 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.387 1.075 . . . . 0.0 110.677 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tp -66.43 -48.5 69.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.346 1.458 . . . . 0.0 109.339 -173.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -71.9 -33.4 68.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.53 -0.748 . . . . 0.0 112.06 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -56.24 -54.16 48.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 119.32 0.964 . . . . 0.0 109.672 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.21 -43.42 98.9 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.444 0.698 . . . . 0.0 109.793 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -11.12 39.18 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -83.61 -34.55 25.08 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.989 1.268 . . . . 0.0 109.81 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.75 -39.23 76.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.869 0.868 . . . . 0.0 109.61 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HZ1' ' HG3' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -158.39 161.58 37.56 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 123.762 0.825 . . . . 0.0 109.575 -169.357 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 6.49 22.24 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -163.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -141.88 127.64 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.673 1.189 . . . . 0.0 107.892 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -88.79 99.29 12.25 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -65.96 -179.28 0.7 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.725 2.01 . . . . 0.0 111.182 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -56.92 12.49 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.318 -0.864 . . . . 0.0 112.266 -167.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 t -64.31 -28.4 69.69 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.324 1.059 . . . . 0.0 110.401 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.428 ' HG3' ' HZ1' ' A' ' 29' ' ' LYS . 3.6 mm-40 -69.78 -32.73 71.37 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 -177.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -75.56 -16.28 60.27 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.066 1.747 . . . . 0.0 112.357 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -13.59 43.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.91 0.884 . . . . 0.0 112.394 171.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -62.27 -66.77 0.49 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.787 1.176 . . . . 0.0 110.644 -171.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.82 -36.91 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.083 0.953 . . . . 0.0 110.103 -174.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.79 -32.42 67.52 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -107.74 0.32 22.24 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.711 0.687 . . . . 0.0 111.442 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.19 -36.81 13.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.904 0.881 . . . . 0.0 110.086 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.1 mt -119.41 -87.22 0.64 Allowed 'General case' 0 C--N 1.342 0.27 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -163.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER 174.15 11.92 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.217 2.207 . . . . 0.0 113.503 -166.614 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -71.58 178.69 3.39 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.163 -0.961 . . . . 0.0 108.94 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.3 m -124.68 121.21 34.06 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.704 1.202 . . . . 0.0 109.015 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.03 -39.56 72.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.306 1.442 . . . . 0.0 112.893 -162.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.25 -41.97 88.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.946 -0.471 . . . . 0.0 109.774 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -40.54 83.56 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.901 1.28 . . . . 0.0 110.239 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.6 -45.77 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -52.32 -24.64 7.86 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.399 1.48 . . . . 0.0 113.353 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 mt -104.05 -21.36 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 124.35 1.06 . . . . 0.0 110.369 -172.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -52.1 -44.84 64.62 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.923 1.238 . . . . 0.0 108.345 166.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.3 -21.42 66.6 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.56 -21.71 66.15 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 120.641 1.564 . . . . 0.0 111.003 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -83.02 -62.91 1.47 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 125.356 1.462 . . . . 0.0 108.983 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.3 -6.67 3.37 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -169.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -95.16 11.67 31.46 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.089 0.956 . . . . 0.0 112.196 -177.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.28 -8.63 32.27 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.3 1.44 . . . . 0.0 112.108 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -50.34 -61.92 1.89 Allowed 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 119.605 1.093 . . . . 0.0 112.751 -172.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -64.94 -21.97 66.92 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.528 -0.733 . . . . 0.0 111.283 -174.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -71.57 -54.17 11.37 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 124.537 1.135 . . . . 0.0 110.907 171.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -54.18 -28.09 38.28 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.752 1.16 . . . . 0.0 111.944 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.1 -69.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -83.48 61.78 6.41 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.808 1.643 . . . . 0.0 109.685 -176.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -161.44 147.55 14.16 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.281 1.832 . . . . 0.0 107.462 159.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.35 79.71 1.44 Allowed Glycine 0 C--N 1.331 0.26 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -155.19 106.78 2.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.934 0.894 . . . . 0.0 108.834 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.9 m -136.69 148.77 26.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 169.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.034 0 C-N-CA 126.603 1.961 . . . . 0.0 107.254 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.65 63.69 7.72 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.341 1.856 . . . . 0.0 112.961 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.11 168.0 18.59 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.015 2.477 . . . . 0.0 112.289 177.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.58 82.26 0.05 OUTLIER Glycine 0 C--N 1.335 0.503 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -176.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.82 -161.92 28.09 Favored Glycine 0 CA--C 1.525 0.672 0 CA-C-N 118.037 0.918 . . . . 0.0 112.817 -169.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.81 152.99 45.61 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.759 1.224 . . . . 0.0 110.486 -174.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -151.95 175.6 12.33 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.507 1.523 . . . . 0.0 108.904 -175.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -131.81 134.13 45.45 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 125.476 1.511 . . . . 0.0 107.719 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -138.04 150.87 47.32 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 119.626 1.103 . . . . 0.0 110.559 168.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.95 48.31 1.21 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.478 1.511 . . . . 0.0 109.614 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -123.07 38.69 4.13 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.045 1.338 . . . . 0.0 109.363 -174.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.1 m -58.94 130.11 45.42 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 119.126 0.875 . . . . 0.0 109.731 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.65 88.99 2.87 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 128.313 2.645 . . . . 0.0 105.529 170.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -120.24 163.65 17.46 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 163.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.8 p -114.15 164.03 14.41 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 125.777 1.631 . . . . 0.0 109.263 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 t -56.78 -42.84 80.13 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.634 -0.666 . . . . 0.0 109.991 173.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -52.9 -29.54 28.99 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.922 1.289 . . . . 0.0 114.223 173.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -95.94 -11.82 26.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.375 2.27 . . . . 0.0 112.111 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -101.11 -12.82 18.5 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.224 1.409 . . . . 0.0 112.817 -175.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.5 -59.78 4.02 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.899 1.279 . . . . 0.0 110.009 -174.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -71.65 -41.36 68.86 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.309 1.844 . . . . 0.0 108.128 -173.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.5 tp -58.93 -50.52 73.74 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 127.113 2.165 . . . . 0.0 110.664 -174.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.22 -47.19 62.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.973 1.709 . . . . 0.0 109.89 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -56.67 -46.19 81.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 118.869 0.759 . . . . 0.0 110.941 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -13.57 62.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.451 -178.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.03 -7.95 59.67 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 119.209 0.913 . . . . 0.0 112.331 173.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -82.27 -44.31 16.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.926 0.89 . . . . 0.0 110.539 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 89.1 m -86.26 -21.11 27.55 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.09 0.859 . . . . 0.0 111.048 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.64 113.59 5.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.5 17.82 0.81 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.07 0.948 . . . . 0.0 111.107 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -147.99 141.88 25.81 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 128.245 2.618 . . . . 0.0 107.133 -170.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.6 mt -113.16 105.28 13.26 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.594 1.958 . . . . 0.0 109.356 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.0 m -68.51 96.77 0.72 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.624 1.17 . . . . 0.0 109.227 165.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 43.54 -80.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 129.548 3.139 . . . . 0.0 115.212 164.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.3 m -54.39 -34.66 61.72 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.615 0.766 . . . . 0.0 111.006 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -69.78 -14.82 62.96 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.157 0.983 . . . . 0.0 110.364 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -97.3 0.52 48.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.263 1.825 . . . . 0.0 112.373 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 p -101.92 -22.33 14.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.008 0.923 . . . . 0.0 110.89 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -66.93 -59.91 3.1 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 123.73 0.812 . . . . 0.0 109.945 -164.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.71 -30.37 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 121.524 -0.735 . . . . 0.0 109.134 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.52 -6.43 30.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.991 1.317 . . . . 0.0 113.907 174.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -138.44 8.41 2.64 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.038 1.29 . . . . 0.0 113.479 175.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.79 -47.25 3.16 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.538 1.535 . . . . 0.0 109.539 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.13 -89.5 0.17 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.737 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.97 24.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.597 2.359 . . . . 0.0 108.804 -166.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -111.7 173.35 6.39 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 -175.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 m -142.66 141.7 31.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 118.357 -0.83 . . . . 0.0 108.937 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -47.2 -46.36 23.94 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.037 0.935 . . . . 0.0 112.228 -173.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.9 p -53.94 -38.39 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 124.264 1.025 . . . . 0.0 111.655 -175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -42.15 14.61 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.082 1.353 . . . . 0.0 109.859 177.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.82 -39.5 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 O-C-N 121.526 -0.734 . . . . 0.0 110.208 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -56.41 -22.83 34.21 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.382 0.992 . . . . 0.0 113.447 -178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.9 mp -85.37 -20.98 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 O-C-N 120.243 -1.535 . . . . 0.0 111.435 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 36.5 t90 -59.1 -35.87 74.16 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.881 1.219 . . . . 0.0 109.491 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -72.06 -34.02 68.41 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.609 -0.682 . . . . 0.0 110.838 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -8.01 4.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.291 1.436 . . . . 0.0 111.705 171.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -121.73 -21.39 6.14 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 117.341 -1.314 . . . . 0.0 113.97 171.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -74.07 83.18 1.77 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 121.39 1.905 . . . . 0.0 110.679 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 75.19 13.33 3.21 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.321 2.648 . . . . 0.0 110.668 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.22 -12.9 14.06 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.723 0.809 . . . . 0.0 111.215 170.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.67 -49.85 64.41 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.484 1.038 . . . . 0.0 112.318 -168.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -81.17 -51.66 8.2 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.124 0.57 . . . . 0.0 109.464 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -45.68 -34.67 3.65 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.976 2.11 . . . . 0.0 113.213 -177.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -59.24 -52.3 66.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 119.562 1.074 . . . . 0.0 112.295 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mt -68.78 -51.54 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 27.52 0.05 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.243 1.817 . . . . 0.0 111.595 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.73 85.41 4.75 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 168.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.83 -109.54 3.05 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -150.46 86.38 1.4 Allowed 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.571 0.748 . . . . 0.0 110.105 -156.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 t -147.84 137.54 16.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 125.763 1.625 . . . . 0.0 107.359 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 C--O 1.248 0.999 0 N-CA-C 105.204 -2.147 . . . . 0.0 105.204 151.838 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.34 150.37 37.44 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 120.881 -1.137 . . . . 0.0 111.419 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -71.59 176.21 8.44 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.758 2.306 . . . . 0.0 109.218 159.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.5 -27.05 2.11 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.42 1.009 . . . . 0.0 111.535 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.55 -160.45 52.9 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-N 117.615 0.708 . . . . 0.0 111.681 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -45.36 114.54 0.76 Allowed 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.931 1.693 . . . . 0.0 110.834 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.58 123.28 12.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.454 1.101 . . . . 0.0 110.928 -178.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -96.74 150.11 21.07 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.074 0.949 . . . . 0.0 108.567 163.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -73.57 52.86 0.4 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.157 1.783 . . . . 0.0 111.39 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -75.4 35.38 0.12 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.951 1.7 . . . . 0.0 114.735 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -66.11 20.86 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.667 2.787 . . . . 0.0 115.542 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -65.73 124.21 21.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.678 1.191 . . . . 0.0 110.47 -172.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 67.09 5.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.124 0.97 . . . . 0.0 109.62 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -138.5 -164.91 1.72 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.381 1.472 . . . . 0.0 108.166 167.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.32 152.89 46.2 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 126.694 1.998 . . . . 0.0 107.365 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.89 -9.45 51.74 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.069 0.948 . . . . 0.0 112.123 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -40.51 55.28 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.447 1.022 . . . . 0.0 110.163 170.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -73.62 -44.8 56.12 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.07 -6.47 1.39 Allowed 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.347 1.459 . . . . 0.0 114.059 -177.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -62.37 -42.83 99.72 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 120.428 1.467 . . . . 0.0 110.164 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.73 -32.97 68.33 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.349 0.595 . . . . 0.0 110.318 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.39 -52.84 62.93 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 170.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -66.54 -30.9 71.32 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.053 0.541 . . . . 0.0 112.229 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -70.79 -46.4 62.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.515 0.726 . . . . 0.0 110.527 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -47.03 86.93 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 121.543 -0.723 . . . . 0.0 109.771 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.18 2.13 11.66 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -91.17 -29.3 17.33 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.973 1.309 . . . . 0.0 111.16 169.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.7 m -85.83 -38.85 17.69 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.758 0.823 . . . . 0.0 111.006 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -129.13 150.91 50.32 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 124.943 1.297 . . . . 0.0 109.501 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -93.66 32.07 1.47 Allowed 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.385 0.674 . . . . 0.0 110.362 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -163.19 -167.93 1.59 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 -172.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.1 mt -159.01 103.11 1.66 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 103.354 -2.832 . . . . 0.0 103.354 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.0 m -61.28 165.16 4.75 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -45.67 82.82 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.433 -0.792 . . . . 0.0 110.772 -165.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -50.84 -42.87 58.98 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 125.067 1.347 . . . . 0.0 111.902 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -71.4 -47.52 55.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.468 1.507 . . . . 0.0 107.773 -165.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -62.3 -39.55 93.35 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.261 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 m -58.94 -34.66 72.0 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 117.682 -1.152 . . . . 0.0 112.543 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -61.66 -61.07 2.78 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.5 mp -45.64 -54.24 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 123.843 0.857 . . . . 0.0 110.639 172.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.14 -18.62 64.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.685 -172.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -127.63 -2.03 6.09 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 119.391 0.996 . . . . 0.0 113.303 -168.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.68 -12.64 13.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.946 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.7 mt -113.64 -90.07 0.53 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.804 1.184 . . . . 0.0 110.576 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.49 33.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 130.233 3.413 . . . . 0.0 108.768 -168.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.82 166.25 10.51 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.099 -1.001 . . . . 0.0 109.099 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.89 119.61 32.08 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -174.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.79 -41.65 7.14 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.311 1.844 . . . . 0.0 113.19 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.9 t -70.05 -36.89 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 O-C-N 120.786 -1.196 . . . . 0.0 110.9 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -41.38 75.94 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.249 1.02 . . . . 0.0 110.105 176.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.3 -38.69 70.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.35 1.06 . . . . 0.0 108.947 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -54.73 -27.15 38.69 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.09 0.956 . . . . 0.0 113.377 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mt -102.56 -19.94 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 119.52 1.055 . . . . 0.0 110.471 -170.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -58.99 -32.1 69.39 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.295 -1.503 . . . . 0.0 110.178 172.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.41 ' C ' ' H ' ' A' ' 57' ' ' ASN . 62.3 m-85 -54.65 -31.15 57.1 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.303 1.041 . . . . 0.0 112.391 172.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.53 10.75 0.16 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.55 1.94 . . . . 0.0 113.316 176.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' A' ' 55' ' ' PHE . 11.1 m-80 -126.41 -53.13 1.48 Allowed 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 126.529 1.932 . . . . 0.0 107.876 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 tpt85 -66.16 -1.81 3.61 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -99.95 -5.98 27.37 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.387 1.075 . . . . 0.0 112.585 175.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.71 -11.5 59.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 120.352 1.433 . . . . 0.0 113.005 -167.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -47.55 -55.5 9.08 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 125.486 1.514 . . . . 0.0 112.002 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -63.55 -45.43 90.59 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 118.886 0.766 . . . . 0.0 109.997 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -62.58 -38.56 90.59 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 117.904 -1.046 . . . . 0.0 112.223 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -13.03 24.73 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.985 1.72 . . . . 0.0 113.942 174.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.6 mt -108.65 -13.85 10.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 125.325 1.45 . . . . 0.0 109.699 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -115.77 1.03 13.36 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.358 1.463 . . . . 0.0 112.829 -176.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.6 110.0 1.86 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 164.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.8 107.22 3.5 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 107.627 -2.189 . . . . 0.0 107.627 173.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -140.73 167.98 20.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.97 1.708 . . . . 0.0 109.293 -173.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.66 103.56 5.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 -175.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.405 1.482 . . . . 0.0 110.858 -162.411 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 N--CA 1.467 0.386 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.71 56.0 3.56 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.173 1.389 . . . . 0.0 110.779 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.49 131.29 19.91 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.283 1.989 . . . . 0.0 109.321 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.45 -174.22 35.59 Favored Glycine 0 CA--C 1.522 0.481 0 CA-C-N 119.328 0.967 . . . . 0.0 113.049 -170.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.79 86.33 0.87 Allowed Glycine 0 CA--C 1.525 0.67 0 C-N-CA 124.575 1.084 . . . . 0.0 111.149 -177.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -74.49 160.85 30.4 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.085 0.943 . . . . 0.0 108.954 159.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.32 160.37 18.17 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 124.208 1.003 . . . . 0.0 108.394 159.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.92 95.96 10.52 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 124.768 1.227 . . . . 0.0 109.097 -177.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -63.17 159.86 16.69 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.6 44.65 0.08 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 127.645 2.378 . . . . 0.0 112.909 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -77.2 57.09 1.38 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.914 -1.116 . . . . 0.0 109.982 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 t -65.09 -179.38 0.55 Allowed 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.565 -0.709 . . . . 0.0 110.779 169.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.67 89.56 2.0 Allowed 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 167.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -128.8 179.33 5.77 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.619 1.967 . . . . 0.0 108.074 168.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.75 154.63 39.22 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 127.145 2.178 . . . . 0.0 107.613 -176.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -15.61 9.66 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.35 1.06 . . . . 0.0 112.775 169.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.59 -49.8 43.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 119.688 1.131 . . . . 0.0 110.395 171.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -88.49 -21.02 24.39 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.006 -172.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.01 -30.38 68.76 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 121.099 -1.001 . . . . 0.0 111.235 172.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -38.64 79.06 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.544 0.738 . . . . 0.0 112.708 -163.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.56 -32.64 20.57 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.222 1.009 . . . . 0.0 110.599 -173.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -48.53 70.83 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 126.523 1.929 . . . . 0.0 111.053 171.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.34 -30.99 62.26 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 123.906 0.882 . . . . 0.0 112.243 -178.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -58.87 6.1 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 172.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -77.69 30.15 0.16 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.065 1.346 . . . . 0.0 112.096 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -129.43 2.27 5.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.588 1.155 . . . . 0.0 112.107 164.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -73.45 -62.45 1.48 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 86.4 m -78.93 -22.5 45.69 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -169.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.15 125.76 32.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 -174.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.04 42.95 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -158.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -176.91 -174.08 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.5 1.52 . . . . 0.0 107.094 -175.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.9 mt -138.13 96.35 3.18 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 169.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -69.38 168.91 13.38 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.922 1.289 . . . . 0.0 109.587 169.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.25 -53.14 59.83 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.42 1.009 . . . . 0.0 111.135 -166.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 m -60.73 -40.96 94.34 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.937 0.895 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.94 -36.22 79.75 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.579 0.752 . . . . 0.0 109.527 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -68.88 -21.47 64.25 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.439 1.496 . . . . 0.0 110.737 -174.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.9 p -95.94 -5.66 40.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.46 1.027 . . . . 0.0 112.605 173.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.93 -59.55 5.19 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.51 1.504 . . . . 0.0 110.166 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mp -54.19 -50.92 52.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 C-N-CA 124.876 1.27 . . . . 0.0 109.301 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.25 -25.43 67.08 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -174.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -78.26 -9.33 59.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.468 1.107 . . . . 0.0 112.628 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.25 -2.6 1.12 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.214 1.37 . . . . 0.0 112.879 -166.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.2 mt -147.31 115.28 6.5 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 129.404 3.082 . . . . 0.0 104.393 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.12 33.23 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.752 1 C-N-CA 131.82 4.048 . . . . 0.0 114.405 175.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -179.54 0.35 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.1 2.56 . . . . 0.0 112.259 173.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.6 m -98.46 110.86 23.38 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.296 1.438 . . . . 0.0 109.391 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.6 -26.41 63.64 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.285 1.034 . . . . 0.0 112.97 -177.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.53 -46.46 95.43 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 O-C-N 121.385 -0.822 . . . . 0.0 108.937 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -37.42 75.55 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.247 1.419 . . . . 0.0 111.376 -170.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -56.24 -32.81 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -56.2 -22.62 30.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.969 2.108 . . . . 0.0 113.879 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -111.02 -25.58 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 119.233 0.924 . . . . 0.0 110.347 -176.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -58.11 -37.57 74.81 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.289 -0.882 . . . . 0.0 112.172 -171.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -82.15 -29.37 31.63 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 122.272 -0.268 . . . . 0.0 111.352 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.9 -35.69 73.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.954 1.702 . . . . 0.0 110.141 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -55.24 -42.92 74.08 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.529 -0.732 . . . . 0.0 110.566 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -5.45 14.21 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.341 1.456 . . . . 0.0 113.396 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -109.63 -22.72 11.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 120.571 1.532 . . . . 0.0 111.788 171.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.11 -35.91 56.0 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.072 0.851 . . . . 0.0 111.993 174.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -48.56 -60.83 2.38 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -157.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -71.12 -40.99 71.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.893 1.224 . . . . 0.0 110.726 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -61.63 -23.66 66.19 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 117.231 -1.366 . . . . 0.0 112.484 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -73.24 -24.07 60.43 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 120.364 1.438 . . . . 0.0 113.654 172.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.6 mm -86.87 -50.14 14.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -76.31 47.39 0.46 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.331 1.852 . . . . 0.0 109.697 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.64 13.91 22.44 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.252 1.821 . . . . 0.0 112.554 -167.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 153.05 -19.44 0.74 Allowed Glycine 0 CA--C 1.526 0.76 0 C-N-CA 124.592 1.091 . . . . 0.0 110.552 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -142.17 -170.57 3.19 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 127.407 2.283 . . . . 0.0 108.72 172.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.0 m -98.61 -164.65 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 125.296 1.439 . . . . 0.0 109.668 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.248 1.007 0 O-C-N 121.254 -0.904 . . . . 0.0 109.543 171.688 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 117.597 -1.192 . . . . 0.0 113.941 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.79 152.39 3.58 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 119.617 1.098 . . . . 0.0 113.928 -168.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.16 150.97 76.42 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.778 2.319 . . . . 0.0 110.551 170.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.24 -168.63 30.22 Favored Glycine 0 C--O 1.238 0.366 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 -161.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.83 -169.98 20.29 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 124.504 1.049 . . . . 0.0 113.067 -172.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -121.04 161.99 20.74 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -169.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.5 t -157.14 117.37 3.51 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -133.36 22.96 4.06 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.813 1.245 . . . . 0.0 111.712 -175.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -75.28 30.33 0.1 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 117.562 2.43 . . . . 0.0 117.562 -158.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -72.27 59.05 0.4 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.071 1.748 . . . . 0.0 115.341 -168.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -77.26 49.04 0.67 Allowed 'General case' 0 N--CA 1.473 0.683 0 O-C-N 119.359 -2.088 . . . . 0.0 111.656 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -80.37 153.92 28.03 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 125.164 1.386 . . . . 0.0 108.635 176.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.5 3.43 53.97 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -86.48 171.26 11.23 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.345 1.058 . . . . 0.0 111.366 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.1 p -93.19 179.48 5.41 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 126.652 1.981 . . . . 0.0 108.572 -178.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -80.73 -38.31 29.0 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 120.737 -1.227 . . . . 0.0 108.519 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -67.57 -9.27 41.21 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.409 HE21 HD11 ' A' ' 46' ' ' LEU . 2.0 pt20 -113.98 -14.11 12.46 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.542 1.065 . . . . 0.0 112.832 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.86 -8.52 56.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.919 1.688 . . . . 0.0 113.338 170.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -69.08 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 119.866 1.212 . . . . 0.0 112.259 -164.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.98 -20.86 64.18 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.952 0.501 . . . . 0.0 111.581 -177.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.22 -45.87 65.43 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.719 1.207 . . . . 0.0 111.172 166.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.98 -28.14 57.75 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.861 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -60.33 -51.96 67.31 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 119.59 1.087 . . . . 0.0 108.802 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -54.64 14.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.284 0.634 . . . . 0.0 111.761 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.25 -5.8 30.19 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -171.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -72.3 -52.34 16.69 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.151 0.581 . . . . 0.0 109.484 168.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 84.0 m -72.76 -55.75 6.27 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.814 1.246 . . . . 0.0 109.655 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.84 102.84 9.1 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 122.698 1.237 . . . . 0.0 108.13 -168.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.45 39.94 0.48 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.431 1.492 . . . . 0.0 110.37 -166.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -171.93 138.83 1.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.953 2.101 . . . . 0.0 105.774 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mt -117.31 102.04 8.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -65.14 -179.31 0.55 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.268 1.427 . . . . 0.0 111.851 174.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -51.4 16.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.275 1.43 . . . . 0.0 113.036 -172.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.7 m -57.45 -51.94 67.4 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.604 1.562 . . . . 0.0 110.396 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -72.99 -40.39 65.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.749 2.019 . . . . 0.0 108.876 -163.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -64.69 -23.04 67.12 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.097 -1.627 . . . . 0.0 111.769 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 t -85.25 -10.91 55.98 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 120.487 1.494 . . . . 0.0 112.395 173.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -68.73 -66.81 0.53 Allowed 'General case' 0 C--N 1.342 0.273 0 CA-C-N 120.741 1.61 . . . . 0.0 109.659 -170.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mp -58.36 -45.92 89.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.81 -6.5 2.73 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.2 1.4 . . . . 0.0 114.522 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -136.16 14.35 3.29 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.959 1.254 . . . . 0.0 111.547 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.5 -46.43 5.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.79 1.236 . . . . 0.0 109.94 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -101.77 -88.16 0.39 Allowed 'General case' 0 C--N 1.349 0.586 0 CA-C-O 117.451 -1.261 . . . . 0.0 111.276 -169.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -159.92 -1.21 0.07 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.029 2.531 . . . . 0.0 114.736 -167.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.409 HD11 HE21 ' A' ' 18' ' ' GLN . 5.8 mp -81.74 151.49 27.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.843 1.257 . . . . 0.0 110.377 -166.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.68 128.91 36.16 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.47 1.508 . . . . 0.0 109.933 170.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -48.48 -43.11 34.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.2 1.4 . . . . 0.0 112.013 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.0 t -47.81 -53.03 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.245 1.418 . . . . 0.0 110.232 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -36.53 82.71 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.277 1.831 . . . . 0.0 110.643 -176.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -70.87 -43.45 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.489 1.516 . . . . 0.0 110.24 -174.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -50.38 -40.49 49.76 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.366 -0.834 . . . . 0.0 110.886 175.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.2 mt -77.11 -22.45 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 124.299 1.04 . . . . 0.0 110.468 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 19.3 t90 -56.56 -40.94 76.03 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 120.687 1.585 . . . . 0.0 108.577 174.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -65.63 -34.39 78.11 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.591 -0.693 . . . . 0.0 111.653 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.358 0.1 OUTLIER -72.66 -16.42 61.7 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.552 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -111.82 -1.19 15.65 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -101.13 4.51 42.16 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -106.25 -6.75 18.21 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 122.178 2.263 . . . . 0.0 113.581 -177.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.21 -16.78 22.26 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.951 1.25 . . . . 0.0 114.085 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -59.19 -56.07 26.89 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.055 1.298 . . . . 0.0 110.728 -170.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -59.18 -46.31 88.76 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -55.0 -49.67 70.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.988 1.315 . . . . 0.0 111.122 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.52 -53.86 13.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.922 1.237 . . . . 0.0 112.447 -172.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.2 mp -72.58 -39.92 61.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.974 0.91 . . . . 0.0 111.17 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -78.18 -20.17 52.48 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.168 -0.957 . . . . 0.0 112.726 -172.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.49 172.79 7.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 127.683 2.393 . . . . 0.0 109.133 174.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.24 92.16 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -176.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -74.81 161.44 29.59 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 117.558 0.679 . . . . 0.0 109.6 168.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.58 140.22 18.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.339 0.59 . . . . 0.0 109.641 168.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.247 0.969 0 C-N-CA 125.87 1.668 . . . . 0.0 107.391 168.796 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.84 85.36 61.02 Favored Pre-proline 0 C--O 1.236 0.345 0 C-N-CA 125.93 1.692 . . . . 0.0 108.572 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -67.67 170.35 14.07 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.408 1.405 . . . . 0.0 110.24 168.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.83 155.2 26.44 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -174.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.01 131.96 4.01 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 107.197 -2.361 . . . . 0.0 107.197 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -141.65 137.58 31.9 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -169.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 m -143.48 166.55 24.48 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -133.98 16.23 3.87 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.648 1.979 . . . . 0.0 111.39 171.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -75.47 119.51 19.65 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 126.062 1.745 . . . . 0.0 112.329 -174.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -64.26 92.33 0.08 Allowed 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.332 -0.855 . . . . 0.0 108.92 162.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -141.01 63.63 1.44 Allowed 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.076 0.95 . . . . 0.0 108.483 159.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -66.29 138.52 57.7 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 168.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.78 70.05 1.33 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 166.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -98.71 165.89 11.58 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.448 ' H ' ' HG3' ' A' ' 18' ' ' GLN . 1.3 p -120.95 172.27 8.04 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.433 1.493 . . . . 0.0 108.359 -177.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -60.91 -32.5 71.97 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 119.072 -0.49 . . . . 0.0 111.023 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.58 -19.38 63.67 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.617 1.167 . . . . 0.0 112.046 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HG3' ' H ' ' A' ' 15' ' ' THR . 2.8 mt-30 -96.8 -43.03 7.69 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.169 1.388 . . . . 0.0 108.763 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 mt -67.67 -12.74 61.14 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 124.779 1.232 . . . . 0.0 112.618 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.14 -55.05 15.83 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 120.662 1.574 . . . . 0.0 108.177 -167.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -72.44 -26.87 62.0 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.12 0.968 . . . . 0.0 111.376 -174.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.3 tp -79.88 -33.15 40.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.653 2.381 . . . . 0.0 111.603 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.07 -26.3 43.05 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.945 -0.472 . . . . 0.0 109.94 167.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -73.75 -38.44 64.74 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.109 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.94 -51.46 67.58 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.362 0.983 . . . . 0.0 108.973 177.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -78.37 13.23 1.61 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.016 1.326 . . . . 0.0 112.375 -168.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.0 -5.37 13.79 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.645 1.111 . . . . 0.0 111.671 170.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.8 m -126.94 -0.66 6.59 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.25 132.64 26.75 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 119.557 1.072 . . . . 0.0 108.336 163.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -71.4 -11.71 61.03 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.567 165.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.93 100.78 4.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.355 0.98 . . . . 0.0 111.451 -164.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 11.1 mt -69.18 113.58 6.66 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 168.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.2 t -159.25 -160.71 0.87 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 129.476 3.11 . . . . 0.0 104.955 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 52.52 40.1 29.17 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.389 1.876 . . . . 0.0 111.916 174.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.296 1.4 t 51.27 10.84 0.09 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.578 2.351 . . . . 0.0 115.001 -171.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.69 -33.88 76.92 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 120.162 -1.587 . . . . 0.0 108.931 174.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -3.13 4.87 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.662 -0.685 . . . . 0.0 112.793 175.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.0 m -122.16 13.66 10.46 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.628 1.571 . . . . 0.0 108.959 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -79.0 -64.39 1.19 Allowed 'General case' 0 C--N 1.345 0.392 0 CA-C-N 119.198 0.908 . . . . 0.0 108.651 172.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.426 HD11 ' H ' ' A' ' 40' ' ' ILE . 5.1 mp -62.38 -35.58 70.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -163.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.06 -13.79 62.27 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -111.67 -15.11 13.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.761 1.164 . . . . 0.0 112.228 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.58 -17.99 13.6 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 117.648 -1.168 . . . . 0.0 111.472 -157.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -122.98 -86.06 0.65 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 119.155 0.889 . . . . 0.0 112.702 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 43.46 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 128.725 2.81 . . . . 0.0 109.494 -172.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -113.08 -169.43 1.48 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.315 1.046 . . . . 0.0 108.789 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -137.31 134.69 36.35 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.477 1.511 . . . . 0.0 110.287 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -39.84 95.84 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.065 0.946 . . . . 0.0 113.492 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.2 t -58.57 -45.14 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -35.84 71.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.397 0.679 . . . . 0.0 110.385 -174.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.7 t -60.96 -37.77 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 121.158 -0.964 . . . . 0.0 110.74 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -54.69 -23.1 15.98 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.981 0.912 . . . . 0.0 111.201 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -109.96 -26.44 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.128 1.771 . . . . 0.0 111.151 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -54.69 -39.79 68.5 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.825 1.648 . . . . 0.0 109.669 173.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -52.35 -40.96 62.63 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.479 1.112 . . . . 0.0 112.708 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -55.32 -46.48 76.33 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.805 1.642 . . . . 0.0 110.01 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -66.11 -49.71 66.55 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 124.311 1.044 . . . . 0.0 110.302 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -61.85 -21.04 64.33 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.72 -177.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -80.67 -1.48 42.63 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.948 -172.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.55 -58.62 2.74 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 120.347 1.43 . . . . 0.0 109.725 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -44.84 -72.79 0.05 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.863 1.265 . . . . 0.0 113.732 -158.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -66.87 -25.24 66.31 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 120.883 -1.136 . . . . 0.0 111.635 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -73.52 -28.37 61.85 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.819 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.7 mtt-85 -58.66 -43.19 89.78 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.747 1.612 . . . . 0.0 109.74 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.6 mt -68.54 -58.3 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.455 ' HE3' ' CG1' ' A' ' 70' ' ' VAL . 3.7 tmtp? -73.12 23.09 0.06 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.493 2.317 . . . . 0.0 112.195 -177.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.39 88.49 3.18 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.404 1.482 . . . . 0.0 109.115 -177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.07 -128.36 8.52 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-O 118.904 -0.942 . . . . 0.0 111.187 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -62.37 -179.36 0.23 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 122.144 0.974 . . . . 0.0 111.857 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.455 ' CG1' ' HE3' ' A' ' 66' ' ' LYS . 35.5 m -124.53 165.35 21.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 124.232 1.013 . . . . 0.0 108.794 172.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.08 1.352 . . . . 0.0 109.66 -176.429 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.467 0.391 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.48 157.63 71.29 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 119.052 0.842 . . . . 0.0 109.037 159.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -69.34 170.54 15.84 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.117 2.545 . . . . 0.0 110.424 169.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.11 -99.87 2.54 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 107.303 -2.319 . . . . 0.0 107.303 165.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.56 -113.18 0.44 Allowed Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.62 125.54 24.59 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.058 0.929 . . . . 0.0 109.004 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.8 p -142.0 173.12 11.8 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.127 0.421 . . . . 0.0 111.253 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.54 71.09 1.43 Allowed 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.149 0.98 . . . . 0.0 111.345 -162.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -132.33 153.55 50.62 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 121.33 -0.856 . . . . 0.0 111.167 171.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -62.39 76.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 128.255 2.622 . . . . 0.0 110.379 169.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.78 43.93 1.04 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.998 0.919 . . . . 0.0 109.321 178.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.84 150.45 13.06 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.246 -0.909 . . . . 0.0 108.783 166.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.73 5.34 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.359 1.863 . . . . 0.0 111.851 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -79.85 178.56 8.11 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.253 1.421 . . . . 0.0 110.261 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.5 p -141.82 169.19 18.05 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.924 1.29 . . . . 0.0 108.983 -169.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -59.92 -43.64 94.76 Favored 'General case' 0 C--O 1.23 0.035 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.06 -34.6 70.29 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.193 0.52 . . . . 0.0 111.242 -177.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -94.22 -9.47 36.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.96 1.304 . . . . 0.0 111.908 -172.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.1 mt -98.04 -8.27 28.17 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.175 1.39 . . . . 0.0 111.746 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.56 -53.69 31.88 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 124.317 1.047 . . . . 0.0 109.716 -163.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.5 -32.92 48.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.199 1.8 . . . . 0.0 109.149 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HG ' ' CZ2' ' A' ' 54' ' ' TRP . 37.9 tp -68.7 -51.09 45.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.534 1.934 . . . . 0.0 111.287 -173.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.85 -35.34 80.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 119.528 -0.273 . . . . 0.0 110.63 173.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.94 -48.82 78.69 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.606 0.762 . . . . 0.0 110.309 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.42 -43.26 96.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 124.065 0.946 . . . . 0.0 110.015 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -78.43 -5.81 53.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.075 -1.016 . . . . 0.0 112.147 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -67.67 -30.23 69.71 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.1 0.864 . . . . 0.0 109.9 169.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m -102.39 -6.54 22.9 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.87 0.868 . . . . 0.0 112.433 -171.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HE3' HD13 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -155.7 127.87 7.63 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 119.265 0.939 . . . . 0.0 111.478 -174.541 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -73.07 -6.74 47.64 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -170.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -144.08 166.25 25.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 119.823 1.192 . . . . 0.0 108.86 -167.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.525 HD13 ' HE3' ' A' ' 29' ' ' LYS . 5.5 tp -123.97 104.4 8.89 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -65.01 176.61 1.19 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 126.677 1.991 . . . . 0.0 111.858 175.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.43 -61.06 2.87 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.102 0.961 . . . . 0.0 109.083 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 t -44.95 -48.95 11.38 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.452 1.901 . . . . 0.0 111.189 169.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.19 -44.35 76.08 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.578 1.151 . . . . 0.0 110.009 -171.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -48.11 72.71 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.683 173.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -69.29 -23.24 63.8 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.234 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -67.49 -63.31 1.08 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 120.609 1.549 . . . . 0.0 107.553 -171.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -64.07 -39.68 86.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.32 -21.61 65.4 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 117.474 -1.251 . . . . 0.0 113.396 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -123.35 23.21 9.11 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.988 1.267 . . . . 0.0 110.733 173.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.42 -54.98 3.77 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -114.63 -88.25 0.57 Allowed 'General case' 0 C--N 1.343 0.302 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.521 -160.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.1 13.67 0.38 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.386 1.875 . . . . 0.0 112.496 -170.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mp -80.44 -175.71 5.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.765 1.626 . . . . 0.0 110.803 -170.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.4 t -129.75 134.66 47.74 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 169.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -48.74 -45.94 40.31 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.336 1.854 . . . . 0.0 111.614 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.7 t -63.68 -28.37 44.84 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 123.833 0.853 . . . . 0.0 110.824 -173.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.21 -39.91 28.17 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.619 1.099 . . . . 0.0 111.086 176.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.87 -38.34 78.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -2.78 2.21 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.468 ' HA ' ' CG ' ' A' ' 56' ' ' GLN . 4.5 mt -119.51 -21.88 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 119.788 1.176 . . . . 0.0 110.323 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.41 ' CZ2' ' HG ' ' A' ' 22' ' ' LEU . 77.6 t90 -59.19 -26.17 64.58 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.713 -1.242 . . . . 0.0 112.464 -175.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -78.33 -47.99 16.56 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.359 -0.838 . . . . 0.0 111.761 170.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.468 ' CG ' ' HA ' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -71.04 -35.01 71.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 120.608 -1.307 . . . . 0.0 111.748 -171.357 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -72.54 -15.48 61.77 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 117.621 -1.18 . . . . 0.0 113.118 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -80.82 -15.02 57.5 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 120.082 1.31 . . . . 0.0 112.147 -176.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -60.93 -23.96 65.67 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -161.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.01 -11.33 59.79 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 119.104 0.866 . . . . 0.0 113.306 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -51.3 -53.52 35.03 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 124.363 1.065 . . . . 0.0 111.431 -169.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -71.39 -35.82 71.19 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.066 0.546 . . . . 0.0 111.185 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -65.86 -25.01 67.0 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 120.887 -1.133 . . . . 0.0 112.047 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -9.8 1.75 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 120.435 1.471 . . . . 0.0 113.482 168.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.1 mt -123.83 -33.44 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.303 1.441 . . . . 0.0 109.151 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -90.35 49.01 1.62 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.794 2.038 . . . . 0.0 110.937 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.03 -162.17 1.45 Allowed 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.27 1.428 . . . . 0.0 110.066 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.43 18.1 48.01 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 126.258 1.885 . . . . 0.0 111.734 169.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -89.56 -177.48 5.32 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.643 1.221 . . . . 0.0 109.146 162.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 p -170.45 135.65 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 N-CA-C 102.67 -3.085 . . . . 0.0 102.67 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.254 1.308 0 C-N-CA 124.034 0.934 . . . . 0.0 110.618 -168.719 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 117.87 -1.062 . . . . 0.0 108.605 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.92 152.97 41.61 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 120.086 1.312 . . . . 0.0 111.134 -175.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -67.41 -176.24 0.83 Allowed 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.682 3.588 . . . . 0.0 111.337 172.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.49 154.9 26.0 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 162.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.07 154.29 15.59 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.295 1.426 . . . . 0.0 109.672 174.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -174.64 92.65 0.07 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.766 1.626 . . . . 0.0 111.86 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.9 m -140.24 82.37 1.86 Allowed 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.942 0.897 . . . . 0.0 111.009 166.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -148.91 146.41 27.87 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -66.65 138.27 57.31 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.214 1.37 . . . . 0.0 109.703 -175.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -132.33 109.22 9.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 125.299 1.44 . . . . 0.0 108.913 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -102.23 31.73 3.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.594 0.758 . . . . 0.0 110.547 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -139.35 160.87 38.83 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 120.873 -1.142 . . . . 0.0 108.422 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.98 12.15 1.92 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -117.2 -173.53 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.543 1.137 . . . . 0.0 110.328 -172.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.3 p -132.6 167.16 20.55 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.541 2.336 . . . . 0.0 107.008 -174.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -66.9 -36.96 83.46 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.656 1.116 . . . . 0.0 110.588 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.48 -45.08 92.67 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.101 1.76 . . . . 0.0 111.06 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.78 -21.56 62.48 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 120.744 -1.223 . . . . 0.0 112.789 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -83.42 -9.92 58.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.974 1.31 . . . . 0.0 111.306 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -54.6 6.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 120.892 1.678 . . . . 0.0 108.308 -162.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -57.88 -38.61 76.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.494 1.518 . . . . 0.0 109.518 172.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -50.74 72.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.457 1.503 . . . . 0.0 110.283 -176.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -76.36 -27.65 56.5 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 122.707 0.403 . . . . 0.0 112.079 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -59.79 -31.76 70.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.055 0.942 . . . . 0.0 111.606 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -8.36 56.07 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -89.36 -0.81 57.76 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.629 -1.294 . . . . 0.0 111.678 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -87.0 -47.36 9.01 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.296 0.953 . . . . 0.0 111.167 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 91.7 m -101.61 -8.01 22.21 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -164.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.54 108.96 2.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 125.655 1.582 . . . . 0.0 108.881 -176.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -76.39 35.72 0.15 Allowed 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.549 -0.72 . . . . 0.0 111.885 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -164.54 103.33 0.82 Allowed 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 120.368 -1.457 . . . . 0.0 108.187 -176.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.9 mt -70.29 117.86 12.38 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 163.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -131.89 -172.24 2.82 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 131.01 3.724 . . . . 0.0 106.331 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tm? 49.84 38.09 15.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.572 1.149 . . . . 0.0 112.404 164.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t 48.96 21.88 0.51 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.08 1.352 . . . . 0.0 113.47 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.73 -31.49 71.66 Favored 'General case' 0 CA--C 1.516 -0.358 0 O-C-N 119.758 -1.839 . . . . 0.0 109.091 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -57.65 -34.58 69.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.891 175.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 m -87.93 -6.17 58.18 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 124.851 1.261 . . . . 0.0 110.536 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.65 -51.88 44.75 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 172.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.5 mp -54.15 -42.3 55.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 119.033 0.833 . . . . 0.0 109.734 176.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.01 -30.02 65.75 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.023 0.929 . . . . 0.0 113.329 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -100.46 -34.94 9.73 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.693 1.133 . . . . 0.0 111.188 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.37 25.53 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -161.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.8 mt -99.69 -88.34 0.34 Allowed 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.81 -169.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -159.46 4.72 0.09 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.378 1.871 . . . . 0.0 112.527 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -94.93 -174.48 3.27 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -163.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -138.64 146.27 41.48 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 174.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -61.86 -34.52 76.15 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 123.573 0.749 . . . . 0.0 111.294 -175.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.6 t -54.94 -45.49 76.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 C-N-CA 124.213 1.005 . . . . 0.0 110.329 172.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -40.89 63.5 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 117.962 0.346 . . . . 0.0 110.115 -175.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.43 -33.71 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.855 0.862 . . . . 0.0 110.276 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -44.65 -45.18 9.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.63 1.572 . . . . 0.0 113.792 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -85.3 -22.12 7.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 O-C-N 121.353 -0.842 . . . . 0.0 110.209 -166.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -58.05 -36.25 72.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.212 -0.93 . . . . 0.0 109.689 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -73.1 -36.14 66.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.311 -0.852 . . . . 0.0 112.101 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -54.16 -39.83 66.91 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 120.213 1.37 . . . . 0.0 110.623 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -67.6 0.29 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.299 1.04 . . . . 0.0 109.277 170.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.0 mmt-85 -71.02 28.61 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.955 1.702 . . . . 0.0 113.773 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -123.46 10.18 9.14 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 124.565 1.146 . . . . 0.0 112.357 172.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.02 -41.64 12.22 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.274 1.397 . . . . 0.0 112.969 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -48.46 -48.75 37.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -164.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -83.45 -40.01 19.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.704 0.802 . . . . 0.0 109.974 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -31.47 68.15 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 117.918 -1.039 . . . . 0.0 111.395 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -71.15 0.08 Allowed 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 124.691 1.196 . . . . 0.0 110.004 171.442 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.21 -37.48 79.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 122.862 0.465 . . . . 0.0 109.764 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.08 16.64 6.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 117.9 -1.047 . . . . 0.0 112.255 -174.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.12 114.94 0.88 Allowed 'General case' 0 C--N 1.34 0.158 0 C-N-CA 126.1 1.76 . . . . 0.0 109.666 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.6 117.18 6.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 124.658 1.123 . . . . 0.0 110.402 -171.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -137.3 72.99 1.43 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 117.66 0.73 . . . . 0.0 109.092 173.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.4 t -128.83 123.77 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 170.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 114.691 -2.576 . . . . 0.0 107.302 -167.51 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.343 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.07 152.49 93.68 Favored Pre-proline 0 C--O 1.238 0.489 0 C-N-CA 122.805 0.442 . . . . 0.0 111.342 -171.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -68.25 124.14 11.37 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.671 2.247 . . . . 0.0 109.535 170.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.76 72.58 0.46 Allowed Glycine 0 C--N 1.333 0.414 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.05 139.21 14.49 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 107.6 17.43 Favored 'General case' 0 N--CA 1.461 0.105 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -167.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.5 t -152.82 172.27 16.98 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.815 0.734 . . . . 0.0 110.482 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -73.0 29.8 0.06 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.332 1.853 . . . . 0.0 113.654 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.45 112.42 1.41 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.541 0.736 . . . . 0.0 109.957 -174.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -72.65 51.59 0.27 Allowed 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.761 0.824 . . . . 0.0 111.813 165.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -81.18 73.59 8.22 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 167.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.51 175.24 2.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 122.398 0.279 . . . . 0.0 110.51 165.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.29 39.86 1.11 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.416 1.486 . . . . 0.0 110.983 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -125.98 -165.29 1.41 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.379 1.472 . . . . 0.0 108.899 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.85 162.68 37.16 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 127.321 2.249 . . . . 0.0 106.281 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -51.72 -33.72 35.74 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 163.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.57 -10.0 53.04 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.359 -0.838 . . . . 0.0 113.115 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -129.44 2.3 5.07 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.483 1.513 . . . . 0.0 112.016 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 mp -95.77 -3.46 45.73 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 126.502 1.921 . . . . 0.0 111.725 170.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -52.84 63.51 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 119.285 0.948 . . . . 0.0 109.283 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.32 -36.9 66.3 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.024 0.93 . . . . 0.0 109.473 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.67 -38.49 70.64 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.898 1.279 . . . . 0.0 110.918 -168.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -80.85 -28.56 36.03 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 118.028 -0.987 . . . . 0.0 111.596 172.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -57.36 -51.34 69.79 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.606 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.07 1.35 0.46 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.958 2.103 . . . . 0.0 114.708 174.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.46 16.47 15.62 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.068 1.347 . . . . 0.0 111.261 173.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -98.85 -41.89 7.42 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.36 0.664 . . . . 0.0 111.66 175.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.3 m -76.49 -26.68 55.56 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.6 1.16 . . . . 0.0 112.593 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.56 171.37 18.24 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.256 1.022 . . . . 0.0 109.3 -164.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -121.54 3.77 10.17 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -163.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -152.57 98.89 2.41 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.774 1.23 . . . . 0.0 107.681 -164.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.05 126.11 28.73 Favored 'General case' 0 C--O 1.238 0.466 0 O-C-N 120.303 -1.498 . . . . 0.0 108.12 174.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.58 -177.34 4.77 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.104 0.962 . . . . 0.0 111.755 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.09 -55.59 33.02 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 126.598 1.959 . . . . 0.0 111.872 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 m -74.77 -38.93 62.04 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.63 -41.65 97.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.917 1.287 . . . . 0.0 109.075 -167.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -71.63 -19.91 62.05 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -80.11 -20.18 45.62 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.267 -0.873 . . . . 0.0 108.834 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -70.09 -43.75 70.45 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 119.03 -1.068 . . . . 0.0 110.387 -163.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.25 -34.87 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.93 -9.7 58.31 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.621 -0.704 . . . . 0.0 112.774 176.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -104.88 -5.32 21.21 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.758 1.223 . . . . 0.0 111.552 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.81 -56.22 2.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.739 1.216 . . . . 0.0 109.095 -171.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -96.93 -89.4 0.27 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 118.496 -1.281 . . . . 0.0 109.172 -162.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.65 15.46 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 131.107 3.763 . . . . 0.0 111.285 -174.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.6 174.76 9.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.029 1.332 . . . . 0.0 109.648 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.3 t -135.83 132.87 37.2 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.473 1.509 . . . . 0.0 110.166 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -57.21 -34.59 68.69 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.114 1.325 . . . . 0.0 114.103 -174.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -54.43 -36.31 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 119.238 0.926 . . . . 0.0 112.393 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -38.51 28.12 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.462 0.573 . . . . 0.0 111.889 173.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.5 t -57.13 -45.57 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -53.67 -21.94 7.92 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.8 mt -97.97 -21.51 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 119.757 1.162 . . . . 0.0 110.554 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -57.06 -32.63 66.42 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 120.721 -1.237 . . . . 0.0 110.129 173.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -63.07 -47.83 81.27 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.516 0.726 . . . . 0.0 110.737 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -31.74 62.65 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 118.667 0.667 . . . . 0.0 111.785 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.05 -54.68 30.39 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -4.37 14.71 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -81.06 -8.01 59.68 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.651 1.569 . . . . 0.0 113.488 -173.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.97 -15.5 20.08 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.588 -0.72 . . . . 0.0 112.416 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -45.66 -63.85 0.87 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.273 1.429 . . . . 0.0 112.015 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -63.07 -30.68 71.79 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.341 -171.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.22 -51.42 57.83 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 125.149 1.38 . . . . 0.0 111.555 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -65.99 -27.08 67.87 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 120.515 1.507 . . . . 0.0 112.495 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.7 mt -74.85 -51.98 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 173.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -81.12 47.07 0.97 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.937 1.295 . . . . 0.0 109.69 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.84 144.73 49.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 126.213 1.805 . . . . 0.0 107.951 172.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.93 95.02 1.79 Allowed Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 107.996 -2.042 . . . . 0.0 107.996 171.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -152.9 -173.66 4.65 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 171.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.07 172.86 15.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 C-N-CA 124.659 1.183 . . . . 0.0 110.354 -168.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.249 1.079 0 CA-C-O 116.611 -1.661 . . . . 0.0 109.408 -155.59 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.379 0.609 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.88 30.78 7.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.455 2.702 . . . . 0.0 111.087 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -93.03 167.47 11.77 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 167.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.08 162.47 23.45 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 129.282 3.033 . . . . 0.0 106.899 -172.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 p -57.23 -25.47 59.16 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.261 0.482 . . . . 0.0 111.142 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -79.44 -42.75 24.7 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.833 0.825 . . . . 0.0 108.869 -166.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -76.98 -26.29 53.75 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.62 1.968 . . . . 0.0 110.852 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -15.86 61.18 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 117.232 -1.366 . . . . 0.0 112.411 177.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.68 -52.51 64.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -167.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.16 -37.67 86.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.706 2.402 . . . . 0.0 110.977 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.451 HD22 ' CZ3' ' A' ' 54' ' ' TRP . 0.5 OUTLIER -66.76 -26.43 66.97 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 128.411 2.685 . . . . 0.0 111.827 -177.67 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -96.35 -34.78 11.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 125.549 1.539 . . . . 0.0 110.297 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -55.79 -35.55 66.41 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 125.767 1.627 . . . . 0.0 110.536 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.85 -26.98 66.27 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.823 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.57 -20.73 65.89 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.521 1.51 . . . . 0.0 112.311 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -84.85 -19.29 32.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 118.538 -0.744 . . . . 0.0 110.767 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -81.67 -48.55 11.55 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.38 0.991 . . . . 0.0 109.883 172.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.63 158.63 41.42 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.769 1.228 . . . . 0.0 109.232 -166.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 4.47 49.24 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.645 1.111 . . . . 0.0 112.231 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -153.43 147.62 25.73 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 119.662 -1.899 . . . . 0.0 108.775 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.722 HD13 ' HD2' ' A' ' 37' ' ' ARG . 7.1 mt -130.09 98.11 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -172.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.86 171.74 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.832 1.653 . . . . 0.0 111.015 173.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.28 -46.09 91.04 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.923 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 m -61.44 -34.15 74.92 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.55 1.14 . . . . 0.0 111.665 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -79.49 -43.96 22.18 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -174.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.722 ' HD2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.19 -35.26 74.98 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 120.775 -1.203 . . . . 0.0 110.647 178.669 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.3 p -74.57 -10.45 59.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 117.348 -1.31 . . . . 0.0 111.992 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -67.78 -70.16 0.27 Allowed 'General case' 0 C--N 1.345 0.372 0 CA-C-N 120.458 1.481 . . . . 0.0 109.013 174.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mt -54.15 -42.43 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 119.887 1.222 . . . . 0.0 111.271 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.06 -36.29 67.9 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.863 0.756 . . . . 0.0 111.541 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -94.9 -3.51 48.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.44 1.896 . . . . 0.0 111.214 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.45 -27.8 27.27 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 120.216 -1.553 . . . . 0.0 109.038 -173.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.37 -88.45 0.62 Allowed 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.004 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.96 10.92 0.14 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.965 1.706 . . . . 0.0 111.497 -172.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -85.78 175.0 8.94 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.52 -1.363 . . . . 0.0 110.517 -162.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.61 116.43 26.6 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.586 1.555 . . . . 0.0 107.638 -173.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -56.56 -24.19 45.46 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.099 0.863 . . . . 0.0 112.259 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.0 t -57.67 -53.83 39.43 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 O-C-N 121.178 -0.951 . . . . 0.0 109.466 170.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.43 78.56 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.866 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.443 HG11 ' NE ' ' A' ' 37' ' ' ARG . 85.5 t -54.16 -38.71 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 119.014 0.825 . . . . 0.0 109.886 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -49.88 -49.93 47.66 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.607 1.163 . . . . 0.0 111.166 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.26 -21.75 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 124.275 1.03 . . . . 0.0 110.796 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CZ3' HD22 ' A' ' 22' ' ' LEU . 17.4 t90 -58.4 -38.89 78.3 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.51 -1.368 . . . . 0.0 109.186 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -64.36 -21.33 66.59 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -12.06 41.97 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 120.205 1.366 . . . . 0.0 111.342 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -91.86 -17.89 24.61 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.418 1.087 . . . . 0.0 112.478 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -167.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.406 ' HA ' HE22 ' A' ' 50' ' ' GLN . 5.5 m . . . . . 0 C--O 1.232 0.141 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.58 101.24 2.93 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.499 1.919 . . . . 0.0 106.541 166.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -129.24 -164.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 126.841 2.056 . . . . 0.0 108.005 169.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.3 p -140.47 157.49 45.43 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.957 2.103 . . . . 0.0 106.083 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -29.43 68.6 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.578 1.536 . . . . 0.0 111.792 174.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -23.62 51.15 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.301 1.84 . . . . 0.0 112.465 172.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -117.65 0.25 12.01 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.968 1.707 . . . . 0.0 111.279 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.8 mt -101.08 -4.13 27.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.892 1.277 . . . . 0.0 110.545 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.54 -59.66 2.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 122.517 1.151 . . . . 0.0 109.521 -163.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -69.53 -37.22 77.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 126.911 2.084 . . . . 0.0 109.478 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.1 -36.86 84.99 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 126.211 1.805 . . . . 0.0 110.749 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -82.14 -30.1 31.28 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.435 172.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -57.05 -43.83 82.37 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -33.94 70.32 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.316 1.847 . . . . 0.0 112.908 176.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.17 4.67 33.42 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 118.692 0.678 . . . . 0.0 112.757 -171.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -105.97 -58.64 1.88 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.821 0.848 . . . . 0.0 109.885 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.6 m -67.69 -20.3 65.27 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.094 1.357 . . . . 0.0 112.927 -174.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.34 125.27 9.87 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -170.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.93 8.13 33.83 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.613 0.765 . . . . 0.0 112.694 -161.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -149.48 141.21 23.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 tp -101.31 108.28 19.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m -79.32 176.22 9.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -42.28 89.02 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.588 -0.695 . . . . 0.0 112.013 -167.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 t -64.65 -41.59 96.02 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.609 0.64 . . . . 0.0 110.137 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -70.74 -42.17 70.87 Favored 'General case' 0 CA--C 1.521 -0.167 0 O-C-N 121.114 -0.991 . . . . 0.0 109.257 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.87 -32.04 73.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 122.126 -0.359 . . . . 0.0 111.319 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -80.23 -18.41 49.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.301 -1.333 . . . . 0.0 112.577 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.34 -59.7 4.93 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.015 1.279 . . . . 0.0 109.91 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mp -50.92 -37.06 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 C-N-CA 123.301 0.64 . . . . 0.0 111.787 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.18 -22.21 62.66 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.652 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -131.62 -7.15 3.66 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.806 1.185 . . . . 0.0 113.819 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.03 -32.01 27.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 mt -110.29 -89.15 0.49 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.837 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.35 1.79 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.387 1.875 . . . . 0.0 113.606 -165.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.72 -173.39 4.62 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -169.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 t -144.43 152.34 40.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.025 -1.047 . . . . 0.0 108.86 173.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.78 -36.85 84.46 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -161.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.12 -42.83 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 120.381 1.446 . . . . 0.0 109.276 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.406 HE22 ' HA ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -57.29 -40.68 78.31 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.027 0.531 . . . . 0.0 110.18 178.532 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -69.22 -48.32 69.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 126.196 1.798 . . . . 0.0 108.47 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -46.22 -42.91 14.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.431 1.492 . . . . 0.0 112.973 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 mt -79.84 -21.55 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.587 -0.696 . . . . 0.0 111.474 -176.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -62.6 -30.33 71.26 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 120.164 -1.585 . . . . 0.0 110.097 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -62.07 -35.14 77.75 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.587 0.755 . . . . 0.0 112.201 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -37.43 74.1 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.74 1.216 . . . . 0.0 110.173 174.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -78.48 -46.59 19.31 Favored 'General case' 0 C--O 1.23 0.056 0 O-C-N 121.721 -0.612 . . . . 0.0 110.16 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.275 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.42 14.58 20.34 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 124.487 1.115 . . . . 0.0 111.912 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -84.45 175.41 9.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.677 0.751 . . . . 0.0 109.094 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.503 ' H ' ' HB2' ' A' ' 18' ' ' GLN . 60.4 p -136.7 168.57 19.26 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.818 2.047 . . . . 0.0 108.398 -171.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -40.2 63.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.909 0.883 . . . . 0.0 111.345 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.45 -37.67 68.49 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.826 0.739 . . . . 0.0 111.13 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.503 ' HB2' ' H ' ' A' ' 15' ' ' THR . 38.6 mt-30 -70.6 0.69 6.35 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.334 -0.854 . . . . 0.0 112.535 -176.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD23 HD23 ' A' ' 22' ' ' LEU . 24.0 mt -113.56 0.06 14.53 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.896 1.678 . . . . 0.0 111.99 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.69 -27.24 63.85 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.592 1.157 . . . . 0.0 112.706 -168.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -106.43 -26.2 11.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.604 1.562 . . . . 0.0 109.693 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 HD23 ' A' ' 19' ' ' LEU . 23.0 tp -69.27 -55.37 10.71 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 126.553 1.941 . . . . 0.0 108.511 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.95 -37.04 85.48 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.715 0.689 . . . . 0.0 111.017 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.18 -58.24 9.06 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 125.673 1.589 . . . . 0.0 110.541 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.67 -42.25 99.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.0 -10.96 44.44 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -175.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.06 -49.11 75.84 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.238 0.926 . . . . 0.0 110.2 169.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.9 m -73.98 -24.17 59.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.566 1.147 . . . . 0.0 112.029 -174.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 117.33 6.96 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 124.303 1.041 . . . . 0.0 110.086 -166.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -71.15 3.62 3.39 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -155.11 171.74 19.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 120.468 1.485 . . . . 0.0 108.51 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -113.09 112.97 24.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.012 1.725 . . . . 0.0 108.543 -174.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 m -72.19 40.96 0.08 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.506 1.922 . . . . 0.0 113.27 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.28 -67.02 0.18 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 127.856 2.462 . . . . 0.0 114.564 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -55.61 -32.66 63.31 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.161 1.346 . . . . 0.0 109.932 171.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -62.34 -27.21 68.9 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.349 1.459 . . . . 0.0 110.176 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -68.46 -40.61 81.0 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.8 -0.563 . . . . 0.0 111.672 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -20.29 65.98 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.36 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.08 -61.13 2.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 118.685 0.675 . . . . 0.0 109.923 -171.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 44' ' ' LEU . 3.9 mp -63.36 -40.22 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.62 -16.71 63.98 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -108.95 -7.07 15.47 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.414 1.085 . . . . 0.0 112.102 172.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.06 -37.24 12.27 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 121.182 1.81 . . . . 0.0 110.313 -171.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.408 HD12 HG23 ' A' ' 40' ' ' ILE . 60.3 mt -108.02 -85.72 0.52 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -163.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 174.94 28.89 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.317 3.047 . . . . 0.0 110.818 -173.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -94.68 -179.05 4.74 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.7 m -127.46 134.43 49.84 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 124.658 1.183 . . . . 0.0 108.802 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -50.18 -48.24 54.2 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.427 1.091 . . . . 0.0 112.073 -172.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.68 -40.72 83.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 123.661 0.784 . . . . 0.0 110.574 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -40.36 91.72 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.77 -0.581 . . . . 0.0 110.261 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.4 t -63.88 -38.96 83.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -57.21 -7.6 0.57 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.598 1.959 . . . . 0.0 113.307 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.0 mt -116.81 -29.72 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 119.407 1.003 . . . . 0.0 110.939 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -55.38 -43.34 75.07 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 120.015 1.279 . . . . 0.0 110.118 -174.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -81.47 -28.64 34.03 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 121.578 -0.049 . . . . 0.0 111.016 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.6 -38.38 71.96 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.125 1.37 . . . . 0.0 110.221 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -69.25 -4.73 19.0 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.864 1.265 . . . . 0.0 112.909 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 . . . . . 0 CA--C 1.533 0.308 0 C-N-CA 125.889 1.676 . . . . 0.0 109.881 176.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.236 0.375 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.2 57.81 3.52 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.501 1.12 . . . . 0.0 109.128 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -131.66 160.33 35.71 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.635 0.774 . . . . 0.0 109.674 165.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.0 p -107.94 165.3 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.363 1.465 . . . . 0.0 110.046 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.48 -16.41 63.88 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -85.47 -43.79 13.28 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.698 1.199 . . . . 0.0 110.263 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -66.08 -29.63 70.0 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.811 -0.555 . . . . 0.0 111.374 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 mt -78.69 -17.13 56.4 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.831 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.46 -46.42 76.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 119.023 0.828 . . . . 0.0 109.408 -165.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -66.41 -42.9 87.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.792 2.037 . . . . 0.0 110.555 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.32 -44.94 92.52 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.579 1.151 . . . . 0.0 110.569 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -73.96 -33.17 63.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.484 0.713 . . . . 0.0 111.813 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -64.92 -61.11 2.37 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 124.794 1.238 . . . . 0.0 109.006 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.13 -14.67 26.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 117.474 -1.25 . . . . 0.0 111.903 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -21.06 65.94 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 122.262 2.301 . . . . 0.0 112.278 171.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -66.58 -36.05 81.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.266 1.026 . . . . 0.0 110.738 169.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.8 -32.77 25.16 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.534 0.733 . . . . 0.0 111.738 -173.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.532 ' HE3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -166.1 155.52 11.78 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.099 1.36 . . . . 0.0 109.139 -161.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 6.16 11.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -159.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.445 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 8.8 p90 -132.94 -163.86 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 127.284 2.234 . . . . 0.0 106.916 -174.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.532 HD12 ' HE3' ' A' ' 29' ' ' LYS . 1.7 tp -153.8 94.78 1.8 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 105.715 -1.958 . . . . 0.0 105.715 163.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -156.16 178.87 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 125.017 1.327 . . . . 0.0 109.994 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mp 58.39 -86.29 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 129.374 3.07 . . . . 0.0 111.402 -175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -97.2 -15.11 21.03 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.958 0.799 . . . . 0.0 109.279 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -97.67 -35.94 10.42 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 118.41 -0.805 . . . . 0.0 113.076 -155.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -58.66 -48.51 80.81 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 p -74.89 3.27 8.49 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.391 1.077 . . . . 0.0 112.784 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -78.23 -84.43 0.08 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 164.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mp -59.59 -38.04 73.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 118.66 0.663 . . . . 0.0 109.943 -171.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.86 -24.32 66.84 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 117.578 -1.201 . . . . 0.0 112.252 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -113.31 10.79 18.49 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.866 1.212 . . . . 0.0 110.796 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.87 -46.61 6.17 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 119.262 0.937 . . . . 0.0 108.957 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -117.96 -88.93 0.6 Allowed 'General case' 0 C--N 1.344 0.362 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.532 -166.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.497 ' H ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -158.45 39.43 0.24 Allowed 'General case' 0 C--O 1.239 0.537 0 C-N-CA 126.124 1.769 . . . . 0.0 110.717 -172.326 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 45' ' ' LYS . 6.2 mp -106.47 177.01 4.98 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.257 1.023 . . . . 0.0 109.017 -177.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -142.22 133.08 25.71 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.247 1.419 . . . . 0.0 107.243 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -52.42 -36.35 54.15 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.788 0.835 . . . . 0.0 112.4 -173.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.97 -48.44 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.309 0.643 . . . . 0.0 110.076 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -39.56 91.69 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.615 0.643 . . . . 0.0 110.332 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.32 -33.07 58.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.077 1.351 . . . . 0.0 109.709 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -56.88 -44.1 81.94 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.093 -1.004 . . . . 0.0 110.953 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.4 mp -73.63 -22.36 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 118.38 0.536 . . . . 0.0 110.298 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -63.9 -34.22 77.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.322 -1.486 . . . . 0.0 110.074 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -60.71 -47.55 85.76 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.059 172.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -45.28 61.42 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.965 1.706 . . . . 0.0 109.992 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -63.53 -37.46 87.39 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.265 -0.897 . . . . 0.0 110.628 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 123.914 0.885 . . . . 0.0 112.981 176.262 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.237 0.439 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.16 55.91 0.67 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.146 1.378 . . . . 0.0 110.121 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -126.67 175.05 8.25 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.562 1.545 . . . . 0.0 108.506 167.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.3 p -111.28 172.44 6.88 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.966 1.306 . . . . 0.0 109.578 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -34.12 67.79 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.866 -1.146 . . . . 0.0 111.823 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.45 -47.46 73.07 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.351 1.06 . . . . 0.0 110.606 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.428 ' HA ' HD13 ' A' ' 44' ' ' LEU . 33.3 mt-30 -58.51 -33.1 69.47 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.121 0.486 . . . . 0.0 110.454 -178.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mp -71.08 19.92 0.05 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.784 2.033 . . . . 0.0 113.131 172.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.31 -61.47 1.93 Allowed 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 120.284 1.402 . . . . 0.0 108.804 162.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.35 -37.81 80.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 122.244 1.021 . . . . 0.0 109.072 -171.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.64 -25.17 67.24 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.925 1.29 . . . . 0.0 111.552 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -89.94 -30.35 17.89 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.053 0.941 . . . . 0.0 111.744 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -62.74 -53.32 56.23 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.0 0.63 3.34 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.328 1.451 . . . . 0.0 113.308 -177.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.96 -2.6 13.52 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.07 1.348 . . . . 0.0 112.634 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -98.07 -49.66 4.67 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.917 0.887 . . . . 0.0 109.759 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.3 m -71.38 -21.31 62.03 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.48 0.657 . . . . 0.0 110.257 -172.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.42 162.98 40.72 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 126.549 1.94 . . . . 0.0 108.76 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.41 13.94 13.65 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.125 0.57 . . . . 0.0 111.822 -176.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -153.41 112.41 3.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.792 -1.193 . . . . 0.0 108.016 -172.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -79.96 103.65 10.0 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 121.219 -0.925 . . . . 0.0 108.566 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.4 m -76.94 91.88 3.63 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.564 0.746 . . . . 0.0 109.379 172.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 44.64 -76.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 129.566 3.146 . . . . 0.0 115.985 170.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -50.26 -39.14 44.14 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.73 1.15 . . . . 0.0 110.617 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.06 -26.18 67.38 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.142 -0.973 . . . . 0.0 108.833 -175.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -72.43 -56.79 4.86 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.768 -1.207 . . . . 0.0 109.468 172.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.7 m -62.07 -18.48 60.82 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -65.01 -68.44 0.36 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.715 1.606 . . . . 0.0 109.36 -171.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mp -61.17 -30.71 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.78 -1.81 4.31 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.135 1.374 . . . . 0.0 114.485 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -129.63 -10.41 4.5 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 120.745 1.612 . . . . 0.0 112.559 163.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.47 -31.65 42.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -172.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 18' ' ' GLN . 12.5 mt -109.11 -88.37 0.49 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 117.909 -1.043 . . . . 0.0 113.063 -168.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.78 41.29 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 1 C-N-CA 133.573 4.749 . . . . 0.0 107.976 -170.51 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.414 ' CD1' HE21 ' A' ' 18' ' ' GLN . 6.2 mp -119.26 166.99 12.3 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 119.766 -1.834 . . . . 0.0 109.07 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -133.42 140.33 47.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -54.31 -40.32 67.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.509 1.123 . . . . 0.0 111.498 -175.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 p -54.94 -39.63 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 C-N-CA 124.616 1.166 . . . . 0.0 111.851 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -38.39 40.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.469 0.577 . . . . 0.0 109.995 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.62 -39.16 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 123.828 0.851 . . . . 0.0 110.784 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -59.17 -26.61 64.93 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.74 1.154 . . . . 0.0 112.344 -177.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.7 mt -85.05 -21.62 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.307 1.043 . . . . 0.0 110.289 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -59.32 -39.91 84.6 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 120.492 -1.38 . . . . 0.0 109.233 172.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -66.23 -37.5 85.68 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 119.572 -0.251 . . . . 0.0 110.856 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -40.67 63.91 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.231 1.012 . . . . 0.0 110.225 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -74.33 -52.81 11.14 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.029 0.932 . . . . 0.0 110.566 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 . . . . . 0 N--CA 1.47 0.542 0 O-C-N 121.037 -1.039 . . . . 0.0 113.496 -172.696 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.0 m . . . . . 0 C--O 1.234 0.264 0 CA-C-O 121.266 0.555 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.73 92.77 3.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.371 1.868 . . . . 0.0 106.539 169.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -124.08 -172.05 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 166.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.51 152.38 41.41 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.533 1.133 . . . . 0.0 109.017 -172.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -54.58 -4.35 0.06 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 128.312 2.645 . . . . 0.0 114.57 166.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -94.61 -24.84 17.03 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 168.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -100.81 -21.66 15.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 125.878 1.671 . . . . 0.0 111.407 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.6 mt -69.91 -16.94 63.3 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 116.727 -1.606 . . . . 0.0 112.669 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.0 -48.51 79.8 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 120.866 1.666 . . . . 0.0 110.598 -173.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -73.02 -29.49 63.05 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.853 1.261 . . . . 0.0 110.113 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.72 -57.16 8.7 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.924 1.29 . . . . 0.0 108.846 175.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -67.98 -23.8 65.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.591 1.556 . . . . 0.0 112.078 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.69 -58.14 7.09 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.77 -40.38 97.11 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.01 -18.4 60.41 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.282 -0.866 . . . . 0.0 113.133 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -73.44 -27.32 61.36 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 120.15 1.341 . . . . 0.0 111.521 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 m -110.94 -19.98 12.6 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.466 1.106 . . . . 0.0 111.05 -166.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HD3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -147.48 136.67 22.39 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 121.457 -0.777 . . . . 0.0 109.077 171.256 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.19 -9.93 59.69 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.764 0.826 . . . . 0.0 111.912 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -146.59 120.81 9.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.506 1.522 . . . . 0.0 108.319 -174.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.477 HD23 ' HD3' ' A' ' 29' ' ' LYS . 65.9 mt -84.35 117.19 23.44 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 126.422 1.889 . . . . 0.0 108.642 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 m -87.37 59.63 5.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.742 0.782 . . . . 0.0 112.458 -170.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tt 72.89 -56.0 0.67 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 128.635 2.774 . . . . 0.0 111.325 173.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -60.88 -40.57 93.53 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 126.177 1.791 . . . . 0.0 111.53 177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -80.62 -27.26 37.35 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.242 1.417 . . . . 0.0 109.1 -171.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -35.65 81.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.567 -0.708 . . . . 0.0 109.736 167.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -85.13 22.1 1.52 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.775 1.23 . . . . 0.0 110.978 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -88.55 -80.29 0.29 Allowed 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 161.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.507 HD12 ' H ' ' A' ' 40' ' ' ILE . 3.7 mp -53.5 -44.91 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.815 0.846 . . . . 0.0 111.185 -167.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.12 -14.39 36.35 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -125.99 16.87 7.92 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.188 0.904 . . . . 0.0 110.98 175.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.0 -38.73 3.02 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.199 1.0 . . . . 0.0 112.035 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.7 mt -111.83 -89.73 0.51 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.475 1.034 . . . . 0.0 111.661 -174.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.96 31.59 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.703 2.401 . . . . 0.0 109.105 -166.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.01 138.19 51.44 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.8 m -86.46 140.69 29.72 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.524 -0.274 . . . . 0.0 111.653 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -44.11 -53.01 6.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.042 2.537 . . . . 0.0 111.532 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.5 -44.92 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 126.137 1.775 . . . . 0.0 110.641 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -45.96 69.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 122.957 0.503 . . . . 0.0 110.169 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.9 t -57.76 -34.65 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 124.039 0.935 . . . . 0.0 109.918 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -53.44 -39.43 64.42 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.019 -1.051 . . . . 0.0 111.041 174.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -79.1 -32.37 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 CA-C-O 116.91 -1.519 . . . . 0.0 111.266 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 24.0 t90 -51.33 -43.99 61.88 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 121.364 1.893 . . . . 0.0 108.899 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -65.98 -14.95 62.52 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -65.42 -34.97 79.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 122.531 2.423 . . . . 0.0 110.043 169.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -76.6 -33.75 58.42 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.535 -0.728 . . . . 0.0 111.095 -167.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -166.738 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.409 HG21 ' CD2' ' A' ' 14' ' ' PHE . 8.8 t . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.16 38.64 1.93 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 127.167 2.187 . . . . 0.0 108.338 169.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.409 ' CD2' HG21 ' A' ' 12' ' ' THR . 26.8 m-85 -68.56 162.16 26.39 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.144 0.497 . . . . 0.0 109.898 168.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 p -96.59 147.71 23.6 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.123 1.769 . . . . 0.0 107.482 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 t -56.78 -37.15 70.71 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 125.21 1.404 . . . . 0.0 110.38 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.41 -41.34 84.76 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.635 1.174 . . . . 0.0 111.51 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HA ' HD13 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -86.3 -13.88 45.34 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.78 -0.575 . . . . 0.0 111.164 -167.076 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -70.85 -17.52 62.73 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.744 1.217 . . . . 0.0 113.059 171.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.88 -48.33 71.89 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 120.323 1.42 . . . . 0.0 110.582 -173.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.55 -37.06 79.61 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.177 1.391 . . . . 0.0 110.757 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.2 -54.14 50.36 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.626 1.17 . . . . 0.0 108.823 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.01 -40.3 94.7 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.249 0.62 . . . . 0.0 111.554 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -51.49 -44.65 62.55 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 124.926 1.291 . . . . 0.0 111.063 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.93 -49.36 25.05 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.815 -0.553 . . . . 0.0 110.751 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -19.28 57.28 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -53.49 -63.06 1.27 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.793 2.037 . . . . 0.0 110.137 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 m -71.87 -63.29 1.16 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 173.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.74 95.43 5.41 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -161.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 11.35 0.08 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.921 1.688 . . . . 0.0 112.818 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -148.63 147.62 29.17 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 124.713 1.205 . . . . 0.0 108.239 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.15 154.97 19.11 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.683 1.193 . . . . 0.0 109.157 175.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.415 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 47.0 t -108.92 84.84 1.99 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.465 1.906 . . . . 0.0 107.143 170.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 43.42 -76.25 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 129.891 3.277 . . . . 0.0 114.941 168.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.2 m -44.65 -40.44 5.86 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.468 1.907 . . . . 0.0 111.375 169.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 33' ' ' SER . 5.9 mm-40 -63.47 -36.95 85.43 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.382 1.073 . . . . 0.0 108.861 -177.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -61.37 -40.23 93.56 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -73.88 -6.03 44.7 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 116.602 -1.666 . . . . 0.0 113.215 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.61 -73.19 0.11 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-N 121.188 1.813 . . . . 0.0 108.601 174.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.33 -43.22 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 118.294 0.497 . . . . 0.0 111.076 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.7 -39.42 73.82 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 117.997 -1.002 . . . . 0.0 111.924 -175.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -98.7 -8.21 26.53 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.646 1.178 . . . . 0.0 111.827 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.02 -49.56 8.2 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 18' ' ' GLN . 17.1 mt -92.92 -86.09 0.25 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.268 -168.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 174.42 14.42 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.687 1.995 . . . . 0.0 112.655 -167.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mp -76.85 -174.25 2.99 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.709 -1.245 . . . . 0.0 109.023 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -123.99 121.97 36.69 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -51.65 -32.78 30.76 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.217 1.807 . . . . 0.0 113.984 -173.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 p -64.5 -50.39 76.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.52 0.6 . . . . 0.0 110.397 175.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -45.48 84.37 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.996 0.903 . . . . 0.0 108.571 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.98 -50.27 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 125.046 1.339 . . . . 0.0 109.594 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 8.3 pttt -62.98 -7.87 6.13 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.07 -31.32 2.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 119.775 1.17 . . . . 0.0 111.314 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -51.74 -44.02 63.11 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.424 0.689 . . . . 0.0 109.396 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CE2' ' HA ' ' A' ' 52' ' ' LYS . 25.4 p90 -80.0 -36.99 35.14 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.217 176.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -50.69 -38.46 47.05 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.529 1.532 . . . . 0.0 112.349 -171.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -56.13 -38.78 71.26 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.85 -0.595 . . . . 0.0 111.872 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 . . . . . 0 C--N 1.341 0.228 0 CA-C-N 119.597 1.089 . . . . 0.0 112.685 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.86 33.75 0.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.15 1.78 . . . . 0.0 113.09 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -120.32 -179.24 3.89 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.219 0.918 . . . . 0.0 110.447 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 p -126.2 169.98 12.29 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.775 1.63 . . . . 0.0 108.529 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 t -69.01 -34.55 75.44 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.528 0.603 . . . . 0.0 111.142 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -64.98 -47.0 79.14 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -68.74 -8.4 42.6 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.12 -2.95 48.9 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.751 1.62 . . . . 0.0 112.014 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.27 -57.22 5.12 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 120.449 1.477 . . . . 0.0 110.893 -167.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.35 -39.79 95.5 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.592 1.157 . . . . 0.0 109.437 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.581 HD13 HG21 ' A' ' 40' ' ' ILE . 7.7 tp -64.24 -33.5 75.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 127.089 2.156 . . . . 0.0 110.808 -173.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -83.92 -35.17 24.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.382 0.673 . . . . 0.0 112.721 169.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -69.78 -46.24 66.2 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 118.873 0.76 . . . . 0.0 109.627 -170.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -64.91 -16.89 63.82 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.65 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.61 -4.54 27.72 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.193 0.906 . . . . 0.0 112.904 171.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -82.66 -30.75 29.1 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.639 1.109 . . . . 0.0 112.436 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.6 m -119.8 -12.87 9.15 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -169.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.43 169.43 17.7 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.416 1.886 . . . . 0.0 106.944 160.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.03 18.4 11.68 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.567 0.622 . . . . 0.0 111.878 -174.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -160.18 97.45 1.25 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' CD2' HD12 ' A' ' 22' ' ' LEU . 6.5 mp -56.33 101.59 0.06 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 167.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 m -147.85 178.32 8.6 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 128.485 2.714 . . . . 0.0 107.324 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? 62.78 -86.11 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 128.563 2.745 . . . . 0.0 112.821 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.546 HG23 ' HG2' ' A' ' 36' ' ' GLU . 6.0 t -103.1 -26.88 12.87 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 173.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.546 ' HG2' HG23 ' A' ' 35' ' ' THR . 0.9 OUTLIER -81.55 -23.55 37.14 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 121.299 -0.876 . . . . 0.0 109.576 -155.64 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -62.21 -45.39 93.55 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 170.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 m -77.41 -25.42 50.77 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.977 0.911 . . . . 0.0 111.103 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -60.62 -63.01 1.45 Allowed 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 124.264 1.025 . . . . 0.0 108.442 -170.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.672 HG23 HD12 ' A' ' 44' ' ' LEU . 2.4 mp -67.33 -39.69 83.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -176.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.61 -26.54 65.54 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 118.113 -0.946 . . . . 0.0 112.023 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -120.07 20.34 12.11 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.091 0.956 . . . . 0.0 111.709 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.4 -34.61 2.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 117.161 -1.4 . . . . 0.0 113.522 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.672 HD12 HG23 ' A' ' 40' ' ' ILE . 23.1 mt -97.21 -88.78 0.29 Allowed 'General case' 0 C--N 1.346 0.417 0 CA-C-N 120.423 1.465 . . . . 0.0 109.925 -174.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -171.42 24.99 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 130.097 3.359 . . . . 0.0 111.382 -169.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.71 -178.99 3.81 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -175.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t -146.08 153.17 40.4 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.31 -41.61 97.28 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.004 0.922 . . . . 0.0 111.104 -170.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.456 ' O ' ' HE2' ' A' ' 52' ' ' LYS . 14.5 p -51.9 -33.49 15.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 C-N-CA 125.847 1.659 . . . . 0.0 112.741 174.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.74 -41.38 14.18 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 118.496 0.589 . . . . 0.0 110.557 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.05 -34.45 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 O-C-N 121.377 -0.827 . . . . 0.0 110.887 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HE2' ' O ' ' A' ' 49' ' ' VAL . 40.5 pttt -55.38 -34.38 64.28 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.828 1.194 . . . . 0.0 111.82 176.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.4 mt -82.38 -23.79 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.553 1.141 . . . . 0.0 109.325 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -61.44 -35.76 78.47 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 120.449 -1.407 . . . . 0.0 110.122 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -66.33 -18.03 65.11 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.837 -0.54 . . . . 0.0 111.695 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.33 3.92 1.12 Allowed 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.48 -1.388 . . . . 0.0 112.432 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -115.92 -18.62 10.67 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 124.701 1.2 . . . . 0.0 112.255 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -162.033 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 13' ' ' ALA . 7.4 m . . . . . 0 CA--C 1.54 0.572 0 CA-C-O 121.673 0.749 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.524 ' H ' HG22 ' A' ' 12' ' ' THR . . . -118.05 44.49 2.19 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.954 1.702 . . . . 0.0 112.189 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -125.79 -166.02 1.5 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.9 1.68 . . . . 0.0 109.271 174.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.6 p -132.65 164.15 27.36 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.007 1.323 . . . . 0.0 108.532 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.3 p -65.6 -14.85 62.0 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.414 -0.804 . . . . 0.0 112.472 173.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -98.4 -4.88 33.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.878 1.671 . . . . 0.0 111.21 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -107.21 -30.94 8.45 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.64 2.376 . . . . 0.0 109.435 169.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.75 -4.26 11.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.431 1.092 . . . . 0.0 112.837 171.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -45.2 76.93 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 120.158 1.345 . . . . 0.0 111.061 -173.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.6 -26.09 12.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 123.399 0.437 . . . . 0.0 109.938 -175.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.08 -49.22 78.5 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.308 1.043 . . . . 0.0 110.714 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -65.73 -25.87 67.48 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 121.895 -0.503 . . . . 0.0 111.852 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -70.28 -13.02 61.98 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.943 1.297 . . . . 0.0 111.643 -177.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -49.08 79.23 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 118.82 0.736 . . . . 0.0 109.189 173.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.11 -1.2 11.54 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 126.359 1.864 . . . . 0.0 113.804 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -98.35 -0.97 42.72 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.126 0.971 . . . . 0.0 111.658 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.16 -32.66 0.78 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.392 1.077 . . . . 0.0 111.956 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -133.13 177.2 7.85 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 126.634 1.974 . . . . 0.0 105.928 169.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -140.98 27.05 2.0 Favored 'General case' 0 N--CA 1.423 -1.783 0 C-N-CA 123.253 0.621 . . . . 0.0 110.96 167.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -148.48 62.77 1.08 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.936 1.694 . . . . 0.0 108.626 -166.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.66 109.3 0.6 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.946 1.298 . . . . 0.0 110.701 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.3 t -65.03 176.35 1.28 Allowed 'General case' 0 C--O 1.238 0.473 0 C-N-CA 125.834 1.654 . . . . 0.0 111.229 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -54.95 27.56 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.88 1.272 . . . . 0.0 109.072 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -64.88 -31.08 72.14 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.066 0.946 . . . . 0.0 111.692 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.83 -39.73 23.56 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.691 0.796 . . . . 0.0 109.062 -167.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -56.55 -47.14 80.09 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 170.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.2 m -65.79 -2.71 3.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.776 1.63 . . . . 0.0 114.493 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -74.92 -80.18 0.08 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 120.541 1.519 . . . . 0.0 106.959 166.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.478 HD12 ' H ' ' A' ' 40' ' ' ILE . 5.1 mp -52.38 -43.4 40.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 118.628 0.649 . . . . 0.0 111.308 -176.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.29 -10.81 57.39 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-O 118.294 -0.86 . . . . 0.0 112.817 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -133.79 36.67 3.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 120.115 1.325 . . . . 0.0 109.001 170.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.04 -63.43 1.11 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 118.247 -0.883 . . . . 0.0 109.329 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.05 -86.95 0.08 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -169.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -164.83 8.76 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.761 2.425 . . . . 0.0 111.305 -157.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 mp -105.94 141.87 36.6 Favored 'General case' 0 CA--C 1.522 -0.115 0 O-C-N 120.446 -1.408 . . . . 0.0 108.22 -167.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 m -77.69 140.63 39.57 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 170.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.29 -47.95 13.02 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.866 1.666 . . . . 0.0 111.002 170.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.8 t -59.06 -62.68 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.31 0.644 . . . . 0.0 109.532 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -35.22 64.03 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.828 0.851 . . . . 0.0 111.829 -171.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.8 -34.86 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 123.134 0.574 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -55.86 -37.21 68.47 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 120.721 -1.237 . . . . 0.0 112.135 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -81.12 -18.06 11.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 O-C-N 121.58 -0.7 . . . . 0.0 110.912 -173.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -58.6 -40.78 84.22 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 120.396 -1.44 . . . . 0.0 109.815 171.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -66.89 -26.92 67.11 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.259 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.37 -19.63 56.43 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.723 1.609 . . . . 0.0 110.831 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -87.01 -50.34 6.72 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 123.758 0.823 . . . . 0.0 111.305 167.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 . . . . . 0 N--CA 1.464 0.235 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -173.642 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.54 52.47 0.77 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 124.537 1.135 . . . . 0.0 110.429 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -120.32 -168.78 1.68 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.903 0.881 . . . . 0.0 110.606 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.4 p -139.67 169.25 18.07 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.648 1.579 . . . . 0.0 108.277 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.99 -25.87 61.14 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.115 0.87 . . . . 0.0 112.151 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -58.51 -58.95 6.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 169.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -56.8 -46.45 81.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.561 0.745 . . . . 0.0 111.989 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.36 -22.3 63.11 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 117.352 -1.309 . . . . 0.0 113.558 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD22 ' HE3' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -58.69 -34.38 71.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 120.437 1.471 . . . . 0.0 111.158 -175.437 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG3' HD21 ' A' ' 44' ' ' LEU . 2.0 mt-10 -76.97 -36.46 56.46 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.836 -0.54 . . . . 0.0 110.481 -175.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.69 -36.92 85.85 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 126.583 1.953 . . . . 0.0 110.518 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -67.92 -49.42 61.95 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.74 1.216 . . . . 0.0 110.371 173.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE3' HD22 ' A' ' 20' ' ' LEU . 75.5 mttt -53.7 -48.87 69.13 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.868 0.867 . . . . 0.0 112.643 -174.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.82 -38.44 78.63 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.355 0.41 . . . . 0.0 111.038 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -15.5 63.67 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.518 -0.753 . . . . 0.0 112.284 -173.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -77.44 -18.55 57.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.699 0.681 . . . . 0.0 111.563 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.7 t -111.78 -49.67 2.97 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.493 1.117 . . . . 0.0 110.51 -174.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.36 104.31 7.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.353 1.061 . . . . 0.0 108.515 -172.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -68.77 0.08 4.74 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.465 1.906 . . . . 0.0 112.299 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -132.38 120.44 22.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.755 2.022 . . . . 0.0 106.452 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -86.9 116.28 24.86 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.5 m -75.69 -170.34 1.27 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.352 0.596 . . . . 0.0 110.239 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -53.34 20.54 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 120.736 -1.228 . . . . 0.0 111.322 -168.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.2 m -69.26 -32.11 71.08 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.182 0.447 . . . . 0.0 110.885 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.67 -34.18 76.41 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.98 -17.33 51.32 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 172.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.9 m -97.23 -4.13 39.52 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.033 -1.46 . . . . 0.0 113.249 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -56.6 -62.81 1.47 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.584 1.538 . . . . 0.0 108.424 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.44 -36.83 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.629 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.61 73.68 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.828 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -95.35 -2.29 49.48 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.127 0.876 . . . . 0.0 112.989 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.802 ' HB3' HD22 ' A' ' 44' ' ' LEU . . . -82.87 -59.15 2.59 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 -173.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 43' ' ' ALA . 1.2 mm? -106.05 -89.15 0.44 Allowed 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 119.207 -0.997 . . . . 0.0 112.274 -162.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.61 7.67 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 129.496 3.118 . . . . 0.0 111.419 -160.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.67 177.14 4.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.055 -1.653 . . . . 0.0 108.59 -173.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.8 t -115.2 127.65 55.66 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 164.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -44.72 -45.1 9.66 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.708 2.003 . . . . 0.0 110.819 174.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.67 -19.69 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 126.292 1.837 . . . . 0.0 112.072 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.69 -39.99 12.83 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.795 1.638 . . . . 0.0 110.348 170.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -57.71 -43.12 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.98 0.912 . . . . 0.0 110.064 -177.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -50.97 -26.39 5.92 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.8 mp -87.72 -20.5 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 120.697 -1.252 . . . . 0.0 111.262 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -60.36 -35.8 76.54 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.751 -1.218 . . . . 0.0 109.313 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -68.92 -45.15 71.59 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.992 0.917 . . . . 0.0 110.039 174.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -14.72 17.93 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.092 1.357 . . . . 0.0 112.945 174.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -99.6 -12.02 20.45 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.936 1.295 . . . . 0.0 112.426 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 . . . . . 0 CA--C 1.531 0.231 0 CA-C-N 119.381 0.991 . . . . 0.0 111.338 168.232 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.303 0.573 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.37 23.3 13.36 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.583 1.953 . . . . 0.0 110.933 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -71.85 144.72 48.98 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.042 -1.036 . . . . 0.0 108.875 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.24 159.92 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 127.211 2.205 . . . . 0.0 109.409 -177.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.4 t -55.32 -28.2 52.08 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.558 1.143 . . . . 0.0 110.979 169.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -71.08 -23.82 62.19 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.818 1.19 . . . . 0.0 111.549 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -97.73 -12.9 21.79 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.756 1.222 . . . . 0.0 112.215 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mp -88.47 -6.64 57.5 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.893 -1.051 . . . . 0.0 111.946 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.35 -60.86 3.14 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.248 1.019 . . . . 0.0 109.768 -177.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.42 -30.67 71.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.163 1.385 . . . . 0.0 111.074 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mt -64.8 -48.89 72.8 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 124.383 1.073 . . . . 0.0 109.619 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -66.23 -35.06 79.44 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.591 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -64.05 -44.09 93.54 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.557 1.143 . . . . 0.0 110.159 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.15 -20.69 64.03 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.954 1.702 . . . . 0.0 112.323 172.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.4 0.11 57.08 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.301 1.04 . . . . 0.0 112.015 173.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.41 -52.55 17.97 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.865 1.211 . . . . 0.0 109.227 170.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.5 m -66.18 -54.09 29.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.198 0.999 . . . . 0.0 110.669 -173.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' HE2' HD12 ' A' ' 32' ' ' LEU . 2.3 pptp? -132.13 158.32 41.96 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.014 -159.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -88.45 -19.16 26.87 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -164.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -139.61 -167.54 2.29 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 124.388 1.075 . . . . 0.0 108.863 -150.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD12 ' HE2' ' A' ' 29' ' ' LYS . 2.3 tp -146.59 80.82 1.56 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -74.49 73.88 1.93 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.959 2.504 . . . . 0.0 109.557 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 44.13 -86.1 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 128.774 2.83 . . . . 0.0 112.054 -165.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.0 m -48.07 -32.29 6.57 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 129.192 2.997 . . . . 0.0 114.13 -163.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.34 -39.4 86.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.454 1.102 . . . . 0.0 108.991 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -64.02 -38.6 91.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.234 -0.916 . . . . 0.0 112.126 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.7 m -73.17 -11.08 60.4 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.738 1.215 . . . . 0.0 110.18 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -70.79 -69.63 0.35 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 166.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.418 HD12 ' H ' ' A' ' 40' ' ' ILE . 4.3 mp -53.67 -46.39 61.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 118.417 0.553 . . . . 0.0 110.135 -173.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.2 -12.15 48.2 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -124.09 -2.25 8.17 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.379 0.99 . . . . 0.0 111.415 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.15 -49.14 4.0 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.655 1.182 . . . . 0.0 109.778 -176.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mt -88.57 -88.14 0.15 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.967 -174.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -164.05 13.52 0.05 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 130.691 3.597 . . . . 0.0 111.993 -170.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.99 -176.08 3.45 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.518 -1.364 . . . . 0.0 111.43 -163.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.48 117.74 21.86 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.912 1.685 . . . . 0.0 109.412 -168.361 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.85 -35.69 61.77 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.086 1.312 . . . . 0.0 111.886 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.61 -52.26 63.04 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -43.85 78.29 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 123.069 0.548 . . . . 0.0 110.501 -176.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.04 -28.3 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 O-C-N 120.956 -1.09 . . . . 0.0 109.971 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -50.31 -34.52 23.9 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.378 1.071 . . . . 0.0 111.512 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.61 -29.16 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 119.011 0.823 . . . . 0.0 111.153 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -53.78 -38.98 65.03 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 121.01 -1.056 . . . . 0.0 111.607 -172.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -89.37 -36.38 15.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.217 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.7 -33.98 36.63 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.824 1.65 . . . . 0.0 111.541 175.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.02 -18.32 45.35 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 119.281 0.946 . . . . 0.0 111.142 178.105 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.4 HG23 ' CE2' ' A' ' 14' ' ' PHE . 4.5 m . . . . . 0 C--O 1.238 0.481 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.8 48.24 1.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.608 1.563 . . . . 0.0 108.147 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.4 ' CE2' HG23 ' A' ' 12' ' ' THR . 21.3 m-85 -77.31 -165.92 0.66 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.13 0.972 . . . . 0.0 108.813 171.475 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.42 158.36 43.97 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 126.055 1.742 . . . . 0.0 106.585 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -59.88 -25.58 65.19 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.4 -10.96 60.45 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.166 0.986 . . . . 0.0 112.383 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.435 ' HB3' HD11 ' A' ' 46' ' ' LEU . 34.3 mt-30 -122.1 -17.21 7.29 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.739 1.216 . . . . 0.0 111.376 177.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.75 -3.25 37.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.844 171.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.59 -52.32 58.13 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 120.651 1.569 . . . . 0.0 109.166 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.94 -35.78 81.8 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.387 1.075 . . . . 0.0 110.677 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tp -66.43 -48.5 69.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.346 1.458 . . . . 0.0 109.339 -173.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -71.9 -33.4 68.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.53 -0.748 . . . . 0.0 112.06 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -56.24 -54.16 48.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 119.32 0.964 . . . . 0.0 109.672 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.21 -43.42 98.9 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.444 0.698 . . . . 0.0 109.793 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -11.12 39.18 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -83.61 -34.55 25.08 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.989 1.268 . . . . 0.0 109.81 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.75 -39.23 76.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.869 0.868 . . . . 0.0 109.61 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.39 161.58 37.56 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 123.762 0.825 . . . . 0.0 109.575 -169.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 6.49 22.24 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -163.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -141.88 127.64 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.673 1.189 . . . . 0.0 107.892 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -88.79 99.29 12.25 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -65.96 -179.28 0.7 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.725 2.01 . . . . 0.0 111.182 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -56.92 12.49 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.318 -0.864 . . . . 0.0 112.266 -167.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 t -64.31 -28.4 69.69 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.324 1.059 . . . . 0.0 110.401 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.78 -32.73 71.37 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -75.56 -16.28 60.27 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.066 1.747 . . . . 0.0 112.357 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -13.59 43.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.91 0.884 . . . . 0.0 112.394 171.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -62.27 -66.77 0.49 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.787 1.176 . . . . 0.0 110.644 -171.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.82 -36.91 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.083 0.953 . . . . 0.0 110.103 -174.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.79 -32.42 67.52 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -107.74 0.32 22.24 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.711 0.687 . . . . 0.0 111.442 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.19 -36.81 13.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.904 0.881 . . . . 0.0 110.086 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.1 mt -119.41 -87.22 0.64 Allowed 'General case' 0 C--N 1.342 0.27 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -163.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER 174.15 11.92 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.217 2.207 . . . . 0.0 113.503 -166.614 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 18' ' ' GLN . 7.1 mp -71.58 178.69 3.39 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.163 -0.961 . . . . 0.0 108.94 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.3 m -124.68 121.21 34.06 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.704 1.202 . . . . 0.0 109.015 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.03 -39.56 72.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.306 1.442 . . . . 0.0 112.893 -162.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.25 -41.97 88.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.946 -0.471 . . . . 0.0 109.774 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -40.54 83.56 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.901 1.28 . . . . 0.0 110.239 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.6 -45.77 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -52.32 -24.64 7.86 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.399 1.48 . . . . 0.0 113.353 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 mt -104.05 -21.36 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 124.35 1.06 . . . . 0.0 110.369 -172.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -52.1 -44.84 64.62 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.923 1.238 . . . . 0.0 108.345 166.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.3 -21.42 66.6 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.56 -21.71 66.15 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 120.641 1.564 . . . . 0.0 111.003 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -83.02 -62.91 1.47 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 125.356 1.462 . . . . 0.0 108.983 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -169.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.1 m . . . . . 0 C--O 1.237 0.407 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.65 88.99 2.87 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 128.313 2.645 . . . . 0.0 105.529 170.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -120.24 163.65 17.46 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 163.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.8 p -114.15 164.03 14.41 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 125.777 1.631 . . . . 0.0 109.263 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 t -56.78 -42.84 80.13 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.634 -0.666 . . . . 0.0 109.991 173.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -52.9 -29.54 28.99 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.922 1.289 . . . . 0.0 114.223 173.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' HB3' HD11 ' A' ' 46' ' ' LEU . 70.5 mt-30 -95.94 -11.82 26.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.375 2.27 . . . . 0.0 112.111 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -101.11 -12.82 18.5 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.224 1.409 . . . . 0.0 112.817 -175.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.5 -59.78 4.02 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.899 1.279 . . . . 0.0 110.009 -174.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -71.65 -41.36 68.86 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.309 1.844 . . . . 0.0 108.128 -173.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.5 tp -58.93 -50.52 73.74 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 127.113 2.165 . . . . 0.0 110.664 -174.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.22 -47.19 62.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.973 1.709 . . . . 0.0 109.89 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -56.67 -46.19 81.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 118.869 0.759 . . . . 0.0 110.941 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -13.57 62.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.451 -178.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.03 -7.95 59.67 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 119.209 0.913 . . . . 0.0 112.331 173.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -82.27 -44.31 16.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.926 0.89 . . . . 0.0 110.539 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 89.1 m -86.26 -21.11 27.55 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.09 0.859 . . . . 0.0 111.048 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.64 113.59 5.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.5 17.82 0.81 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.07 0.948 . . . . 0.0 111.107 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -147.99 141.88 25.81 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 128.245 2.618 . . . . 0.0 107.133 -170.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.6 mt -113.16 105.28 13.26 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.594 1.958 . . . . 0.0 109.356 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.0 m -68.51 96.77 0.72 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.624 1.17 . . . . 0.0 109.227 165.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 43.54 -80.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 129.548 3.139 . . . . 0.0 115.212 164.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.3 m -54.39 -34.66 61.72 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.615 0.766 . . . . 0.0 111.006 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -69.78 -14.82 62.96 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.157 0.983 . . . . 0.0 110.364 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -97.3 0.52 48.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.263 1.825 . . . . 0.0 112.373 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 p -101.92 -22.33 14.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.008 0.923 . . . . 0.0 110.89 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -66.93 -59.91 3.1 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 123.73 0.812 . . . . 0.0 109.945 -164.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.71 -30.37 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 121.524 -0.735 . . . . 0.0 109.134 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.52 -6.43 30.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.991 1.317 . . . . 0.0 113.907 174.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -138.44 8.41 2.64 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.038 1.29 . . . . 0.0 113.479 175.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.79 -47.25 3.16 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.538 1.535 . . . . 0.0 109.539 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.13 -89.5 0.17 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.737 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.97 24.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.597 2.359 . . . . 0.0 108.804 -166.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 18' ' ' GLN . 6.4 mp -111.7 173.35 6.39 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 -175.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 m -142.66 141.7 31.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 118.357 -0.83 . . . . 0.0 108.937 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -47.2 -46.36 23.94 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.037 0.935 . . . . 0.0 112.228 -173.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.454 ' HA ' ' HE3' ' A' ' 52' ' ' LYS . 14.9 p -53.94 -38.39 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 124.264 1.025 . . . . 0.0 111.655 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -42.15 14.61 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.082 1.353 . . . . 0.0 109.859 177.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.82 -39.5 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 O-C-N 121.526 -0.734 . . . . 0.0 110.208 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 49' ' ' VAL . 10.8 ptpt -56.41 -22.83 34.21 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.382 0.992 . . . . 0.0 113.447 -178.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.9 mp -85.37 -20.98 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 O-C-N 120.243 -1.535 . . . . 0.0 111.435 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 36.5 t90 -59.1 -35.87 74.16 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.881 1.219 . . . . 0.0 109.491 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -72.06 -34.02 68.41 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.609 -0.682 . . . . 0.0 110.838 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -8.01 4.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.291 1.436 . . . . 0.0 111.705 171.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -121.73 -21.39 6.14 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 117.341 -1.314 . . . . 0.0 113.97 171.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 . . . . . 0 C--N 1.333 -0.117 0 CA-C-N 121.39 1.905 . . . . 0.0 110.679 178.948 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 67.09 5.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.124 0.97 . . . . 0.0 109.62 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -138.5 -164.91 1.72 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.381 1.472 . . . . 0.0 108.166 167.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.32 152.89 46.2 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 126.694 1.998 . . . . 0.0 107.365 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.89 -9.45 51.74 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.069 0.948 . . . . 0.0 112.123 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -40.51 55.28 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.447 1.022 . . . . 0.0 110.163 170.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -73.62 -44.8 56.12 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.07 -6.47 1.39 Allowed 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.347 1.459 . . . . 0.0 114.059 -177.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -62.37 -42.83 99.72 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 120.428 1.467 . . . . 0.0 110.164 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.73 -32.97 68.33 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.349 0.595 . . . . 0.0 110.318 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.39 -52.84 62.93 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 170.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -66.54 -30.9 71.32 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.053 0.541 . . . . 0.0 112.229 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -70.79 -46.4 62.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.515 0.726 . . . . 0.0 110.527 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -47.03 86.93 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 121.543 -0.723 . . . . 0.0 109.771 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.18 2.13 11.66 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -91.17 -29.3 17.33 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.973 1.309 . . . . 0.0 111.16 169.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.7 m -85.83 -38.85 17.69 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.758 0.823 . . . . 0.0 111.006 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -129.13 150.91 50.32 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 124.943 1.297 . . . . 0.0 109.501 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -93.66 32.07 1.47 Allowed 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.385 0.674 . . . . 0.0 110.362 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -163.19 -167.93 1.59 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 -172.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.1 mt -159.01 103.11 1.66 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 103.354 -2.832 . . . . 0.0 103.354 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.0 m -61.28 165.16 4.75 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -45.67 82.82 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.433 -0.792 . . . . 0.0 110.772 -165.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -50.84 -42.87 58.98 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 125.067 1.347 . . . . 0.0 111.902 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -71.4 -47.52 55.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.468 1.507 . . . . 0.0 107.773 -165.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -62.3 -39.55 93.35 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.261 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 m -58.94 -34.66 72.0 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 117.682 -1.152 . . . . 0.0 112.543 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -61.66 -61.07 2.78 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.5 mp -45.64 -54.24 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 123.843 0.857 . . . . 0.0 110.639 172.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.14 -18.62 64.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.685 -172.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -127.63 -2.03 6.09 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 119.391 0.996 . . . . 0.0 113.303 -168.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.68 -12.64 13.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.946 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.7 mt -113.64 -90.07 0.53 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.804 1.184 . . . . 0.0 110.576 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.49 33.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 130.233 3.413 . . . . 0.0 108.768 -168.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.82 166.25 10.51 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.099 -1.001 . . . . 0.0 109.099 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.89 119.61 32.08 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -174.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.79 -41.65 7.14 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.311 1.844 . . . . 0.0 113.19 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.9 t -70.05 -36.89 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 O-C-N 120.786 -1.196 . . . . 0.0 110.9 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -41.38 75.94 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.249 1.02 . . . . 0.0 110.105 176.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.3 -38.69 70.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.35 1.06 . . . . 0.0 108.947 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -54.73 -27.15 38.69 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.09 0.956 . . . . 0.0 113.377 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mt -102.56 -19.94 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 119.52 1.055 . . . . 0.0 110.471 -170.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -58.99 -32.1 69.39 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.295 -1.503 . . . . 0.0 110.178 172.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -54.65 -31.15 57.1 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.303 1.041 . . . . 0.0 112.391 172.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.53 10.75 0.16 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.55 1.94 . . . . 0.0 113.316 176.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -126.41 -53.13 1.48 Allowed 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 126.529 1.932 . . . . 0.0 107.876 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 tpt85 . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -177.902 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 121.005 0.431 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.67 89.56 2.0 Allowed 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 167.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -128.8 179.33 5.77 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.619 1.967 . . . . 0.0 108.074 168.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.75 154.63 39.22 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 127.145 2.178 . . . . 0.0 107.613 -176.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -15.61 9.66 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.35 1.06 . . . . 0.0 112.775 169.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.59 -49.8 43.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 119.688 1.131 . . . . 0.0 110.395 171.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.42 ' HA ' HD22 ' A' ' 44' ' ' LEU . 7.4 mt-30 -88.49 -21.02 24.39 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.006 -172.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.01 -30.38 68.76 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 121.099 -1.001 . . . . 0.0 111.235 172.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -38.64 79.06 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.544 0.738 . . . . 0.0 112.708 -163.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.494 ' HB2' HD11 ' A' ' 44' ' ' LEU . 3.1 mt-10 -86.56 -32.64 20.57 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.222 1.009 . . . . 0.0 110.599 -173.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -48.53 70.83 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 126.523 1.929 . . . . 0.0 111.053 171.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.34 -30.99 62.26 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 123.906 0.882 . . . . 0.0 112.243 -178.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -58.87 6.1 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 172.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -77.69 30.15 0.16 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.065 1.346 . . . . 0.0 112.096 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -129.43 2.27 5.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.588 1.155 . . . . 0.0 112.107 164.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -73.45 -62.45 1.48 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 86.4 m -78.93 -22.5 45.69 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -169.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.503 ' HE2' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.15 125.76 32.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 -174.861 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.04 42.95 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -158.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -176.91 -174.08 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.5 1.52 . . . . 0.0 107.094 -175.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.503 HD23 ' HE2' ' A' ' 29' ' ' LYS . 29.9 mt -138.13 96.35 3.18 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 169.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -69.38 168.91 13.38 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.922 1.289 . . . . 0.0 109.587 169.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.25 -53.14 59.83 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.42 1.009 . . . . 0.0 111.135 -166.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 m -60.73 -40.96 94.34 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.937 0.895 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.94 -36.22 79.75 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.579 0.752 . . . . 0.0 109.527 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -68.88 -21.47 64.25 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.439 1.496 . . . . 0.0 110.737 -174.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.9 p -95.94 -5.66 40.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.46 1.027 . . . . 0.0 112.605 173.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.93 -59.55 5.19 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.51 1.504 . . . . 0.0 110.166 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mp -54.19 -50.92 52.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 C-N-CA 124.876 1.27 . . . . 0.0 109.301 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.25 -25.43 67.08 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -174.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -78.26 -9.33 59.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.468 1.107 . . . . 0.0 112.628 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.25 -2.6 1.12 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.214 1.37 . . . . 0.0 112.879 -166.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 21' ' ' GLU . 30.2 mt -147.31 115.28 6.5 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 129.404 3.082 . . . . 0.0 104.393 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HD3' ' H ' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -58.12 33.23 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.752 1 C-N-CA 131.82 4.048 . . . . 0.0 114.405 175.95 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -179.54 0.35 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.1 2.56 . . . . 0.0 112.259 173.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.6 m -98.46 110.86 23.38 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.296 1.438 . . . . 0.0 109.391 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.6 -26.41 63.64 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.285 1.034 . . . . 0.0 112.97 -177.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.53 -46.46 95.43 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 O-C-N 121.385 -0.822 . . . . 0.0 108.937 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -37.42 75.55 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.247 1.419 . . . . 0.0 111.376 -170.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -56.24 -32.81 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -56.2 -22.62 30.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.969 2.108 . . . . 0.0 113.879 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -111.02 -25.58 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 119.233 0.924 . . . . 0.0 110.347 -176.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -58.11 -37.57 74.81 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.289 -0.882 . . . . 0.0 112.172 -171.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -82.15 -29.37 31.63 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 122.272 -0.268 . . . . 0.0 111.352 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.9 -35.69 73.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.954 1.702 . . . . 0.0 110.141 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -55.24 -42.92 74.08 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.529 -0.732 . . . . 0.0 110.566 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.633 0 C-N-CA 125.341 1.456 . . . . 0.0 113.396 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.241 0.613 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.5 3.43 53.97 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -86.48 171.26 11.23 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.345 1.058 . . . . 0.0 111.366 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.1 p -93.19 179.48 5.41 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 126.652 1.981 . . . . 0.0 108.572 -178.071 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -80.73 -38.31 29.0 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 120.737 -1.227 . . . . 0.0 108.519 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -67.57 -9.27 41.21 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -113.98 -14.11 12.46 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.542 1.065 . . . . 0.0 112.832 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.86 -8.52 56.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.919 1.688 . . . . 0.0 113.338 170.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -69.08 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 119.866 1.212 . . . . 0.0 112.259 -164.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.98 -20.86 64.18 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.952 0.501 . . . . 0.0 111.581 -177.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.505 ' HG ' HG21 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -52.22 -45.87 65.43 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.719 1.207 . . . . 0.0 111.172 166.192 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.98 -28.14 57.75 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.861 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -60.33 -51.96 67.31 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 119.59 1.087 . . . . 0.0 108.802 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -54.64 14.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.284 0.634 . . . . 0.0 111.761 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.25 -5.8 30.19 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -171.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -72.3 -52.34 16.69 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.151 0.581 . . . . 0.0 109.484 168.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 84.0 m -72.76 -55.75 6.27 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.814 1.246 . . . . 0.0 109.655 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.84 102.84 9.1 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 122.698 1.237 . . . . 0.0 108.13 -168.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.45 39.94 0.48 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.431 1.492 . . . . 0.0 110.37 -166.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -171.93 138.83 1.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.953 2.101 . . . . 0.0 105.774 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mt -117.31 102.04 8.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -65.14 -179.31 0.55 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.268 1.427 . . . . 0.0 111.851 174.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -51.4 16.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.275 1.43 . . . . 0.0 113.036 -172.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.7 m -57.45 -51.94 67.4 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.604 1.562 . . . . 0.0 110.396 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -72.99 -40.39 65.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.749 2.019 . . . . 0.0 108.876 -163.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -64.69 -23.04 67.12 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.097 -1.627 . . . . 0.0 111.769 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 t -85.25 -10.91 55.98 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 120.487 1.494 . . . . 0.0 112.395 173.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -68.73 -66.81 0.53 Allowed 'General case' 0 C--N 1.342 0.273 0 CA-C-N 120.741 1.61 . . . . 0.0 109.659 -170.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.505 HG21 ' HG ' ' A' ' 22' ' ' LEU . 4.7 mp -58.36 -45.92 89.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.81 -6.5 2.73 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.2 1.4 . . . . 0.0 114.522 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -136.16 14.35 3.29 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.959 1.254 . . . . 0.0 111.547 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.5 -46.43 5.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.79 1.236 . . . . 0.0 109.94 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 40' ' ' ILE . 1.1 mt -101.77 -88.16 0.39 Allowed 'General case' 0 C--N 1.349 0.586 0 CA-C-O 117.451 -1.261 . . . . 0.0 111.276 -169.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -159.92 -1.21 0.07 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.029 2.531 . . . . 0.0 114.736 -167.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.74 151.49 27.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.843 1.257 . . . . 0.0 110.377 -166.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.68 128.91 36.16 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.47 1.508 . . . . 0.0 109.933 170.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -48.48 -43.11 34.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.2 1.4 . . . . 0.0 112.013 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.0 t -47.81 -53.03 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.245 1.418 . . . . 0.0 110.232 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -36.53 82.71 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.277 1.831 . . . . 0.0 110.643 -176.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -70.87 -43.45 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.489 1.516 . . . . 0.0 110.24 -174.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -50.38 -40.49 49.76 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.366 -0.834 . . . . 0.0 110.886 175.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.2 mt -77.11 -22.45 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 124.299 1.04 . . . . 0.0 110.468 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.416 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 19.3 t90 -56.56 -40.94 76.03 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 120.687 1.585 . . . . 0.0 108.577 174.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -65.63 -34.39 78.11 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.591 -0.693 . . . . 0.0 111.653 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.358 3.2 pt20 -72.66 -16.42 61.7 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -111.82 -1.19 15.65 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HG3' ' CD2' ' A' ' 54' ' ' TRP . 12.9 mmm180 . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.234 0.288 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.78 70.05 1.33 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 166.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -98.71 165.89 11.58 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.469 ' H ' ' HG3' ' A' ' 18' ' ' GLN . 1.3 p -120.95 172.27 8.04 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.433 1.493 . . . . 0.0 108.359 -177.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -60.91 -32.5 71.97 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 119.072 -0.49 . . . . 0.0 111.023 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.58 -19.38 63.67 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.617 1.167 . . . . 0.0 112.046 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' H ' ' A' ' 15' ' ' THR . 2.8 mt-30 -96.8 -43.03 7.69 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.169 1.388 . . . . 0.0 108.763 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 mt -67.67 -12.74 61.14 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 124.779 1.232 . . . . 0.0 112.618 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.14 -55.05 15.83 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 120.662 1.574 . . . . 0.0 108.177 -167.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -72.44 -26.87 62.0 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.12 0.968 . . . . 0.0 111.376 -174.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.3 tp -79.88 -33.15 40.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.653 2.381 . . . . 0.0 111.603 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.07 -26.3 43.05 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.945 -0.472 . . . . 0.0 109.94 167.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -73.75 -38.44 64.74 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.109 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.94 -51.46 67.58 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.362 0.983 . . . . 0.0 108.973 177.458 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -78.37 13.23 1.61 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.016 1.326 . . . . 0.0 112.375 -168.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.0 -5.37 13.79 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.645 1.111 . . . . 0.0 111.671 170.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.8 m -126.94 -0.66 6.59 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.25 132.64 26.75 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 119.557 1.072 . . . . 0.0 108.336 163.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -71.4 -11.71 61.03 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.567 165.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.93 100.78 4.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.355 0.98 . . . . 0.0 111.451 -164.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 32' ' ' LEU . 11.1 mt -69.18 113.58 6.66 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 168.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.2 t -159.25 -160.71 0.87 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 129.476 3.11 . . . . 0.0 104.955 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 52.52 40.1 29.17 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.389 1.876 . . . . 0.0 111.916 174.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.296 1.4 t 51.27 10.84 0.09 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.578 2.351 . . . . 0.0 115.001 -171.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HA ' ' HG3' ' A' ' 39' ' ' GLN . 2.7 mm-40 -65.69 -33.88 76.92 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 120.162 -1.587 . . . . 0.0 108.931 174.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -3.13 4.87 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.662 -0.685 . . . . 0.0 112.793 175.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.0 m -122.16 13.66 10.46 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.628 1.571 . . . . 0.0 108.959 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HG3' ' HA ' ' A' ' 36' ' ' GLU . 4.8 mm100 -79.0 -64.39 1.19 Allowed 'General case' 0 C--N 1.345 0.392 0 CA-C-N 119.198 0.908 . . . . 0.0 108.651 172.437 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -62.38 -35.58 70.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -163.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.06 -13.79 62.27 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -111.67 -15.11 13.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.761 1.164 . . . . 0.0 112.228 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.58 -17.99 13.6 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 117.648 -1.168 . . . . 0.0 111.472 -157.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -122.98 -86.06 0.65 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 119.155 0.889 . . . . 0.0 112.702 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 43.46 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 128.725 2.81 . . . . 0.0 109.494 -172.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 18' ' ' GLN . 5.8 mp -113.08 -169.43 1.48 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.315 1.046 . . . . 0.0 108.789 176.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -137.31 134.69 36.35 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.477 1.511 . . . . 0.0 110.287 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -39.84 95.84 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.065 0.946 . . . . 0.0 113.492 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.2 t -58.57 -45.14 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -35.84 71.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.397 0.679 . . . . 0.0 110.385 -174.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 51' ' ' VAL . 3.7 t -60.96 -37.77 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 121.158 -0.964 . . . . 0.0 110.74 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -54.69 -23.1 15.98 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.981 0.912 . . . . 0.0 111.201 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -109.96 -26.44 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.128 1.771 . . . . 0.0 111.151 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -54.69 -39.79 68.5 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.825 1.648 . . . . 0.0 109.669 173.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -52.35 -40.96 62.63 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.479 1.112 . . . . 0.0 112.708 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -55.32 -46.48 76.33 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.805 1.642 . . . . 0.0 110.01 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -66.11 -49.71 66.55 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 124.311 1.044 . . . . 0.0 110.302 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 . . . . . 0 C--N 1.343 0.283 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.72 -177.121 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.256 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.73 5.34 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.359 1.863 . . . . 0.0 111.851 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -79.85 178.56 8.11 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.253 1.421 . . . . 0.0 110.261 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.5 p -141.82 169.19 18.05 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.924 1.29 . . . . 0.0 108.983 -169.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -59.92 -43.64 94.76 Favored 'General case' 0 C--O 1.23 0.035 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.06 -34.6 70.29 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.193 0.52 . . . . 0.0 111.242 -177.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -94.22 -9.47 36.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.96 1.304 . . . . 0.0 111.908 -172.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 HD23 ' A' ' 22' ' ' LEU . 44.1 mt -98.04 -8.27 28.17 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.175 1.39 . . . . 0.0 111.746 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.56 -53.69 31.88 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 124.317 1.047 . . . . 0.0 109.716 -163.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.5 -32.92 48.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.199 1.8 . . . . 0.0 109.149 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.4 HD23 HD23 ' A' ' 19' ' ' LEU . 37.9 tp -68.7 -51.09 45.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.534 1.934 . . . . 0.0 111.287 -173.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.85 -35.34 80.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 119.528 -0.273 . . . . 0.0 110.63 173.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.94 -48.82 78.69 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.606 0.762 . . . . 0.0 110.309 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.42 -43.26 96.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 124.065 0.946 . . . . 0.0 110.015 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -78.43 -5.81 53.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.075 -1.016 . . . . 0.0 112.147 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -67.67 -30.23 69.71 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.1 0.864 . . . . 0.0 109.9 169.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m -102.39 -6.54 22.9 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.87 0.868 . . . . 0.0 112.433 -171.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.604 ' HE3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -155.7 127.87 7.63 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 119.265 0.939 . . . . 0.0 111.478 -174.541 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -73.07 -6.74 47.64 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -170.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -144.08 166.25 25.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 119.823 1.192 . . . . 0.0 108.86 -167.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.604 HD12 ' HE3' ' A' ' 29' ' ' LYS . 5.5 tp -123.97 104.4 8.89 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -65.01 176.61 1.19 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 126.677 1.991 . . . . 0.0 111.858 175.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.43 -61.06 2.87 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.102 0.961 . . . . 0.0 109.083 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 t -44.95 -48.95 11.38 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.452 1.901 . . . . 0.0 111.189 169.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.19 -44.35 76.08 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.578 1.151 . . . . 0.0 110.009 -171.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -48.11 72.71 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.683 173.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -69.29 -23.24 63.8 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.234 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -67.49 -63.31 1.08 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 120.609 1.549 . . . . 0.0 107.553 -171.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.479 HG22 HD22 ' A' ' 46' ' ' LEU . 5.0 mp -64.07 -39.68 86.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.32 -21.61 65.4 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 117.474 -1.251 . . . . 0.0 113.396 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -123.35 23.21 9.11 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.988 1.267 . . . . 0.0 110.733 173.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.42 -54.98 3.77 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -114.63 -88.25 0.57 Allowed 'General case' 0 C--N 1.343 0.302 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.521 -160.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.1 13.67 0.38 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.386 1.875 . . . . 0.0 112.496 -170.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.479 HD22 HG22 ' A' ' 40' ' ' ILE . 6.7 mp -80.44 -175.71 5.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.765 1.626 . . . . 0.0 110.803 -170.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.4 t -129.75 134.66 47.74 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 169.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -48.74 -45.94 40.31 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.336 1.854 . . . . 0.0 111.614 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.7 t -63.68 -28.37 44.84 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 123.833 0.853 . . . . 0.0 110.824 -173.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.21 -39.91 28.17 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.619 1.099 . . . . 0.0 111.086 176.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.87 -38.34 78.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -2.78 2.21 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' HA ' ' CG ' ' A' ' 56' ' ' GLN . 4.5 mt -119.51 -21.88 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 119.788 1.176 . . . . 0.0 110.323 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.19 -26.17 64.58 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.713 -1.242 . . . . 0.0 112.464 -175.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -78.33 -47.99 16.56 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.359 -0.838 . . . . 0.0 111.761 170.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.462 ' CG ' ' HA ' ' A' ' 53' ' ' ILE . 1.8 pt20 -71.04 -35.01 71.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 120.608 -1.307 . . . . 0.0 111.748 -171.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -72.54 -15.48 61.77 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 117.621 -1.18 . . . . 0.0 113.118 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 . . . . . 0 C--N 1.346 0.416 0 CA-C-N 120.082 1.31 . . . . 0.0 112.147 -176.056 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.461 0.095 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.98 12.15 1.92 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -117.2 -173.53 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.543 1.137 . . . . 0.0 110.328 -172.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.3 p -132.6 167.16 20.55 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.541 2.336 . . . . 0.0 107.008 -174.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -66.9 -36.96 83.46 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.656 1.116 . . . . 0.0 110.588 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.48 -45.08 92.67 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.101 1.76 . . . . 0.0 111.06 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.78 -21.56 62.48 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 120.744 -1.223 . . . . 0.0 112.789 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -83.42 -9.92 58.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.974 1.31 . . . . 0.0 111.306 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -54.6 6.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 120.892 1.678 . . . . 0.0 108.308 -162.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -57.88 -38.61 76.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.494 1.518 . . . . 0.0 109.518 172.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -50.74 72.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.457 1.503 . . . . 0.0 110.283 -176.249 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -76.36 -27.65 56.5 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 122.707 0.403 . . . . 0.0 112.079 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -59.79 -31.76 70.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.055 0.942 . . . . 0.0 111.606 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -8.36 56.07 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -89.36 -0.81 57.76 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.629 -1.294 . . . . 0.0 111.678 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -87.0 -47.36 9.01 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.296 0.953 . . . . 0.0 111.167 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 91.7 m -101.61 -8.01 22.21 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -164.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.54 108.96 2.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 125.655 1.582 . . . . 0.0 108.881 -176.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -76.39 35.72 0.15 Allowed 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.549 -0.72 . . . . 0.0 111.885 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -164.54 103.33 0.82 Allowed 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 120.368 -1.457 . . . . 0.0 108.187 -176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.9 mt -70.29 117.86 12.38 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 163.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -131.89 -172.24 2.82 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 131.01 3.724 . . . . 0.0 106.331 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 34' ' ' LEU . 1.7 tm? 49.84 38.09 15.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.572 1.149 . . . . 0.0 112.404 164.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t 48.96 21.88 0.51 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.08 1.352 . . . . 0.0 113.47 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.73 -31.49 71.66 Favored 'General case' 0 CA--C 1.516 -0.358 0 O-C-N 119.758 -1.839 . . . . 0.0 109.091 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -57.65 -34.58 69.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.891 175.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 m -87.93 -6.17 58.18 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 124.851 1.261 . . . . 0.0 110.536 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.65 -51.88 44.75 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 172.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.552 HG23 HD12 ' A' ' 44' ' ' LEU . 3.5 mp -54.15 -42.3 55.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 119.033 0.833 . . . . 0.0 109.734 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.01 -30.02 65.75 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.023 0.929 . . . . 0.0 113.329 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -100.46 -34.94 9.73 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.693 1.133 . . . . 0.0 111.188 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.37 25.53 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -161.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.552 HD12 HG23 ' A' ' 40' ' ' ILE . 11.8 mt -99.69 -88.34 0.34 Allowed 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.81 -169.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -159.46 4.72 0.09 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.378 1.871 . . . . 0.0 112.527 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 46' ' ' LEU . 5.8 mp -94.93 -174.48 3.27 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -163.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -138.64 146.27 41.48 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 174.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -61.86 -34.52 76.15 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 123.573 0.749 . . . . 0.0 111.294 -175.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.6 t -54.94 -45.49 76.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 C-N-CA 124.213 1.005 . . . . 0.0 110.329 172.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -40.89 63.5 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 117.962 0.346 . . . . 0.0 110.115 -175.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.43 -33.71 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.855 0.862 . . . . 0.0 110.276 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -44.65 -45.18 9.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.63 1.572 . . . . 0.0 113.792 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -85.3 -22.12 7.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 O-C-N 121.353 -0.842 . . . . 0.0 110.209 -166.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -58.05 -36.25 72.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.212 -0.93 . . . . 0.0 109.689 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -73.1 -36.14 66.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.311 -0.852 . . . . 0.0 112.101 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -54.16 -39.83 66.91 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 120.213 1.37 . . . . 0.0 110.623 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -67.6 0.29 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.299 1.04 . . . . 0.0 109.277 170.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.0 mmt-85 . . . . . 0 CA--C 1.539 0.545 0 C-N-CA 125.955 1.702 . . . . 0.0 113.773 -179.377 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.29 39.86 1.11 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.416 1.486 . . . . 0.0 110.983 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -125.98 -165.29 1.41 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.379 1.472 . . . . 0.0 108.899 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.85 162.68 37.16 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 127.321 2.249 . . . . 0.0 106.281 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -51.72 -33.72 35.74 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 163.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.57 -10.0 53.04 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.359 -0.838 . . . . 0.0 113.115 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -129.44 2.3 5.07 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.483 1.513 . . . . 0.0 112.016 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 mp -95.77 -3.46 45.73 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 126.502 1.921 . . . . 0.0 111.725 170.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -52.84 63.51 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 119.285 0.948 . . . . 0.0 109.283 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.32 -36.9 66.3 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.024 0.93 . . . . 0.0 109.473 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.67 -38.49 70.64 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.898 1.279 . . . . 0.0 110.918 -168.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -80.85 -28.56 36.03 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 118.028 -0.987 . . . . 0.0 111.596 172.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -57.36 -51.34 69.79 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.606 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.07 1.35 0.46 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.958 2.103 . . . . 0.0 114.708 174.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.46 16.47 15.62 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.068 1.347 . . . . 0.0 111.261 173.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -98.85 -41.89 7.42 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.36 0.664 . . . . 0.0 111.66 175.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.3 m -76.49 -26.68 55.56 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.6 1.16 . . . . 0.0 112.593 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.56 171.37 18.24 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.256 1.022 . . . . 0.0 109.3 -164.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -121.54 3.77 10.17 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -163.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -152.57 98.89 2.41 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.774 1.23 . . . . 0.0 107.681 -164.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.05 126.11 28.73 Favored 'General case' 0 C--O 1.238 0.466 0 O-C-N 120.303 -1.498 . . . . 0.0 108.12 174.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.58 -177.34 4.77 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.104 0.962 . . . . 0.0 111.755 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.09 -55.59 33.02 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 126.598 1.959 . . . . 0.0 111.872 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 m -74.77 -38.93 62.04 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.63 -41.65 97.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.917 1.287 . . . . 0.0 109.075 -167.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -71.63 -19.91 62.05 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -80.11 -20.18 45.62 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.267 -0.873 . . . . 0.0 108.834 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -70.09 -43.75 70.45 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 119.03 -1.068 . . . . 0.0 110.387 -163.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.25 -34.87 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.93 -9.7 58.31 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.621 -0.704 . . . . 0.0 112.774 176.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -104.88 -5.32 21.21 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.758 1.223 . . . . 0.0 111.552 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.81 -56.22 2.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.739 1.216 . . . . 0.0 109.095 -171.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -96.93 -89.4 0.27 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 118.496 -1.281 . . . . 0.0 109.172 -162.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.65 15.46 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 131.107 3.763 . . . . 0.0 111.285 -174.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.6 174.76 9.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.029 1.332 . . . . 0.0 109.648 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.3 t -135.83 132.87 37.2 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.473 1.509 . . . . 0.0 110.166 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -57.21 -34.59 68.69 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.114 1.325 . . . . 0.0 114.103 -174.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -54.43 -36.31 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 119.238 0.926 . . . . 0.0 112.393 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -38.51 28.12 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.462 0.573 . . . . 0.0 111.889 173.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.5 t -57.13 -45.57 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -53.67 -21.94 7.92 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.8 mt -97.97 -21.51 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 119.757 1.162 . . . . 0.0 110.554 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -57.06 -32.63 66.42 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 120.721 -1.237 . . . . 0.0 110.129 173.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -63.07 -47.83 81.27 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.516 0.726 . . . . 0.0 110.737 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -31.74 62.65 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 118.667 0.667 . . . . 0.0 111.785 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.05 -54.68 30.39 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.465 0.319 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.34 153.13 96.01 Favored Pre-proline 0 CA--C 1.535 0.393 0 O-C-N 121.334 -0.854 . . . . 0.0 110.568 -174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -81.05 -3.74 12.36 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.326 2.018 . . . . 0.0 112.652 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.9 -116.0 8.67 Favored Glycine 0 CA--C 1.527 0.822 0 O-C-N 120.665 -1.272 . . . . 0.0 112.11 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 81.02 89.79 0.56 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 108.773 -1.731 . . . . 0.0 108.773 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -80.66 74.51 7.58 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.88 0.872 . . . . 0.0 111.438 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.81 112.35 6.17 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 155.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.54 104.66 1.62 Allowed 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.334 -0.854 . . . . 0.0 109.663 175.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -73.61 119.51 17.94 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -76.42 101.84 5.73 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.88 1.218 . . . . 0.0 108.08 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -118.51 11.79 13.03 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.306 1.443 . . . . 0.0 112.555 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -150.07 167.3 27.19 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 120.024 1.283 . . . . 0.0 112.298 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.88 30.78 7.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.455 2.702 . . . . 0.0 111.087 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -93.03 167.47 11.77 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 167.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.08 162.47 23.45 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 129.282 3.033 . . . . 0.0 106.899 -172.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 p -57.23 -25.47 59.16 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.261 0.482 . . . . 0.0 111.142 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -79.44 -42.75 24.7 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.833 0.825 . . . . 0.0 108.869 -166.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -76.98 -26.29 53.75 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.62 1.968 . . . . 0.0 110.852 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -15.86 61.18 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 117.232 -1.366 . . . . 0.0 112.411 177.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.68 -52.51 64.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -167.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.16 -37.67 86.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.706 2.402 . . . . 0.0 110.977 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.451 HD22 ' CZ3' ' A' ' 54' ' ' TRP . 0.5 OUTLIER -66.76 -26.43 66.97 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 128.411 2.685 . . . . 0.0 111.827 -177.67 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -96.35 -34.78 11.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 125.549 1.539 . . . . 0.0 110.297 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -55.79 -35.55 66.41 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 125.767 1.627 . . . . 0.0 110.536 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.85 -26.98 66.27 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.823 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.57 -20.73 65.89 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.521 1.51 . . . . 0.0 112.311 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -84.85 -19.29 32.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 118.538 -0.744 . . . . 0.0 110.767 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -81.67 -48.55 11.55 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.38 0.991 . . . . 0.0 109.883 172.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.63 158.63 41.42 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.769 1.228 . . . . 0.0 109.232 -166.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 4.47 49.24 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.645 1.111 . . . . 0.0 112.231 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -153.43 147.62 25.73 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 119.662 -1.899 . . . . 0.0 108.775 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.722 HD13 ' HD2' ' A' ' 37' ' ' ARG . 7.1 mt -130.09 98.11 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -172.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.86 171.74 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.832 1.653 . . . . 0.0 111.015 173.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.28 -46.09 91.04 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.923 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 m -61.44 -34.15 74.92 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.55 1.14 . . . . 0.0 111.665 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -79.49 -43.96 22.18 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -174.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.722 ' HD2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.19 -35.26 74.98 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 120.775 -1.203 . . . . 0.0 110.647 178.669 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.3 p -74.57 -10.45 59.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 117.348 -1.31 . . . . 0.0 111.992 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -67.78 -70.16 0.27 Allowed 'General case' 0 C--N 1.345 0.372 0 CA-C-N 120.458 1.481 . . . . 0.0 109.013 174.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mt -54.15 -42.43 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 119.887 1.222 . . . . 0.0 111.271 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.06 -36.29 67.9 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.863 0.756 . . . . 0.0 111.541 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -94.9 -3.51 48.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.44 1.896 . . . . 0.0 111.214 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.45 -27.8 27.27 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 120.216 -1.553 . . . . 0.0 109.038 -173.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.37 -88.45 0.62 Allowed 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.004 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.96 10.92 0.14 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.965 1.706 . . . . 0.0 111.497 -172.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -85.78 175.0 8.94 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.52 -1.363 . . . . 0.0 110.517 -162.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.61 116.43 26.6 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.586 1.555 . . . . 0.0 107.638 -173.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -56.56 -24.19 45.46 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.099 0.863 . . . . 0.0 112.259 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.0 t -57.67 -53.83 39.43 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 O-C-N 121.178 -0.951 . . . . 0.0 109.466 170.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.43 78.56 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.866 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.443 HG11 ' NE ' ' A' ' 37' ' ' ARG . 85.5 t -54.16 -38.71 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 119.014 0.825 . . . . 0.0 109.886 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -49.88 -49.93 47.66 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.607 1.163 . . . . 0.0 111.166 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.26 -21.75 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 124.275 1.03 . . . . 0.0 110.796 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CZ3' HD22 ' A' ' 22' ' ' LEU . 17.4 t90 -58.4 -38.89 78.3 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.51 -1.368 . . . . 0.0 109.186 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -64.36 -21.33 66.59 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -12.06 41.97 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 120.205 1.366 . . . . 0.0 111.342 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -91.86 -17.89 24.61 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.418 1.087 . . . . 0.0 112.478 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.72 13.82 0.45 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -167.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -116.67 -15.03 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.291 1.037 . . . . 0.0 112.466 176.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.11 92.57 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.583 0.628 . . . . 0.0 110.419 -170.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -44.67 -63.75 0.84 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.378 1.871 . . . . 0.0 112.099 -169.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -72.02 -27.01 62.44 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 117.796 -1.097 . . . . 0.0 111.669 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -72.27 -21.73 61.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 120.604 1.547 . . . . 0.0 112.69 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.64 -47.98 72.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.163 0.985 . . . . 0.0 110.609 166.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.8 mt -82.49 -57.7 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 124.422 1.089 . . . . 0.0 108.436 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.74 48.48 0.47 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.636 2.374 . . . . 0.0 109.856 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.42 102.76 4.54 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 105.492 -2.04 . . . . 0.0 105.492 167.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.89 175.85 41.42 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -169.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -133.28 -174.89 3.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.135 0.974 . . . . 0.0 110.409 -167.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.2 t -125.94 149.43 30.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 126.169 1.787 . . . . 0.0 107.852 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.243 0.716 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 163.089 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 119.024 -0.512 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.24 85.97 1.49 Allowed Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 126.683 1.993 . . . . 0.0 110.706 -163.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -67.73 -21.42 45.02 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.873 2.382 . . . . 0.0 115.082 -165.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.95 -165.42 48.67 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -165.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.02 90.22 0.5 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 169.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -126.4 93.62 3.85 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 118.536 1.168 . . . . 0.0 109.566 175.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.33 159.42 26.8 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 126.587 1.955 . . . . 0.0 110.858 169.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -88.26 125.79 34.83 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 123.493 0.717 . . . . 0.0 109.34 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -103.37 157.9 16.71 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 123.72 0.808 . . . . 0.0 110.041 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -119.53 85.37 2.36 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.106 1.762 . . . . 0.0 107.986 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -77.04 51.98 0.85 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.406 ' HA ' HE22 ' A' ' 50' ' ' GLN . 5.5 m -123.43 144.28 49.6 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.617 0.767 . . . . 0.0 110.065 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.58 101.24 2.93 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.499 1.919 . . . . 0.0 106.541 166.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -129.24 -164.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 126.841 2.056 . . . . 0.0 108.005 169.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.3 p -140.47 157.49 45.43 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.957 2.103 . . . . 0.0 106.083 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -29.43 68.6 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.578 1.536 . . . . 0.0 111.792 174.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -23.62 51.15 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.301 1.84 . . . . 0.0 112.465 172.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -117.65 0.25 12.01 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.968 1.707 . . . . 0.0 111.279 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.8 mt -101.08 -4.13 27.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.892 1.277 . . . . 0.0 110.545 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.54 -59.66 2.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 122.517 1.151 . . . . 0.0 109.521 -163.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -69.53 -37.22 77.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 126.911 2.084 . . . . 0.0 109.478 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.1 -36.86 84.99 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 126.211 1.805 . . . . 0.0 110.749 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -82.14 -30.1 31.28 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.435 172.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -57.05 -43.83 82.37 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -33.94 70.32 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.316 1.847 . . . . 0.0 112.908 176.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.17 4.67 33.42 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 118.692 0.678 . . . . 0.0 112.757 -171.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -105.97 -58.64 1.88 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.821 0.848 . . . . 0.0 109.885 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.6 m -67.69 -20.3 65.27 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.094 1.357 . . . . 0.0 112.927 -174.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.34 125.27 9.87 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -170.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.93 8.13 33.83 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.613 0.765 . . . . 0.0 112.694 -161.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -149.48 141.21 23.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 tp -101.31 108.28 19.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m -79.32 176.22 9.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -42.28 89.02 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.588 -0.695 . . . . 0.0 112.013 -167.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 t -64.65 -41.59 96.02 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.609 0.64 . . . . 0.0 110.137 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -70.74 -42.17 70.87 Favored 'General case' 0 CA--C 1.521 -0.167 0 O-C-N 121.114 -0.991 . . . . 0.0 109.257 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.87 -32.04 73.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 122.126 -0.359 . . . . 0.0 111.319 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -80.23 -18.41 49.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.301 -1.333 . . . . 0.0 112.577 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.34 -59.7 4.93 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.015 1.279 . . . . 0.0 109.91 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mp -50.92 -37.06 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 C-N-CA 123.301 0.64 . . . . 0.0 111.787 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.18 -22.21 62.66 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.652 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -131.62 -7.15 3.66 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.806 1.185 . . . . 0.0 113.819 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.03 -32.01 27.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 mt -110.29 -89.15 0.49 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.837 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.35 1.79 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.387 1.875 . . . . 0.0 113.606 -165.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.72 -173.39 4.62 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -169.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 t -144.43 152.34 40.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.025 -1.047 . . . . 0.0 108.86 173.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.78 -36.85 84.46 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -161.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.12 -42.83 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 120.381 1.446 . . . . 0.0 109.276 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.406 HE22 ' HA ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -57.29 -40.68 78.31 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.027 0.531 . . . . 0.0 110.18 178.532 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -69.22 -48.32 69.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 126.196 1.798 . . . . 0.0 108.47 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -46.22 -42.91 14.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.431 1.492 . . . . 0.0 112.973 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 mt -79.84 -21.55 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.587 -0.696 . . . . 0.0 111.474 -176.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -62.6 -30.33 71.26 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 120.164 -1.585 . . . . 0.0 110.097 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -62.07 -35.14 77.75 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.587 0.755 . . . . 0.0 112.201 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -37.43 74.1 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.74 1.216 . . . . 0.0 110.173 174.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -78.48 -46.59 19.31 Favored 'General case' 0 C--O 1.23 0.056 0 O-C-N 121.721 -0.612 . . . . 0.0 110.16 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.01 8.0 0.24 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -175.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -112.8 9.26 19.03 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.544 1.52 . . . . 0.0 113.216 172.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.11 -24.75 15.6 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.278 0.945 . . . . 0.0 113.529 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -44.8 -52.62 8.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.595 1.558 . . . . 0.0 112.83 -170.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -64.15 -57.91 8.17 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -52.79 -40.72 63.48 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 125.061 1.345 . . . . 0.0 112.505 -175.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -17.15 57.52 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 39.2 mt -100.24 -52.59 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 169.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -72.3 42.15 0.09 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 128.032 2.533 . . . . 0.0 111.808 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.25 124.09 31.65 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 126.673 1.989 . . . . 0.0 107.654 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.55 67.29 0.96 Allowed Glycine 0 CA--C 1.518 0.26 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -148.81 162.53 39.61 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 108.863 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.57 145.27 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 159.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 t . . . . . 0 C--O 1.246 0.896 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.078 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.62 165.18 15.78 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.656 1.182 . . . . 0.0 111.164 173.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.9 162.41 19.01 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 123.028 2.485 . . . . 0.0 113.224 177.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.61 -55.69 2.94 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 126.513 2.006 . . . . 0.0 114.146 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.15 -118.27 3.37 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 119.098 1.449 . . . . 0.0 109.718 -171.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.58 97.39 4.52 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.452 1.126 . . . . 0.0 111.082 -159.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 m -87.31 161.49 17.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.301 0.572 . . . . 0.0 110.968 170.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -53.88 109.03 0.41 Allowed 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.497 1.519 . . . . 0.0 109.712 160.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -117.46 100.66 7.8 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -59.06 111.37 1.29 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 164.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -111.73 6.24 19.66 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 125.659 1.584 . . . . 0.0 110.581 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.52 157.58 44.95 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.42 14.58 20.34 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 124.487 1.115 . . . . 0.0 111.912 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -84.45 175.41 9.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.677 0.751 . . . . 0.0 109.094 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.503 ' H ' ' HB2' ' A' ' 18' ' ' GLN . 60.4 p -136.7 168.57 19.26 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.818 2.047 . . . . 0.0 108.398 -171.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -40.2 63.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.909 0.883 . . . . 0.0 111.345 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.45 -37.67 68.49 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.826 0.739 . . . . 0.0 111.13 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.503 ' HB2' ' H ' ' A' ' 15' ' ' THR . 38.6 mt-30 -70.6 0.69 6.35 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.334 -0.854 . . . . 0.0 112.535 -176.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD23 HD23 ' A' ' 22' ' ' LEU . 24.0 mt -113.56 0.06 14.53 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.896 1.678 . . . . 0.0 111.99 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.69 -27.24 63.85 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.592 1.157 . . . . 0.0 112.706 -168.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -106.43 -26.2 11.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.604 1.562 . . . . 0.0 109.693 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 HD23 ' A' ' 19' ' ' LEU . 23.0 tp -69.27 -55.37 10.71 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 126.553 1.941 . . . . 0.0 108.511 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.95 -37.04 85.48 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.715 0.689 . . . . 0.0 111.017 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.18 -58.24 9.06 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 125.673 1.589 . . . . 0.0 110.541 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.67 -42.25 99.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.0 -10.96 44.44 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -175.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.06 -49.11 75.84 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.238 0.926 . . . . 0.0 110.2 169.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.9 m -73.98 -24.17 59.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.566 1.147 . . . . 0.0 112.029 -174.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 117.33 6.96 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 124.303 1.041 . . . . 0.0 110.086 -166.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -71.15 3.62 3.39 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -155.11 171.74 19.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 120.468 1.485 . . . . 0.0 108.51 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -113.09 112.97 24.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.012 1.725 . . . . 0.0 108.543 -174.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 m -72.19 40.96 0.08 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.506 1.922 . . . . 0.0 113.27 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.28 -67.02 0.18 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 127.856 2.462 . . . . 0.0 114.564 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -55.61 -32.66 63.31 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.161 1.346 . . . . 0.0 109.932 171.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -62.34 -27.21 68.9 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.349 1.459 . . . . 0.0 110.176 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -68.46 -40.61 81.0 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.8 -0.563 . . . . 0.0 111.672 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -20.29 65.98 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.36 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -63.08 -61.13 2.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 118.685 0.675 . . . . 0.0 109.923 -171.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 44' ' ' LEU . 3.9 mp -63.36 -40.22 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.62 -16.71 63.98 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -108.95 -7.07 15.47 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.414 1.085 . . . . 0.0 112.102 172.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.06 -37.24 12.27 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 121.182 1.81 . . . . 0.0 110.313 -171.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.408 HD12 HG23 ' A' ' 40' ' ' ILE . 60.3 mt -108.02 -85.72 0.52 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -163.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 174.94 28.89 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.317 3.047 . . . . 0.0 110.818 -173.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -94.68 -179.05 4.74 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.7 m -127.46 134.43 49.84 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 124.658 1.183 . . . . 0.0 108.802 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -50.18 -48.24 54.2 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.427 1.091 . . . . 0.0 112.073 -172.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.68 -40.72 83.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 123.661 0.784 . . . . 0.0 110.574 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -40.36 91.72 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.77 -0.581 . . . . 0.0 110.261 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.4 t -63.88 -38.96 83.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -57.21 -7.6 0.57 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.598 1.959 . . . . 0.0 113.307 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.0 mt -116.81 -29.72 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 119.407 1.003 . . . . 0.0 110.939 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -55.38 -43.34 75.07 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 120.015 1.279 . . . . 0.0 110.118 -174.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -81.47 -28.64 34.03 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 121.578 -0.049 . . . . 0.0 111.016 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.6 -38.38 71.96 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.125 1.37 . . . . 0.0 110.221 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -69.25 -4.73 19.0 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.864 1.265 . . . . 0.0 112.909 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -114.18 0.62 14.29 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.889 1.676 . . . . 0.0 109.881 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -90.51 -54.27 4.07 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.022 1.283 . . . . 0.0 110.097 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.58 -5.13 46.4 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.361 -0.352 . . . . 0.0 111.73 -172.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -44.52 -61.22 1.62 Allowed 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 126.3 1.84 . . . . 0.0 111.316 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -69.84 -41.68 74.61 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.639 1.108 . . . . 0.0 110.156 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -46.97 -56.48 6.33 Favored 'General case' 0 C--O 1.226 -0.137 0 C-N-CA 125.604 1.561 . . . . 0.0 110.792 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -27.43 68.44 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -172.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.2 mt -89.85 -17.33 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 125.544 1.538 . . . . 0.0 109.851 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -111.63 32.55 5.33 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.597 1.959 . . . . 0.0 110.57 -174.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.42 109.06 13.91 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.288 2.235 . . . . 0.0 107.413 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.71 -140.49 6.46 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 106.61 -2.596 . . . . 0.0 106.61 -169.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -125.97 177.14 6.51 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.917 1.358 . . . . 0.0 108.809 160.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.24 178.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 127.541 2.336 . . . . 0.0 109.153 169.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.587 -1.197 . . . . 0.0 107.971 153.168 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.473 0.705 0 CA-C-O 119.307 -0.378 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.46 66.88 2.21 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 125.179 1.391 . . . . 0.0 109.33 164.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.22 139.35 77.35 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.455 2.104 . . . . 0.0 111.678 -170.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.69 93.27 0.55 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.11 -55.55 0.03 OUTLIER Glycine 0 CA--C 1.524 0.619 0 C-N-CA 125.239 1.4 . . . . 0.0 110.191 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -79.32 153.81 29.56 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.028 0.914 . . . . 0.0 110.149 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.1 t -87.01 118.95 26.73 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 124.761 1.225 . . . . 0.0 108.037 172.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 173.26 10.94 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.501 -0.749 . . . . 0.0 109.905 169.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -112.48 124.51 52.67 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 140.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -78.0 91.56 4.25 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 174.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -136.84 6.67 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.804 1.242 . . . . 0.0 110.885 -171.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 m -129.9 130.11 44.74 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 119.613 1.097 . . . . 0.0 108.95 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.2 57.81 3.52 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.501 1.12 . . . . 0.0 109.128 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -131.66 160.33 35.71 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.635 0.774 . . . . 0.0 109.674 165.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.0 p -107.94 165.3 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.363 1.465 . . . . 0.0 110.046 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.48 -16.41 63.88 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -85.47 -43.79 13.28 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.698 1.199 . . . . 0.0 110.263 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -66.08 -29.63 70.0 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.811 -0.555 . . . . 0.0 111.374 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 mt -78.69 -17.13 56.4 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.831 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.46 -46.42 76.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 119.023 0.828 . . . . 0.0 109.408 -165.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -66.41 -42.9 87.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.792 2.037 . . . . 0.0 110.555 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.32 -44.94 92.52 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.579 1.151 . . . . 0.0 110.569 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -73.96 -33.17 63.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.484 0.713 . . . . 0.0 111.813 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -64.92 -61.11 2.37 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 124.794 1.238 . . . . 0.0 109.006 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.13 -14.67 26.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 117.474 -1.25 . . . . 0.0 111.903 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -21.06 65.94 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 122.262 2.301 . . . . 0.0 112.278 171.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -66.58 -36.05 81.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.266 1.026 . . . . 0.0 110.738 169.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.8 -32.77 25.16 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.534 0.733 . . . . 0.0 111.738 -173.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.532 ' HE3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -166.1 155.52 11.78 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.099 1.36 . . . . 0.0 109.139 -161.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 6.16 11.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -159.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.445 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 8.8 p90 -132.94 -163.86 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 127.284 2.234 . . . . 0.0 106.916 -174.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD12 ' HE3' ' A' ' 29' ' ' LYS . 1.7 tp -153.8 94.78 1.8 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 105.715 -1.958 . . . . 0.0 105.715 163.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -156.16 178.87 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 125.017 1.327 . . . . 0.0 109.994 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mp 58.39 -86.29 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 129.374 3.07 . . . . 0.0 111.402 -175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -97.2 -15.11 21.03 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.958 0.799 . . . . 0.0 109.279 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -97.67 -35.94 10.42 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 118.41 -0.805 . . . . 0.0 113.076 -155.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -58.66 -48.51 80.81 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 p -74.89 3.27 8.49 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.391 1.077 . . . . 0.0 112.784 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -78.23 -84.43 0.08 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 164.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mp -59.59 -38.04 73.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 118.66 0.663 . . . . 0.0 109.943 -171.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.86 -24.32 66.84 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 117.578 -1.201 . . . . 0.0 112.252 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -113.31 10.79 18.49 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.866 1.212 . . . . 0.0 110.796 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.87 -46.61 6.17 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 119.262 0.937 . . . . 0.0 108.957 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -117.96 -88.93 0.6 Allowed 'General case' 0 C--N 1.344 0.362 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.532 -166.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.497 ' H ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -158.45 39.43 0.24 Allowed 'General case' 0 C--O 1.239 0.537 0 C-N-CA 126.124 1.769 . . . . 0.0 110.717 -172.326 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 45' ' ' LYS . 6.2 mp -106.47 177.01 4.98 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.257 1.023 . . . . 0.0 109.017 -177.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -142.22 133.08 25.71 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.247 1.419 . . . . 0.0 107.243 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -52.42 -36.35 54.15 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.788 0.835 . . . . 0.0 112.4 -173.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.97 -48.44 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.309 0.643 . . . . 0.0 110.076 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -39.56 91.69 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.615 0.643 . . . . 0.0 110.332 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.32 -33.07 58.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.077 1.351 . . . . 0.0 109.709 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -56.88 -44.1 81.94 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.093 -1.004 . . . . 0.0 110.953 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.4 mp -73.63 -22.36 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 118.38 0.536 . . . . 0.0 110.298 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -63.9 -34.22 77.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.322 -1.486 . . . . 0.0 110.074 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -60.71 -47.55 85.76 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.059 172.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -45.28 61.42 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.965 1.706 . . . . 0.0 109.992 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -63.53 -37.46 87.39 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.265 -0.897 . . . . 0.0 110.628 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -78.51 20.78 0.41 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.914 0.885 . . . . 0.0 112.981 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -114.48 -49.43 2.83 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.429 1.468 . . . . 0.0 111.443 170.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.47 -5.22 59.31 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.274 1.03 . . . . 0.0 111.976 -167.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -52.48 -62.13 1.83 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.152 0.981 . . . . 0.0 110.599 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -68.68 -39.24 80.68 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.224 0.466 . . . . 0.0 111.131 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -34.97 73.57 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 117.416 -1.278 . . . . 0.0 111.805 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -60.95 -8.86 3.48 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 121.195 1.816 . . . . 0.0 114.835 173.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.7 mt -107.34 -41.79 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.575 1.55 . . . . 0.0 108.364 171.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -78.59 -13.28 59.91 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.848 1.659 . . . . 0.0 113.411 -173.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.52 85.43 2.26 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 120.792 1.633 . . . . 0.0 109.583 -167.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.77 174.56 28.53 Favored Glycine 0 CA--C 1.525 0.713 0 O-C-N 123.983 0.802 . . . . 0.0 111.671 170.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -158.4 162.7 37.63 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 126.148 1.779 . . . . 0.0 108.348 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.47 121.1 8.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 161.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.243 0.729 0 C-N-CA 124.753 1.221 . . . . 0.0 109.391 -177.913 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.51 148.79 85.63 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.202 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -69.82 -18.33 36.79 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.877 2.384 . . . . 0.0 112.085 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.13 -79.1 0.21 Allowed Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 108.269 -1.932 . . . . 0.0 108.269 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.42 37.52 74.9 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.921 0.772 . . . . 0.0 113.834 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -136.19 150.95 49.24 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.988 1.315 . . . . 0.0 109.68 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.9 p -66.17 100.14 0.58 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.995 1.318 . . . . 0.0 107.822 167.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.75 177.3 9.21 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.507 1.123 . . . . 0.0 110.709 -170.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -128.06 110.47 12.52 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.07 1.348 . . . . 0.0 108.54 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -68.58 88.36 0.34 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 167.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -134.21 20.7 3.72 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.418 1.487 . . . . 0.0 110.41 168.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.0 m -132.63 150.96 52.08 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 124.718 1.207 . . . . 0.0 108.431 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.16 55.91 0.67 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.146 1.378 . . . . 0.0 110.121 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -126.67 175.05 8.25 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.562 1.545 . . . . 0.0 108.506 167.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.3 p -111.28 172.44 6.88 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.966 1.306 . . . . 0.0 109.578 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -34.12 67.79 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.866 -1.146 . . . . 0.0 111.823 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.45 -47.46 73.07 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.351 1.06 . . . . 0.0 110.606 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.428 ' HA ' HD13 ' A' ' 44' ' ' LEU . 33.3 mt-30 -58.51 -33.1 69.47 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.121 0.486 . . . . 0.0 110.454 -178.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mp -71.08 19.92 0.05 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.784 2.033 . . . . 0.0 113.131 172.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.31 -61.47 1.93 Allowed 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 120.284 1.402 . . . . 0.0 108.804 162.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.35 -37.81 80.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 122.244 1.021 . . . . 0.0 109.072 -171.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.64 -25.17 67.24 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.925 1.29 . . . . 0.0 111.552 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -89.94 -30.35 17.89 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.053 0.941 . . . . 0.0 111.744 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -62.74 -53.32 56.23 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.0 0.63 3.34 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.328 1.451 . . . . 0.0 113.308 -177.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.96 -2.6 13.52 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.07 1.348 . . . . 0.0 112.634 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -98.07 -49.66 4.67 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.917 0.887 . . . . 0.0 109.759 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.3 m -71.38 -21.31 62.03 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.48 0.657 . . . . 0.0 110.257 -172.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.42 162.98 40.72 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 126.549 1.94 . . . . 0.0 108.76 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.41 13.94 13.65 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.125 0.57 . . . . 0.0 111.822 -176.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -153.41 112.41 3.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.792 -1.193 . . . . 0.0 108.016 -172.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -79.96 103.65 10.0 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 121.219 -0.925 . . . . 0.0 108.566 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.4 m -76.94 91.88 3.63 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.564 0.746 . . . . 0.0 109.379 172.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 44.64 -76.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 129.566 3.146 . . . . 0.0 115.985 170.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -50.26 -39.14 44.14 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.73 1.15 . . . . 0.0 110.617 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.06 -26.18 67.38 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.142 -0.973 . . . . 0.0 108.833 -175.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -72.43 -56.79 4.86 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.768 -1.207 . . . . 0.0 109.468 172.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.7 m -62.07 -18.48 60.82 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -65.01 -68.44 0.36 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.715 1.606 . . . . 0.0 109.36 -171.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mp -61.17 -30.71 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.78 -1.81 4.31 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.135 1.374 . . . . 0.0 114.485 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -129.63 -10.41 4.5 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 120.745 1.612 . . . . 0.0 112.559 163.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.47 -31.65 42.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -172.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 18' ' ' GLN . 12.5 mt -109.11 -88.37 0.49 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 117.909 -1.043 . . . . 0.0 113.063 -168.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.78 41.29 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 1 C-N-CA 133.573 4.749 . . . . 0.0 107.976 -170.51 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.414 ' CD1' HE21 ' A' ' 18' ' ' GLN . 6.2 mp -119.26 166.99 12.3 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 119.766 -1.834 . . . . 0.0 109.07 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -133.42 140.33 47.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -54.31 -40.32 67.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.509 1.123 . . . . 0.0 111.498 -175.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 p -54.94 -39.63 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 C-N-CA 124.616 1.166 . . . . 0.0 111.851 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -38.39 40.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.469 0.577 . . . . 0.0 109.995 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.62 -39.16 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 123.828 0.851 . . . . 0.0 110.784 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -59.17 -26.61 64.93 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.74 1.154 . . . . 0.0 112.344 -177.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.7 mt -85.05 -21.62 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.307 1.043 . . . . 0.0 110.289 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -59.32 -39.91 84.6 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 120.492 -1.38 . . . . 0.0 109.233 172.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -66.23 -37.5 85.68 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 119.572 -0.251 . . . . 0.0 110.856 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -40.67 63.91 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.231 1.012 . . . . 0.0 110.225 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -74.33 -52.81 11.14 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.029 0.932 . . . . 0.0 110.566 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -70.26 6.48 1.31 Allowed 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.037 -1.039 . . . . 0.0 113.496 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -102.48 0.26 33.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.153 1.381 . . . . 0.0 112.422 173.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.69 -10.65 24.61 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.192 -0.942 . . . . 0.0 113.157 -166.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -53.07 -48.37 67.75 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 123.542 0.737 . . . . 0.0 112.109 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -71.58 -39.67 70.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.239 0.927 . . . . 0.0 109.942 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -47.86 78.67 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 123.902 0.881 . . . . 0.0 111.501 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -23.61 67.39 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -176.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.3 mt -90.72 -52.51 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -75.55 42.93 0.23 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.549 1.94 . . . . 0.0 109.272 172.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.66 115.45 28.06 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.223 1.809 . . . . 0.0 107.001 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.76 63.95 0.22 Allowed Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -72.66 178.44 4.13 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 117.685 0.743 . . . . 0.0 109.961 164.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.4 p -144.26 170.63 8.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 150.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.165 -1.874 . . . . 0.0 107.299 -177.337 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.9 85.03 50.3 Favored Pre-proline 0 C--O 1.236 0.382 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 173.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.53 159.8 34.8 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 121.765 1.643 . . . . 0.0 109.904 166.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.17 -163.5 32.09 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 124.51 1.052 . . . . 0.0 110.832 -172.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.4 75.33 0.65 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -131.53 126.34 34.65 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 171.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -142.26 136.01 29.38 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.728 0.811 . . . . 0.0 109.503 -174.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 127.89 33.78 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.614 1.566 . . . . 0.0 109.078 176.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.3 147.83 21.19 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.829 2.052 . . . . 0.0 107.655 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -71.19 87.6 0.8 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 119.373 0.988 . . . . 0.0 109.213 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -133.44 34.45 3.49 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.227 0.611 . . . . 0.0 110.788 174.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.0 m -58.61 131.08 49.75 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 121.622 -0.674 . . . . 0.0 111.971 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.73 92.77 3.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.371 1.868 . . . . 0.0 106.539 169.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -124.08 -172.05 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 166.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.51 152.38 41.41 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.533 1.133 . . . . 0.0 109.017 -172.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -54.58 -4.35 0.06 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 128.312 2.645 . . . . 0.0 114.57 166.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -94.61 -24.84 17.03 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 168.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -100.81 -21.66 15.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 125.878 1.671 . . . . 0.0 111.407 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.6 mt -69.91 -16.94 63.3 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 116.727 -1.606 . . . . 0.0 112.669 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.0 -48.51 79.8 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 120.866 1.666 . . . . 0.0 110.598 -173.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -73.02 -29.49 63.05 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.853 1.261 . . . . 0.0 110.113 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.72 -57.16 8.7 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.924 1.29 . . . . 0.0 108.846 175.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -67.98 -23.8 65.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.591 1.556 . . . . 0.0 112.078 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.69 -58.14 7.09 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.77 -40.38 97.11 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.01 -18.4 60.41 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.282 -0.866 . . . . 0.0 113.133 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -73.44 -27.32 61.36 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 120.15 1.341 . . . . 0.0 111.521 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 m -110.94 -19.98 12.6 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.466 1.106 . . . . 0.0 111.05 -166.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HD3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -147.48 136.67 22.39 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 121.457 -0.777 . . . . 0.0 109.077 171.256 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.19 -9.93 59.69 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.764 0.826 . . . . 0.0 111.912 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -146.59 120.81 9.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.506 1.522 . . . . 0.0 108.319 -174.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.477 HD23 ' HD3' ' A' ' 29' ' ' LYS . 65.9 mt -84.35 117.19 23.44 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 126.422 1.889 . . . . 0.0 108.642 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 m -87.37 59.63 5.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.742 0.782 . . . . 0.0 112.458 -170.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tt 72.89 -56.0 0.67 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 128.635 2.774 . . . . 0.0 111.325 173.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -60.88 -40.57 93.53 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 126.177 1.791 . . . . 0.0 111.53 177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -80.62 -27.26 37.35 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.242 1.417 . . . . 0.0 109.1 -171.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -35.65 81.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.567 -0.708 . . . . 0.0 109.736 167.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -85.13 22.1 1.52 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.775 1.23 . . . . 0.0 110.978 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -88.55 -80.29 0.29 Allowed 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 161.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.507 HD12 ' H ' ' A' ' 40' ' ' ILE . 3.7 mp -53.5 -44.91 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.815 0.846 . . . . 0.0 111.185 -167.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.12 -14.39 36.35 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -125.99 16.87 7.92 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.188 0.904 . . . . 0.0 110.98 175.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.0 -38.73 3.02 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.199 1.0 . . . . 0.0 112.035 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.7 mt -111.83 -89.73 0.51 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.475 1.034 . . . . 0.0 111.661 -174.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.96 31.59 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.703 2.401 . . . . 0.0 109.105 -166.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.01 138.19 51.44 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.8 m -86.46 140.69 29.72 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.524 -0.274 . . . . 0.0 111.653 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -44.11 -53.01 6.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.042 2.537 . . . . 0.0 111.532 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.5 -44.92 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 126.137 1.775 . . . . 0.0 110.641 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -45.96 69.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 122.957 0.503 . . . . 0.0 110.169 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.9 t -57.76 -34.65 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 124.039 0.935 . . . . 0.0 109.918 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -53.44 -39.43 64.42 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.019 -1.051 . . . . 0.0 111.041 174.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -79.1 -32.37 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 CA-C-O 116.91 -1.519 . . . . 0.0 111.266 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 24.0 t90 -51.33 -43.99 61.88 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 121.364 1.893 . . . . 0.0 108.899 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -65.98 -14.95 62.52 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -34.97 79.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 122.531 2.423 . . . . 0.0 110.043 169.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -76.6 -33.75 58.42 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.535 -0.728 . . . . 0.0 111.095 -167.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -63.2 0.31 0.65 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -166.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -95.05 -2.36 50.34 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.971 1.308 . . . . 0.0 112.647 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.02 -21.49 27.75 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.897 1.226 . . . . 0.0 113.457 -172.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -46.68 -44.0 18.23 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.926 1.29 . . . . 0.0 113.126 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -78.61 -42.0 30.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.331 0.652 . . . . 0.0 110.461 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -58.13 -32.42 68.12 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.951 173.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -54.86 41.73 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 120.064 1.302 . . . . 0.0 111.54 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 51.1 mt -76.72 -58.17 4.81 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -176.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -79.27 51.26 1.17 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.54 96.27 6.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 167.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.31 57.85 4.51 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-O 118.776 -1.013 . . . . 0.0 110.591 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -152.26 119.65 5.97 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 124.755 1.222 . . . . 0.0 107.928 -174.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.62 169.42 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.016 1.726 . . . . 0.0 112.607 172.078 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.517 -0.3 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.92 56.89 13.22 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.554 1.942 . . . . 0.0 115.559 153.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -71.97 -5.39 17.0 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.76 2.307 . . . . 0.0 113.764 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.04 -178.84 52.11 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -171.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.47 144.09 7.91 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.547 1.07 . . . . 0.0 110.469 -169.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -162.85 131.05 3.85 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.906 1.682 . . . . 0.0 107.662 -169.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.1 p -161.71 176.76 10.6 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.052 0.941 . . . . 0.0 110.756 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.57 155.92 43.89 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.561 1.144 . . . . 0.0 109.169 164.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -90.96 151.85 20.93 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.689 0.396 . . . . 0.0 110.462 170.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -74.44 59.32 0.8 Allowed 'General case' 0 C--O 1.239 0.519 0 C-N-CA 128.304 2.642 . . . . 0.0 110.775 172.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -134.68 48.98 2.26 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 120.612 -1.305 . . . . 0.0 111.041 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.409 HG21 ' CD2' ' A' ' 14' ' ' PHE . 8.8 t -156.64 -170.44 3.33 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.156 0.982 . . . . 0.0 109.432 174.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.16 38.64 1.93 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 127.167 2.187 . . . . 0.0 108.338 169.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.409 ' CD2' HG21 ' A' ' 12' ' ' THR . 26.8 m-85 -68.56 162.16 26.39 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.144 0.497 . . . . 0.0 109.898 168.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 p -96.59 147.71 23.6 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.123 1.769 . . . . 0.0 107.482 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 t -56.78 -37.15 70.71 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 125.21 1.404 . . . . 0.0 110.38 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.41 -41.34 84.76 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.635 1.174 . . . . 0.0 111.51 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HA ' HD13 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -86.3 -13.88 45.34 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.78 -0.575 . . . . 0.0 111.164 -167.076 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -70.85 -17.52 62.73 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.744 1.217 . . . . 0.0 113.059 171.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.88 -48.33 71.89 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 120.323 1.42 . . . . 0.0 110.582 -173.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.55 -37.06 79.61 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.177 1.391 . . . . 0.0 110.757 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.2 -54.14 50.36 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.626 1.17 . . . . 0.0 108.823 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.01 -40.3 94.7 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.249 0.62 . . . . 0.0 111.554 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -51.49 -44.65 62.55 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 124.926 1.291 . . . . 0.0 111.063 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.93 -49.36 25.05 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.815 -0.553 . . . . 0.0 110.751 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -19.28 57.28 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -53.49 -63.06 1.27 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.793 2.037 . . . . 0.0 110.137 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 m -71.87 -63.29 1.16 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 173.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.74 95.43 5.41 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -161.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 11.35 0.08 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.921 1.688 . . . . 0.0 112.818 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -148.63 147.62 29.17 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 124.713 1.205 . . . . 0.0 108.239 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.15 154.97 19.11 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.683 1.193 . . . . 0.0 109.157 175.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.415 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 47.0 t -108.92 84.84 1.99 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.465 1.906 . . . . 0.0 107.143 170.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 43.42 -76.25 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 129.891 3.277 . . . . 0.0 114.941 168.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.2 m -44.65 -40.44 5.86 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.468 1.907 . . . . 0.0 111.375 169.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 33' ' ' SER . 5.9 mm-40 -63.47 -36.95 85.43 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.382 1.073 . . . . 0.0 108.861 -177.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -61.37 -40.23 93.56 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -73.88 -6.03 44.7 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 116.602 -1.666 . . . . 0.0 113.215 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.61 -73.19 0.11 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-N 121.188 1.813 . . . . 0.0 108.601 174.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.33 -43.22 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 118.294 0.497 . . . . 0.0 111.076 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.7 -39.42 73.82 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 117.997 -1.002 . . . . 0.0 111.924 -175.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -98.7 -8.21 26.53 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.646 1.178 . . . . 0.0 111.827 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.02 -49.56 8.2 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 18' ' ' GLN . 17.1 mt -92.92 -86.09 0.25 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.268 -168.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 174.42 14.42 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.687 1.995 . . . . 0.0 112.655 -167.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mp -76.85 -174.25 2.99 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.709 -1.245 . . . . 0.0 109.023 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -123.99 121.97 36.69 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -51.65 -32.78 30.76 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.217 1.807 . . . . 0.0 113.984 -173.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 p -64.5 -50.39 76.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.52 0.6 . . . . 0.0 110.397 175.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -45.48 84.37 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.996 0.903 . . . . 0.0 108.571 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.98 -50.27 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 125.046 1.339 . . . . 0.0 109.594 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 8.3 pttt -62.98 -7.87 6.13 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.07 -31.32 2.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 119.775 1.17 . . . . 0.0 111.314 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -51.74 -44.02 63.11 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.424 0.689 . . . . 0.0 109.396 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CE2' ' HA ' ' A' ' 52' ' ' LYS . 25.4 p90 -80.0 -36.99 35.14 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.217 176.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -50.69 -38.46 47.05 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.529 1.532 . . . . 0.0 112.349 -171.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -56.13 -38.78 71.26 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.85 -0.595 . . . . 0.0 111.872 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -69.2 -13.38 62.37 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.597 1.089 . . . . 0.0 112.685 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -99.68 -32.68 10.94 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 119.877 1.217 . . . . 0.0 110.903 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.11 -7.9 18.8 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -165.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -53.11 -38.59 62.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.619 1.554 . . . . 0.0 113.616 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -74.81 -44.11 51.11 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.189 -0.945 . . . . 0.0 109.485 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -53.15 -40.42 64.28 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.89 0.876 . . . . 0.0 110.578 172.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -64.92 -7.89 13.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 120.444 1.475 . . . . 0.0 114.792 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.3 mt -100.34 -52.88 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 161.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.98 26.68 0.12 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.105 2.162 . . . . 0.0 112.905 -171.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.42 121.33 4.63 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 125.831 1.652 . . . . 0.0 108.009 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.03 175.86 50.33 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.304 0.954 . . . . 0.0 112.254 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -79.12 -175.08 4.41 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.386 1.875 . . . . 0.0 111.033 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.5 150.0 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 126.875 2.07 . . . . 0.0 106.42 164.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-N 119.562 1.074 . . . . 0.0 109.134 -163.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.99 78.46 17.33 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 123.407 0.683 . . . . 0.0 111.204 -167.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.42 -19.14 61.28 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 122.065 1.843 . . . . 0.0 111.808 174.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.77 173.51 23.53 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 108.22 -1.952 . . . . 0.0 108.22 164.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.28 151.61 28.41 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 -174.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -159.69 131.43 6.22 Favored 'General case' 0 CA--C 1.521 -0.148 0 O-C-N 121.45 -1.029 . . . . 0.0 108.617 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.3 t -146.94 142.26 27.37 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 160.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.0 131.08 0.03 OUTLIER 'General case' 0 C--O 1.235 0.326 0 C-N-CA 129.421 3.088 . . . . 0.0 104.421 -176.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -73.43 70.8 1.26 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.511 1.05 . . . . 0.0 108.867 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -80.4 90.83 5.64 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.99 1.83 19.57 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.071 -1.018 . . . . 0.0 112.211 176.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.4 m -138.49 154.97 48.82 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.473 1.033 . . . . 0.0 110.052 -169.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.86 33.75 0.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.15 1.78 . . . . 0.0 113.09 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -120.32 -179.24 3.89 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.219 0.918 . . . . 0.0 110.447 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 p -126.2 169.98 12.29 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.775 1.63 . . . . 0.0 108.529 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 t -69.01 -34.55 75.44 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.528 0.603 . . . . 0.0 111.142 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -64.98 -47.0 79.14 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -68.74 -8.4 42.6 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.12 -2.95 48.9 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.751 1.62 . . . . 0.0 112.014 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.27 -57.22 5.12 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 120.449 1.477 . . . . 0.0 110.893 -167.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.35 -39.79 95.5 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.592 1.157 . . . . 0.0 109.437 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.581 HD13 HG21 ' A' ' 40' ' ' ILE . 7.7 tp -64.24 -33.5 75.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 127.089 2.156 . . . . 0.0 110.808 -173.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -83.92 -35.17 24.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.382 0.673 . . . . 0.0 112.721 169.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -69.78 -46.24 66.2 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 118.873 0.76 . . . . 0.0 109.627 -170.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -64.91 -16.89 63.82 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.65 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.61 -4.54 27.72 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.193 0.906 . . . . 0.0 112.904 171.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -82.66 -30.75 29.1 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.639 1.109 . . . . 0.0 112.436 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.6 m -119.8 -12.87 9.15 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -169.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.43 169.43 17.7 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.416 1.886 . . . . 0.0 106.944 160.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.03 18.4 11.68 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.567 0.622 . . . . 0.0 111.878 -174.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -160.18 97.45 1.25 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' CD2' HD12 ' A' ' 22' ' ' LEU . 6.5 mp -56.33 101.59 0.06 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 167.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 m -147.85 178.32 8.6 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 128.485 2.714 . . . . 0.0 107.324 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? 62.78 -86.11 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 128.563 2.745 . . . . 0.0 112.821 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.546 HG23 ' HG2' ' A' ' 36' ' ' GLU . 6.0 t -103.1 -26.88 12.87 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 173.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.546 ' HG2' HG23 ' A' ' 35' ' ' THR . 0.9 OUTLIER -81.55 -23.55 37.14 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 121.299 -0.876 . . . . 0.0 109.576 -155.64 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -62.21 -45.39 93.55 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 170.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 m -77.41 -25.42 50.77 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.977 0.911 . . . . 0.0 111.103 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -60.62 -63.01 1.45 Allowed 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 124.264 1.025 . . . . 0.0 108.442 -170.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.672 HG23 HD12 ' A' ' 44' ' ' LEU . 2.4 mp -67.33 -39.69 83.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -176.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.61 -26.54 65.54 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 118.113 -0.946 . . . . 0.0 112.023 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -120.07 20.34 12.11 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.091 0.956 . . . . 0.0 111.709 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.4 -34.61 2.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 117.161 -1.4 . . . . 0.0 113.522 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.672 HD12 HG23 ' A' ' 40' ' ' ILE . 23.1 mt -97.21 -88.78 0.29 Allowed 'General case' 0 C--N 1.346 0.417 0 CA-C-N 120.423 1.465 . . . . 0.0 109.925 -174.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -171.42 24.99 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 130.097 3.359 . . . . 0.0 111.382 -169.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.71 -178.99 3.81 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -175.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t -146.08 153.17 40.4 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.31 -41.61 97.28 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.004 0.922 . . . . 0.0 111.104 -170.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.456 ' O ' ' HE2' ' A' ' 52' ' ' LYS . 14.5 p -51.9 -33.49 15.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 C-N-CA 125.847 1.659 . . . . 0.0 112.741 174.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -86.74 -41.38 14.18 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 118.496 0.589 . . . . 0.0 110.557 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.05 -34.45 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 O-C-N 121.377 -0.827 . . . . 0.0 110.887 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HE2' ' O ' ' A' ' 49' ' ' VAL . 40.5 pttt -55.38 -34.38 64.28 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.828 1.194 . . . . 0.0 111.82 176.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.4 mt -82.38 -23.79 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.553 1.141 . . . . 0.0 109.325 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -61.44 -35.76 78.47 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 120.449 -1.407 . . . . 0.0 110.122 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -66.33 -18.03 65.11 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.837 -0.54 . . . . 0.0 111.695 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.33 3.92 1.12 Allowed 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.48 -1.388 . . . . 0.0 112.432 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -115.92 -18.62 10.67 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 124.701 1.2 . . . . 0.0 112.255 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -80.03 15.46 1.48 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -162.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -107.47 2.53 24.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.126 1.37 . . . . 0.0 113.017 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.54 -10.37 35.05 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 119.546 1.066 . . . . 0.0 112.168 -169.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -58.14 -48.76 79.27 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 119.49 1.041 . . . . 0.0 111.567 -175.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -75.32 -7.64 54.51 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 120.758 -1.214 . . . . 0.0 112.174 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.83 -45.62 8.69 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.714 1.206 . . . . 0.0 109.656 175.197 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -64.61 -6.79 8.39 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.891 1.678 . . . . 0.0 113.641 171.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mt -120.8 -1.97 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 128.449 2.7 . . . . 0.0 110.299 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.07 72.18 1.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.38 1.472 . . . . 0.0 107.74 162.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.5 -176.77 4.86 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.681 1.993 . . . . 0.0 109.775 166.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.42 98.62 2.34 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 107.774 -2.131 . . . . 0.0 107.774 170.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -153.02 40.4 0.55 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.708 1.203 . . . . 0.0 111.599 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.1 m -131.58 172.96 15.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 168.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.247 0.926 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -152.595 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.8 69.07 1.48 Allowed Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.79 1.636 . . . . 0.0 112.623 -176.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -71.1 178.03 5.85 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 124.102 3.202 . . . . 0.0 111.685 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.33 -166.14 38.86 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.8 -6.94 34.42 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 117.99 -1.45 . . . . 0.0 114.635 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 104.08 11.6 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 120.6 2.2 . . . . 0.0 109.094 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 m -57.82 111.04 1.02 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.7 105.51 4.0 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.09 0.956 . . . . 0.0 109.467 -176.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 110.0 1.18 Allowed 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.695 1.598 . . . . 0.0 110.158 177.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -76.58 92.62 3.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.243 0.929 . . . . 0.0 109.165 172.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -106.44 14.89 26.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.953 1.301 . . . . 0.0 114.188 -176.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 13' ' ' ALA . 7.4 m -89.82 178.26 6.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.635 0.774 . . . . 0.0 110.619 176.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.524 ' H ' HG22 ' A' ' 12' ' ' THR . . . -118.05 44.49 2.19 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.954 1.702 . . . . 0.0 112.189 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -125.79 -166.02 1.5 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.9 1.68 . . . . 0.0 109.271 174.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.6 p -132.65 164.15 27.36 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.007 1.323 . . . . 0.0 108.532 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.3 p -65.6 -14.85 62.0 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.414 -0.804 . . . . 0.0 112.472 173.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -98.4 -4.88 33.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.878 1.671 . . . . 0.0 111.21 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -107.21 -30.94 8.45 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.64 2.376 . . . . 0.0 109.435 169.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.75 -4.26 11.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.431 1.092 . . . . 0.0 112.837 171.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -45.2 76.93 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 120.158 1.345 . . . . 0.0 111.061 -173.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.6 -26.09 12.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 123.399 0.437 . . . . 0.0 109.938 -175.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.08 -49.22 78.5 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.308 1.043 . . . . 0.0 110.714 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -65.73 -25.87 67.48 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 121.895 -0.503 . . . . 0.0 111.852 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -70.28 -13.02 61.98 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.943 1.297 . . . . 0.0 111.643 -177.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -49.08 79.23 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 118.82 0.736 . . . . 0.0 109.189 173.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.11 -1.2 11.54 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 126.359 1.864 . . . . 0.0 113.804 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -98.35 -0.97 42.72 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.126 0.971 . . . . 0.0 111.658 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.16 -32.66 0.78 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.392 1.077 . . . . 0.0 111.956 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -133.13 177.2 7.85 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 126.634 1.974 . . . . 0.0 105.928 169.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -140.98 27.05 2.0 Favored 'General case' 0 N--CA 1.423 -1.783 0 C-N-CA 123.253 0.621 . . . . 0.0 110.96 167.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -148.48 62.77 1.08 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.936 1.694 . . . . 0.0 108.626 -166.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.66 109.3 0.6 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.946 1.298 . . . . 0.0 110.701 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.3 t -65.03 176.35 1.28 Allowed 'General case' 0 C--O 1.238 0.473 0 C-N-CA 125.834 1.654 . . . . 0.0 111.229 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -54.95 27.56 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.88 1.272 . . . . 0.0 109.072 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -64.88 -31.08 72.14 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.066 0.946 . . . . 0.0 111.692 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.83 -39.73 23.56 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.691 0.796 . . . . 0.0 109.062 -167.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -56.55 -47.14 80.09 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 170.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.2 m -65.79 -2.71 3.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.776 1.63 . . . . 0.0 114.493 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -74.92 -80.18 0.08 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 120.541 1.519 . . . . 0.0 106.959 166.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.478 HD12 ' H ' ' A' ' 40' ' ' ILE . 5.1 mp -52.38 -43.4 40.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 118.628 0.649 . . . . 0.0 111.308 -176.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.29 -10.81 57.39 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-O 118.294 -0.86 . . . . 0.0 112.817 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -133.79 36.67 3.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 120.115 1.325 . . . . 0.0 109.001 170.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.04 -63.43 1.11 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 118.247 -0.883 . . . . 0.0 109.329 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.05 -86.95 0.08 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -169.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -164.83 8.76 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.761 2.425 . . . . 0.0 111.305 -157.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 mp -105.94 141.87 36.6 Favored 'General case' 0 CA--C 1.522 -0.115 0 O-C-N 120.446 -1.408 . . . . 0.0 108.22 -167.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 m -77.69 140.63 39.57 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 170.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.29 -47.95 13.02 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.866 1.666 . . . . 0.0 111.002 170.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.8 t -59.06 -62.68 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.31 0.644 . . . . 0.0 109.532 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -35.22 64.03 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.828 0.851 . . . . 0.0 111.829 -171.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.8 -34.86 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 123.134 0.574 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -55.86 -37.21 68.47 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 120.721 -1.237 . . . . 0.0 112.135 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -81.12 -18.06 11.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 O-C-N 121.58 -0.7 . . . . 0.0 110.912 -173.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -58.6 -40.78 84.22 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 120.396 -1.44 . . . . 0.0 109.815 171.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -66.89 -26.92 67.11 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.259 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.37 -19.63 56.43 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.723 1.609 . . . . 0.0 110.831 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -87.01 -50.34 6.72 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 123.758 0.823 . . . . 0.0 111.305 167.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -68.97 -3.24 12.16 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -173.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -91.82 -7.98 47.91 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.894 1.225 . . . . 0.0 111.987 174.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.37 -21.16 46.11 Favored 'General case' 0 N--CA 1.461 0.122 0 O-C-N 121.07 -1.019 . . . . 0.0 112.259 -164.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -54.1 -61.01 2.58 Favored 'General case' 0 C--N 1.337 0.064 0 CA-C-N 118.731 0.696 . . . . 0.0 110.602 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -63.94 -38.28 90.52 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.613 -170.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.72 -60.73 2.93 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.842 1.257 . . . . 0.0 109.965 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -61.02 -25.6 67.02 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.925 -174.279 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.58 -8.47 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 125.083 1.353 . . . . 0.0 110.413 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 36.51 4.48 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.85 2.06 . . . . 0.0 107.883 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.76 108.55 19.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 175.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.63 61.35 0.01 OUTLIER Glycine 0 CA--C 1.521 0.413 0 N-CA-C 111.748 -0.541 . . . . 0.0 111.748 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -146.69 176.19 10.04 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -78.88 119.27 27.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 170.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.6 m . . . . . 0 C--O 1.249 1.03 0 C-N-CA 128.924 2.89 . . . . 0.0 114.601 -172.783 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.31 85.33 6.35 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 125.714 1.606 . . . . 0.0 107.845 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.4 142.61 41.26 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.804 1.67 . . . . 0.0 109.597 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.0 171.86 41.02 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.72 1.153 . . . . 0.0 110.255 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.73 153.65 38.74 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -129.12 162.69 27.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.205 1.402 . . . . 0.0 109.049 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.7 m -122.57 167.93 12.79 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 122.177 0.989 . . . . 0.0 112.265 -162.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.78 98.05 4.03 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -133.32 175.56 9.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.463 1.105 . . . . 0.0 109.491 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -65.47 88.71 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 168.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -127.01 25.07 6.31 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.927 1.691 . . . . 0.0 110.307 -176.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -51.33 147.31 5.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.046 2.138 . . . . 0.0 110.105 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.54 52.47 0.77 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 124.537 1.135 . . . . 0.0 110.429 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -120.32 -168.78 1.68 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.903 0.881 . . . . 0.0 110.606 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.4 p -139.67 169.25 18.07 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.648 1.579 . . . . 0.0 108.277 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.99 -25.87 61.14 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.115 0.87 . . . . 0.0 112.151 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -58.51 -58.95 6.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 169.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -56.8 -46.45 81.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.561 0.745 . . . . 0.0 111.989 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.36 -22.3 63.11 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 117.352 -1.309 . . . . 0.0 113.558 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD22 ' HE3' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -58.69 -34.38 71.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 120.437 1.471 . . . . 0.0 111.158 -175.437 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG3' HD21 ' A' ' 44' ' ' LEU . 2.0 mt-10 -76.97 -36.46 56.46 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.836 -0.54 . . . . 0.0 110.481 -175.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.69 -36.92 85.85 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 126.583 1.953 . . . . 0.0 110.518 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -67.92 -49.42 61.95 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.74 1.216 . . . . 0.0 110.371 173.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE3' HD22 ' A' ' 20' ' ' LEU . 75.5 mttt -53.7 -48.87 69.13 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.868 0.867 . . . . 0.0 112.643 -174.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.82 -38.44 78.63 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.355 0.41 . . . . 0.0 111.038 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -15.5 63.67 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.518 -0.753 . . . . 0.0 112.284 -173.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -77.44 -18.55 57.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.699 0.681 . . . . 0.0 111.563 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.7 t -111.78 -49.67 2.97 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.493 1.117 . . . . 0.0 110.51 -174.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.36 104.31 7.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.353 1.061 . . . . 0.0 108.515 -172.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -68.77 0.08 4.74 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.465 1.906 . . . . 0.0 112.299 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -132.38 120.44 22.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.755 2.022 . . . . 0.0 106.452 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -86.9 116.28 24.86 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.5 m -75.69 -170.34 1.27 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.352 0.596 . . . . 0.0 110.239 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -53.34 20.54 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 120.736 -1.228 . . . . 0.0 111.322 -168.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.2 m -69.26 -32.11 71.08 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.182 0.447 . . . . 0.0 110.885 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.67 -34.18 76.41 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.98 -17.33 51.32 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 172.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.9 m -97.23 -4.13 39.52 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.033 -1.46 . . . . 0.0 113.249 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -56.6 -62.81 1.47 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.584 1.538 . . . . 0.0 108.424 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.44 -36.83 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.629 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.61 73.68 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.828 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -95.35 -2.29 49.48 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.127 0.876 . . . . 0.0 112.989 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.802 ' HB3' HD22 ' A' ' 44' ' ' LEU . . . -82.87 -59.15 2.59 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 -173.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 43' ' ' ALA . 1.2 mm? -106.05 -89.15 0.44 Allowed 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 119.207 -0.997 . . . . 0.0 112.274 -162.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.61 7.67 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 129.496 3.118 . . . . 0.0 111.419 -160.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.67 177.14 4.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.055 -1.653 . . . . 0.0 108.59 -173.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.8 t -115.2 127.65 55.66 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 164.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -44.72 -45.1 9.66 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.708 2.003 . . . . 0.0 110.819 174.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.67 -19.69 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 126.292 1.837 . . . . 0.0 112.072 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.69 -39.99 12.83 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.795 1.638 . . . . 0.0 110.348 170.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -57.71 -43.12 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.98 0.912 . . . . 0.0 110.064 -177.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -50.97 -26.39 5.92 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.8 mp -87.72 -20.5 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 120.697 -1.252 . . . . 0.0 111.262 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -60.36 -35.8 76.54 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.751 -1.218 . . . . 0.0 109.313 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -68.92 -45.15 71.59 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.992 0.917 . . . . 0.0 110.039 174.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -14.72 17.93 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.092 1.357 . . . . 0.0 112.945 174.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -99.6 -12.02 20.45 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.936 1.295 . . . . 0.0 112.426 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -94.13 -13.59 26.59 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.381 0.991 . . . . 0.0 111.338 168.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.71 -44.3 27.53 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.06 1.344 . . . . 0.0 112.487 -175.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.56 1.87 51.77 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 122.978 0.511 . . . . 0.0 111.855 -170.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.91 -55.38 23.7 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.382 0.992 . . . . 0.0 110.06 -177.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -72.65 -26.05 61.5 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.658 -0.651 . . . . 0.0 111.699 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -63.48 -46.99 83.6 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.862 1.21 . . . . 0.0 110.757 173.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . 0.288 0.0 OUTLIER -60.22 -34.26 73.41 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.164 0.893 . . . . 0.0 111.406 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.9 mt -72.07 -63.34 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -75.14 35.34 0.11 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.929 2.092 . . . . 0.0 112.804 -173.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.25 -173.23 0.38 Allowed 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.32 1.048 . . . . 0.0 110.036 165.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.92 -179.94 34.24 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.61 -1.177 . . . . 0.0 112.187 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -149.21 165.89 30.52 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 126.446 1.898 . . . . 0.0 109.298 -166.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.8 154.21 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 167.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.241 0.656 0 CA-C-O 116.772 -1.585 . . . . 0.0 107.812 172.322 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 N--CA 1.471 0.616 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.776 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.55 54.82 11.35 Favored Pre-proline 0 CA--C 1.541 0.598 0 CA-C-N 120.803 1.638 . . . . 0.0 115.016 156.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.61 145.64 58.62 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.891 1.727 . . . . 0.0 110.893 -176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.02 171.02 16.27 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 170.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.98 139.42 10.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 108.352 -1.899 . . . . 0.0 108.352 -171.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 74.0 3.53 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.614 0.766 . . . . 0.0 110.379 -171.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -157.98 122.6 4.27 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -133.04 69.62 1.48 Allowed 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.438 1.495 . . . . 0.0 109.324 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 mtm-85 -66.37 101.6 0.76 Allowed 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 172.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -140.12 61.34 1.53 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.849 1.26 . . . . 0.0 111.223 -172.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -69.66 32.13 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.628 2.085 . . . . 0.0 116.628 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 t -125.98 165.77 18.17 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 123.448 0.699 . . . . 0.0 112.057 -175.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.37 23.3 13.36 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.583 1.953 . . . . 0.0 110.933 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -71.85 144.72 48.98 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.042 -1.036 . . . . 0.0 108.875 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.24 159.92 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 127.211 2.205 . . . . 0.0 109.409 -177.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.4 t -55.32 -28.2 52.08 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.558 1.143 . . . . 0.0 110.979 169.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -71.08 -23.82 62.19 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.818 1.19 . . . . 0.0 111.549 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -97.73 -12.9 21.79 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.756 1.222 . . . . 0.0 112.215 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mp -88.47 -6.64 57.5 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.893 -1.051 . . . . 0.0 111.946 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.35 -60.86 3.14 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.248 1.019 . . . . 0.0 109.768 -177.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.42 -30.67 71.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.163 1.385 . . . . 0.0 111.074 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mt -64.8 -48.89 72.8 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 124.383 1.073 . . . . 0.0 109.619 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -66.23 -35.06 79.44 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.591 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -64.05 -44.09 93.54 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.557 1.143 . . . . 0.0 110.159 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.15 -20.69 64.03 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.954 1.702 . . . . 0.0 112.323 172.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.4 0.11 57.08 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.301 1.04 . . . . 0.0 112.015 173.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.41 -52.55 17.97 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.865 1.211 . . . . 0.0 109.227 170.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.5 m -66.18 -54.09 29.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.198 0.999 . . . . 0.0 110.669 -173.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' HE2' HD12 ' A' ' 32' ' ' LEU . 2.3 pptp? -132.13 158.32 41.96 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.014 -159.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -88.45 -19.16 26.87 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -164.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -139.61 -167.54 2.29 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 124.388 1.075 . . . . 0.0 108.863 -150.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD12 ' HE2' ' A' ' 29' ' ' LYS . 2.3 tp -146.59 80.82 1.56 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -74.49 73.88 1.93 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.959 2.504 . . . . 0.0 109.557 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 44.13 -86.1 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 128.774 2.83 . . . . 0.0 112.054 -165.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.0 m -48.07 -32.29 6.57 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 129.192 2.997 . . . . 0.0 114.13 -163.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.34 -39.4 86.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.454 1.102 . . . . 0.0 108.991 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -64.02 -38.6 91.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.234 -0.916 . . . . 0.0 112.126 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.7 m -73.17 -11.08 60.4 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.738 1.215 . . . . 0.0 110.18 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -70.79 -69.63 0.35 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 166.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.418 HD12 ' H ' ' A' ' 40' ' ' ILE . 4.3 mp -53.67 -46.39 61.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 118.417 0.553 . . . . 0.0 110.135 -173.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.2 -12.15 48.2 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -124.09 -2.25 8.17 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.379 0.99 . . . . 0.0 111.415 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.15 -49.14 4.0 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.655 1.182 . . . . 0.0 109.778 -176.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mt -88.57 -88.14 0.15 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.967 -174.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -164.05 13.52 0.05 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 130.691 3.597 . . . . 0.0 111.993 -170.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.99 -176.08 3.45 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.518 -1.364 . . . . 0.0 111.43 -163.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.48 117.74 21.86 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.912 1.685 . . . . 0.0 109.412 -168.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.85 -35.69 61.77 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.086 1.312 . . . . 0.0 111.886 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.61 -52.26 63.04 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.91 -43.85 78.29 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 123.069 0.548 . . . . 0.0 110.501 -176.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.04 -28.3 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 O-C-N 120.956 -1.09 . . . . 0.0 109.971 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -50.31 -34.52 23.9 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.378 1.071 . . . . 0.0 111.512 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.61 -29.16 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 119.011 0.823 . . . . 0.0 111.153 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -53.78 -38.98 65.03 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 121.01 -1.056 . . . . 0.0 111.607 -172.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -89.37 -36.38 15.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.217 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.7 -33.98 36.63 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.824 1.65 . . . . 0.0 111.541 175.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.02 -18.32 45.35 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -106.39 -1.28 23.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 119.281 0.946 . . . . 0.0 111.142 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -69.21 -27.45 65.5 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.972 1.26 . . . . 0.0 112.221 -173.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -103.12 12.61 35.61 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.882 0.873 . . . . 0.0 110.714 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -55.89 -54.33 45.9 Favored 'General case' 0 N--CA 1.462 0.128 0 O-C-N 121.349 -0.845 . . . . 0.0 109.512 174.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -62.51 -47.56 83.41 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.725 0.41 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -27.41 68.37 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 117.836 -1.078 . . . . 0.0 112.308 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -10.66 32.18 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.687 1.585 . . . . 0.0 113.702 172.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.5 mt -127.35 -10.58 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 125.456 1.502 . . . . 0.0 109.946 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -127.54 30.81 5.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.693 2.397 . . . . 0.0 110.196 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.54 165.53 22.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 121.311 -0.868 . . . . 0.0 108.706 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.15 168.15 14.74 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 126.289 1.899 . . . . 0.0 109.352 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -90.3 -173.52 3.84 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.53 100.89 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.241 0.626 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 120.919 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 117.264 -1.35 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.97 72.04 2.71 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 120.461 1.482 . . . . 0.0 111.136 172.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -86.93 143.91 7.09 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.2 165.22 38.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.616 -0.678 . . . . 0.0 113.913 176.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.71 154.94 9.97 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 126.508 2.004 . . . . 0.0 111.596 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -151.77 105.62 3.14 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 126.949 2.1 . . . . 0.0 108.632 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.24 167.83 26.61 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.275 0.943 . . . . 0.0 111.27 175.147 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -116.64 84.86 2.21 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.804 1.642 . . . . 0.0 108.749 172.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -148.75 145.06 27.44 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.18 1.392 . . . . 0.0 109.08 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' HA ' HG21 ' A' ' 53' ' ' ILE . 1.9 ptp180 -71.48 43.06 0.08 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.259 1.424 . . . . 0.0 113.149 172.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -77.11 59.58 1.74 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.431 1.093 . . . . 0.0 109.832 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.4 HG23 ' CE2' ' A' ' 14' ' ' PHE . 4.5 m -64.26 130.99 46.04 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 170.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.8 48.24 1.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.608 1.563 . . . . 0.0 108.147 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.4 ' CE2' HG23 ' A' ' 12' ' ' THR . 21.3 m-85 -77.31 -165.92 0.66 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.13 0.972 . . . . 0.0 108.813 171.475 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.42 158.36 43.97 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 126.055 1.742 . . . . 0.0 106.585 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -59.88 -25.58 65.19 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.4 -10.96 60.45 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.166 0.986 . . . . 0.0 112.383 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' HB3' HD11 ' A' ' 46' ' ' LEU . 34.3 mt-30 -122.1 -17.21 7.29 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.739 1.216 . . . . 0.0 111.376 177.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.75 -3.25 37.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.844 171.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.59 -52.32 58.13 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 120.651 1.569 . . . . 0.0 109.166 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.94 -35.78 81.8 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.387 1.075 . . . . 0.0 110.677 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tp -66.43 -48.5 69.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.346 1.458 . . . . 0.0 109.339 -173.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -71.9 -33.4 68.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.53 -0.748 . . . . 0.0 112.06 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -56.24 -54.16 48.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 119.32 0.964 . . . . 0.0 109.672 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.21 -43.42 98.9 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.444 0.698 . . . . 0.0 109.793 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -11.12 39.18 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -83.61 -34.55 25.08 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.989 1.268 . . . . 0.0 109.81 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.75 -39.23 76.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.869 0.868 . . . . 0.0 109.61 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.39 161.58 37.56 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 123.762 0.825 . . . . 0.0 109.575 -169.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 6.49 22.24 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -163.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -141.88 127.64 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.673 1.189 . . . . 0.0 107.892 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -88.79 99.29 12.25 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -65.96 -179.28 0.7 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.725 2.01 . . . . 0.0 111.182 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -56.92 12.49 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.318 -0.864 . . . . 0.0 112.266 -167.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 t -64.31 -28.4 69.69 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.324 1.059 . . . . 0.0 110.401 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.78 -32.73 71.37 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -75.56 -16.28 60.27 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.066 1.747 . . . . 0.0 112.357 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -13.59 43.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.91 0.884 . . . . 0.0 112.394 171.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -62.27 -66.77 0.49 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.787 1.176 . . . . 0.0 110.644 -171.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.82 -36.91 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.083 0.953 . . . . 0.0 110.103 -174.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.79 -32.42 67.52 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -107.74 0.32 22.24 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.711 0.687 . . . . 0.0 111.442 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.19 -36.81 13.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.904 0.881 . . . . 0.0 110.086 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.1 mt -119.41 -87.22 0.64 Allowed 'General case' 0 C--N 1.342 0.27 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -163.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER 174.15 11.92 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.217 2.207 . . . . 0.0 113.503 -166.614 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 18' ' ' GLN . 7.1 mp -71.58 178.69 3.39 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.163 -0.961 . . . . 0.0 108.94 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.3 m -124.68 121.21 34.06 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.704 1.202 . . . . 0.0 109.015 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.03 -39.56 72.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.306 1.442 . . . . 0.0 112.893 -162.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.25 -41.97 88.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.946 -0.471 . . . . 0.0 109.774 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -40.54 83.56 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.901 1.28 . . . . 0.0 110.239 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.6 -45.77 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -52.32 -24.64 7.86 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.399 1.48 . . . . 0.0 113.353 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.43 HG21 ' HA ' ' A' ' 10' ' ' ARG . 16.2 mt -104.05 -21.36 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 124.35 1.06 . . . . 0.0 110.369 -172.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -52.1 -44.84 64.62 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.923 1.238 . . . . 0.0 108.345 166.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.3 -21.42 66.6 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.56 -21.71 66.15 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 120.641 1.564 . . . . 0.0 111.003 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -83.02 -62.91 1.47 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 125.356 1.462 . . . . 0.0 108.983 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.3 -6.67 3.37 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -169.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -95.16 11.67 31.46 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.089 0.956 . . . . 0.0 112.196 -177.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.28 -8.63 32.27 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.3 1.44 . . . . 0.0 112.108 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -50.34 -61.92 1.89 Allowed 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 119.605 1.093 . . . . 0.0 112.751 -172.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -64.94 -21.97 66.92 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.528 -0.733 . . . . 0.0 111.283 -174.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -71.57 -54.17 11.37 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 124.537 1.135 . . . . 0.0 110.907 171.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -54.18 -28.09 38.28 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.752 1.16 . . . . 0.0 111.944 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.1 -69.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -83.48 61.78 6.41 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.808 1.643 . . . . 0.0 109.685 -176.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -161.44 147.55 14.16 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.281 1.832 . . . . 0.0 107.462 159.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.35 79.71 1.44 Allowed Glycine 0 C--N 1.331 0.26 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -155.19 106.78 2.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.934 0.894 . . . . 0.0 108.834 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.9 m -136.69 148.77 26.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 169.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.034 0 C-N-CA 126.603 1.961 . . . . 0.0 107.254 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.65 63.69 7.72 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.341 1.856 . . . . 0.0 112.961 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.11 168.0 18.59 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.015 2.477 . . . . 0.0 112.289 177.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.58 82.26 0.05 OUTLIER Glycine 0 C--N 1.335 0.503 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -176.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.82 -161.92 28.09 Favored Glycine 0 CA--C 1.525 0.672 0 CA-C-N 118.037 0.918 . . . . 0.0 112.817 -169.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.81 152.99 45.61 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.759 1.224 . . . . 0.0 110.486 -174.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -151.95 175.6 12.33 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.507 1.523 . . . . 0.0 108.904 -175.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -131.81 134.13 45.45 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 125.476 1.511 . . . . 0.0 107.719 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -138.04 150.87 47.32 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 119.626 1.103 . . . . 0.0 110.559 168.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.95 48.31 1.21 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.478 1.511 . . . . 0.0 109.614 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -123.07 38.69 4.13 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.045 1.338 . . . . 0.0 109.363 -174.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.1 m -58.94 130.11 45.42 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 119.126 0.875 . . . . 0.0 109.731 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.65 88.99 2.87 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 128.313 2.645 . . . . 0.0 105.529 170.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -120.24 163.65 17.46 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 163.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.8 p -114.15 164.03 14.41 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 125.777 1.631 . . . . 0.0 109.263 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 t -56.78 -42.84 80.13 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.634 -0.666 . . . . 0.0 109.991 173.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -52.9 -29.54 28.99 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.922 1.289 . . . . 0.0 114.223 173.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' HB3' HD11 ' A' ' 46' ' ' LEU . 70.5 mt-30 -95.94 -11.82 26.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.375 2.27 . . . . 0.0 112.111 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -101.11 -12.82 18.5 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.224 1.409 . . . . 0.0 112.817 -175.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.5 -59.78 4.02 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.899 1.279 . . . . 0.0 110.009 -174.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -71.65 -41.36 68.86 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.309 1.844 . . . . 0.0 108.128 -173.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.5 tp -58.93 -50.52 73.74 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 127.113 2.165 . . . . 0.0 110.664 -174.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.22 -47.19 62.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.973 1.709 . . . . 0.0 109.89 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -56.67 -46.19 81.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 118.869 0.759 . . . . 0.0 110.941 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -13.57 62.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.451 -178.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.03 -7.95 59.67 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 119.209 0.913 . . . . 0.0 112.331 173.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -82.27 -44.31 16.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.926 0.89 . . . . 0.0 110.539 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 89.1 m -86.26 -21.11 27.55 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.09 0.859 . . . . 0.0 111.048 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.64 113.59 5.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.5 17.82 0.81 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.07 0.948 . . . . 0.0 111.107 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -147.99 141.88 25.81 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 128.245 2.618 . . . . 0.0 107.133 -170.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.6 mt -113.16 105.28 13.26 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.594 1.958 . . . . 0.0 109.356 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.0 m -68.51 96.77 0.72 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.624 1.17 . . . . 0.0 109.227 165.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 43.54 -80.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 129.548 3.139 . . . . 0.0 115.212 164.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.3 m -54.39 -34.66 61.72 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.615 0.766 . . . . 0.0 111.006 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -69.78 -14.82 62.96 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.157 0.983 . . . . 0.0 110.364 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -97.3 0.52 48.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.263 1.825 . . . . 0.0 112.373 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 p -101.92 -22.33 14.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.008 0.923 . . . . 0.0 110.89 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -66.93 -59.91 3.1 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 123.73 0.812 . . . . 0.0 109.945 -164.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.71 -30.37 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 121.524 -0.735 . . . . 0.0 109.134 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.52 -6.43 30.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.991 1.317 . . . . 0.0 113.907 174.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -138.44 8.41 2.64 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.038 1.29 . . . . 0.0 113.479 175.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.79 -47.25 3.16 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.538 1.535 . . . . 0.0 109.539 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.13 -89.5 0.17 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.737 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.97 24.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.597 2.359 . . . . 0.0 108.804 -166.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 18' ' ' GLN . 6.4 mp -111.7 173.35 6.39 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 -175.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 m -142.66 141.7 31.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 118.357 -0.83 . . . . 0.0 108.937 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -47.2 -46.36 23.94 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.037 0.935 . . . . 0.0 112.228 -173.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' HA ' ' HE3' ' A' ' 52' ' ' LYS . 14.9 p -53.94 -38.39 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 124.264 1.025 . . . . 0.0 111.655 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -42.15 14.61 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.082 1.353 . . . . 0.0 109.859 177.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.82 -39.5 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 O-C-N 121.526 -0.734 . . . . 0.0 110.208 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 49' ' ' VAL . 10.8 ptpt -56.41 -22.83 34.21 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.382 0.992 . . . . 0.0 113.447 -178.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.9 mp -85.37 -20.98 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 O-C-N 120.243 -1.535 . . . . 0.0 111.435 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 36.5 t90 -59.1 -35.87 74.16 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.881 1.219 . . . . 0.0 109.491 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -72.06 -34.02 68.41 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.609 -0.682 . . . . 0.0 110.838 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -8.01 4.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.291 1.436 . . . . 0.0 111.705 171.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -121.73 -21.39 6.14 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 117.341 -1.314 . . . . 0.0 113.97 171.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -74.07 83.18 1.77 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 121.39 1.905 . . . . 0.0 110.679 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 75.19 13.33 3.21 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.321 2.648 . . . . 0.0 110.668 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.22 -12.9 14.06 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.723 0.809 . . . . 0.0 111.215 170.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.67 -49.85 64.41 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.484 1.038 . . . . 0.0 112.318 -168.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -81.17 -51.66 8.2 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.124 0.57 . . . . 0.0 109.464 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -45.68 -34.67 3.65 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.976 2.11 . . . . 0.0 113.213 -177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -59.24 -52.3 66.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 119.562 1.074 . . . . 0.0 112.295 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mt -68.78 -51.54 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 27.52 0.05 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.243 1.817 . . . . 0.0 111.595 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.73 85.41 4.75 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 168.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.83 -109.54 3.05 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -150.46 86.38 1.4 Allowed 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.571 0.748 . . . . 0.0 110.105 -156.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 t -147.84 137.54 16.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 125.763 1.625 . . . . 0.0 107.359 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 C--O 1.248 0.999 0 N-CA-C 105.204 -2.147 . . . . 0.0 105.204 151.838 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.34 150.37 37.44 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 120.881 -1.137 . . . . 0.0 111.419 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -71.59 176.21 8.44 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.758 2.306 . . . . 0.0 109.218 159.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.5 -27.05 2.11 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.42 1.009 . . . . 0.0 111.535 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.55 -160.45 52.9 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-N 117.615 0.708 . . . . 0.0 111.681 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -45.36 114.54 0.76 Allowed 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.931 1.693 . . . . 0.0 110.834 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.58 123.28 12.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.454 1.101 . . . . 0.0 110.928 -178.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -96.74 150.11 21.07 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.074 0.949 . . . . 0.0 108.567 163.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -73.57 52.86 0.4 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.157 1.783 . . . . 0.0 111.39 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -75.4 35.38 0.12 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.951 1.7 . . . . 0.0 114.735 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -66.11 20.86 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.667 2.787 . . . . 0.0 115.542 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -65.73 124.21 21.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.678 1.191 . . . . 0.0 110.47 -172.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 67.09 5.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.124 0.97 . . . . 0.0 109.62 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -138.5 -164.91 1.72 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.381 1.472 . . . . 0.0 108.166 167.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.32 152.89 46.2 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 126.694 1.998 . . . . 0.0 107.365 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.89 -9.45 51.74 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.069 0.948 . . . . 0.0 112.123 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -40.51 55.28 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.447 1.022 . . . . 0.0 110.163 170.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -73.62 -44.8 56.12 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.07 -6.47 1.39 Allowed 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.347 1.459 . . . . 0.0 114.059 -177.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -62.37 -42.83 99.72 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 120.428 1.467 . . . . 0.0 110.164 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.73 -32.97 68.33 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.349 0.595 . . . . 0.0 110.318 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.39 -52.84 62.93 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 170.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -66.54 -30.9 71.32 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.053 0.541 . . . . 0.0 112.229 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -70.79 -46.4 62.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.515 0.726 . . . . 0.0 110.527 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -47.03 86.93 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 121.543 -0.723 . . . . 0.0 109.771 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.18 2.13 11.66 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -91.17 -29.3 17.33 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.973 1.309 . . . . 0.0 111.16 169.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.7 m -85.83 -38.85 17.69 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.758 0.823 . . . . 0.0 111.006 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -129.13 150.91 50.32 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 124.943 1.297 . . . . 0.0 109.501 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -93.66 32.07 1.47 Allowed 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.385 0.674 . . . . 0.0 110.362 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -163.19 -167.93 1.59 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 -172.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.1 mt -159.01 103.11 1.66 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 103.354 -2.832 . . . . 0.0 103.354 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.0 m -61.28 165.16 4.75 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -45.67 82.82 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.433 -0.792 . . . . 0.0 110.772 -165.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -50.84 -42.87 58.98 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 125.067 1.347 . . . . 0.0 111.902 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -71.4 -47.52 55.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.468 1.507 . . . . 0.0 107.773 -165.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -62.3 -39.55 93.35 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.261 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 m -58.94 -34.66 72.0 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 117.682 -1.152 . . . . 0.0 112.543 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 -61.66 -61.07 2.78 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.5 mp -45.64 -54.24 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 123.843 0.857 . . . . 0.0 110.639 172.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.14 -18.62 64.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.685 -172.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -127.63 -2.03 6.09 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 119.391 0.996 . . . . 0.0 113.303 -168.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.68 -12.64 13.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.946 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.7 mt -113.64 -90.07 0.53 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.804 1.184 . . . . 0.0 110.576 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.49 33.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 130.233 3.413 . . . . 0.0 108.768 -168.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.82 166.25 10.51 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.099 -1.001 . . . . 0.0 109.099 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.89 119.61 32.08 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -174.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.79 -41.65 7.14 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.311 1.844 . . . . 0.0 113.19 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.9 t -70.05 -36.89 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 O-C-N 120.786 -1.196 . . . . 0.0 110.9 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -41.38 75.94 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.249 1.02 . . . . 0.0 110.105 176.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.3 -38.69 70.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.35 1.06 . . . . 0.0 108.947 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -54.73 -27.15 38.69 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.09 0.956 . . . . 0.0 113.377 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mt -102.56 -19.94 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 119.52 1.055 . . . . 0.0 110.471 -170.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -58.99 -32.1 69.39 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.295 -1.503 . . . . 0.0 110.178 172.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -54.65 -31.15 57.1 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.303 1.041 . . . . 0.0 112.391 172.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.53 10.75 0.16 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.55 1.94 . . . . 0.0 113.316 176.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -126.41 -53.13 1.48 Allowed 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 126.529 1.932 . . . . 0.0 107.876 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 tpt85 -66.16 -1.81 3.61 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -99.95 -5.98 27.37 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.387 1.075 . . . . 0.0 112.585 175.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.71 -11.5 59.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 120.352 1.433 . . . . 0.0 113.005 -167.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -47.55 -55.5 9.08 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 125.486 1.514 . . . . 0.0 112.002 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -63.55 -45.43 90.59 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 118.886 0.766 . . . . 0.0 109.997 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -62.58 -38.56 90.59 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 117.904 -1.046 . . . . 0.0 112.223 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -13.03 24.73 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.985 1.72 . . . . 0.0 113.942 174.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.6 mt -108.65 -13.85 10.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 125.325 1.45 . . . . 0.0 109.699 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -115.77 1.03 13.36 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.358 1.463 . . . . 0.0 112.829 -176.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.6 110.0 1.86 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 164.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.8 107.22 3.5 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 107.627 -2.189 . . . . 0.0 107.627 173.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -140.73 167.98 20.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.97 1.708 . . . . 0.0 109.293 -173.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.66 103.56 5.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 -175.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.405 1.482 . . . . 0.0 110.858 -162.411 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 N--CA 1.467 0.386 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.71 56.0 3.56 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.173 1.389 . . . . 0.0 110.779 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.49 131.29 19.91 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.283 1.989 . . . . 0.0 109.321 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.45 -174.22 35.59 Favored Glycine 0 CA--C 1.522 0.481 0 CA-C-N 119.328 0.967 . . . . 0.0 113.049 -170.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.79 86.33 0.87 Allowed Glycine 0 CA--C 1.525 0.67 0 C-N-CA 124.575 1.084 . . . . 0.0 111.149 -177.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -74.49 160.85 30.4 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.085 0.943 . . . . 0.0 108.954 159.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.32 160.37 18.17 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 124.208 1.003 . . . . 0.0 108.394 159.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.92 95.96 10.52 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 124.768 1.227 . . . . 0.0 109.097 -177.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -63.17 159.86 16.69 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.6 44.65 0.08 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 127.645 2.378 . . . . 0.0 112.909 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -77.2 57.09 1.38 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.914 -1.116 . . . . 0.0 109.982 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 t -65.09 -179.38 0.55 Allowed 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.565 -0.709 . . . . 0.0 110.779 169.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.67 89.56 2.0 Allowed 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 167.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -128.8 179.33 5.77 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.619 1.967 . . . . 0.0 108.074 168.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.75 154.63 39.22 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 127.145 2.178 . . . . 0.0 107.613 -176.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -15.61 9.66 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.35 1.06 . . . . 0.0 112.775 169.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.59 -49.8 43.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 119.688 1.131 . . . . 0.0 110.395 171.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.42 ' HA ' HD22 ' A' ' 44' ' ' LEU . 7.4 mt-30 -88.49 -21.02 24.39 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.006 -172.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.01 -30.38 68.76 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 121.099 -1.001 . . . . 0.0 111.235 172.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -38.64 79.06 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.544 0.738 . . . . 0.0 112.708 -163.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.494 ' HB2' HD11 ' A' ' 44' ' ' LEU . 3.1 mt-10 -86.56 -32.64 20.57 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.222 1.009 . . . . 0.0 110.599 -173.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -48.53 70.83 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 126.523 1.929 . . . . 0.0 111.053 171.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.34 -30.99 62.26 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 123.906 0.882 . . . . 0.0 112.243 -178.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -58.87 6.1 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 172.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -77.69 30.15 0.16 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.065 1.346 . . . . 0.0 112.096 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -129.43 2.27 5.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.588 1.155 . . . . 0.0 112.107 164.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -73.45 -62.45 1.48 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 86.4 m -78.93 -22.5 45.69 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -169.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.503 ' HE2' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.15 125.76 32.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 -174.861 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.04 42.95 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -158.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -176.91 -174.08 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.5 1.52 . . . . 0.0 107.094 -175.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.503 HD23 ' HE2' ' A' ' 29' ' ' LYS . 29.9 mt -138.13 96.35 3.18 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 169.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -69.38 168.91 13.38 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.922 1.289 . . . . 0.0 109.587 169.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.25 -53.14 59.83 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.42 1.009 . . . . 0.0 111.135 -166.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 m -60.73 -40.96 94.34 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.937 0.895 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.94 -36.22 79.75 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.579 0.752 . . . . 0.0 109.527 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -68.88 -21.47 64.25 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.439 1.496 . . . . 0.0 110.737 -174.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.9 p -95.94 -5.66 40.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.46 1.027 . . . . 0.0 112.605 173.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.93 -59.55 5.19 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.51 1.504 . . . . 0.0 110.166 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mp -54.19 -50.92 52.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 C-N-CA 124.876 1.27 . . . . 0.0 109.301 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.25 -25.43 67.08 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -174.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -78.26 -9.33 59.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.468 1.107 . . . . 0.0 112.628 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.25 -2.6 1.12 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.214 1.37 . . . . 0.0 112.879 -166.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 21' ' ' GLU . 30.2 mt -147.31 115.28 6.5 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 129.404 3.082 . . . . 0.0 104.393 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HD3' ' H ' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -58.12 33.23 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.752 1 C-N-CA 131.82 4.048 . . . . 0.0 114.405 175.95 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -179.54 0.35 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.1 2.56 . . . . 0.0 112.259 173.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.6 m -98.46 110.86 23.38 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.296 1.438 . . . . 0.0 109.391 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.6 -26.41 63.64 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.285 1.034 . . . . 0.0 112.97 -177.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.53 -46.46 95.43 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 O-C-N 121.385 -0.822 . . . . 0.0 108.937 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -37.42 75.55 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.247 1.419 . . . . 0.0 111.376 -170.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -56.24 -32.81 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -56.2 -22.62 30.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.969 2.108 . . . . 0.0 113.879 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -111.02 -25.58 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 119.233 0.924 . . . . 0.0 110.347 -176.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -58.11 -37.57 74.81 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.289 -0.882 . . . . 0.0 112.172 -171.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -82.15 -29.37 31.63 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 122.272 -0.268 . . . . 0.0 111.352 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.9 -35.69 73.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.954 1.702 . . . . 0.0 110.141 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -55.24 -42.92 74.08 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.529 -0.732 . . . . 0.0 110.566 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -5.45 14.21 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.341 1.456 . . . . 0.0 113.396 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -109.63 -22.72 11.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 120.571 1.532 . . . . 0.0 111.788 171.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.11 -35.91 56.0 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.072 0.851 . . . . 0.0 111.993 174.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -48.56 -60.83 2.38 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -157.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -71.12 -40.99 71.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.893 1.224 . . . . 0.0 110.726 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -61.63 -23.66 66.19 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 117.231 -1.366 . . . . 0.0 112.484 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -73.24 -24.07 60.43 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 120.364 1.438 . . . . 0.0 113.654 172.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.6 mm -86.87 -50.14 14.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -76.31 47.39 0.46 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.331 1.852 . . . . 0.0 109.697 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.64 13.91 22.44 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.252 1.821 . . . . 0.0 112.554 -167.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 153.05 -19.44 0.74 Allowed Glycine 0 CA--C 1.526 0.76 0 C-N-CA 124.592 1.091 . . . . 0.0 110.552 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -142.17 -170.57 3.19 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 127.407 2.283 . . . . 0.0 108.72 172.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.0 m -98.61 -164.65 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 125.296 1.439 . . . . 0.0 109.668 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.248 1.007 0 O-C-N 121.254 -0.904 . . . . 0.0 109.543 171.688 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 117.597 -1.192 . . . . 0.0 113.941 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.79 152.39 3.58 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 119.617 1.098 . . . . 0.0 113.928 -168.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.16 150.97 76.42 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.778 2.319 . . . . 0.0 110.551 170.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.24 -168.63 30.22 Favored Glycine 0 C--O 1.238 0.366 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 -161.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.83 -169.98 20.29 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 124.504 1.049 . . . . 0.0 113.067 -172.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -121.04 161.99 20.74 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -169.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.5 t -157.14 117.37 3.51 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -133.36 22.96 4.06 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.813 1.245 . . . . 0.0 111.712 -175.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -75.28 30.33 0.1 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 117.562 2.43 . . . . 0.0 117.562 -158.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -72.27 59.05 0.4 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.071 1.748 . . . . 0.0 115.341 -168.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -77.26 49.04 0.67 Allowed 'General case' 0 N--CA 1.473 0.683 0 O-C-N 119.359 -2.088 . . . . 0.0 111.656 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -80.37 153.92 28.03 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 125.164 1.386 . . . . 0.0 108.635 176.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.5 3.43 53.97 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -86.48 171.26 11.23 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.345 1.058 . . . . 0.0 111.366 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.1 p -93.19 179.48 5.41 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 126.652 1.981 . . . . 0.0 108.572 -178.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -80.73 -38.31 29.0 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 120.737 -1.227 . . . . 0.0 108.519 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -67.57 -9.27 41.21 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -113.98 -14.11 12.46 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.542 1.065 . . . . 0.0 112.832 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.86 -8.52 56.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.919 1.688 . . . . 0.0 113.338 170.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -69.08 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 119.866 1.212 . . . . 0.0 112.259 -164.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.98 -20.86 64.18 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.952 0.501 . . . . 0.0 111.581 -177.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.505 ' HG ' HG21 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -52.22 -45.87 65.43 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.719 1.207 . . . . 0.0 111.172 166.192 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.98 -28.14 57.75 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.861 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -60.33 -51.96 67.31 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 119.59 1.087 . . . . 0.0 108.802 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -54.64 14.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.284 0.634 . . . . 0.0 111.761 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.25 -5.8 30.19 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -171.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -72.3 -52.34 16.69 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.151 0.581 . . . . 0.0 109.484 168.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 84.0 m -72.76 -55.75 6.27 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.814 1.246 . . . . 0.0 109.655 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.84 102.84 9.1 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 122.698 1.237 . . . . 0.0 108.13 -168.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.45 39.94 0.48 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.431 1.492 . . . . 0.0 110.37 -166.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -171.93 138.83 1.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.953 2.101 . . . . 0.0 105.774 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mt -117.31 102.04 8.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -65.14 -179.31 0.55 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.268 1.427 . . . . 0.0 111.851 174.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -51.4 16.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.275 1.43 . . . . 0.0 113.036 -172.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.7 m -57.45 -51.94 67.4 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.604 1.562 . . . . 0.0 110.396 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -72.99 -40.39 65.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.749 2.019 . . . . 0.0 108.876 -163.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -64.69 -23.04 67.12 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.097 -1.627 . . . . 0.0 111.769 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 t -85.25 -10.91 55.98 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 120.487 1.494 . . . . 0.0 112.395 173.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -68.73 -66.81 0.53 Allowed 'General case' 0 C--N 1.342 0.273 0 CA-C-N 120.741 1.61 . . . . 0.0 109.659 -170.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.505 HG21 ' HG ' ' A' ' 22' ' ' LEU . 4.7 mp -58.36 -45.92 89.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.81 -6.5 2.73 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.2 1.4 . . . . 0.0 114.522 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -136.16 14.35 3.29 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.959 1.254 . . . . 0.0 111.547 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.5 -46.43 5.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.79 1.236 . . . . 0.0 109.94 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 40' ' ' ILE . 1.1 mt -101.77 -88.16 0.39 Allowed 'General case' 0 C--N 1.349 0.586 0 CA-C-O 117.451 -1.261 . . . . 0.0 111.276 -169.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -159.92 -1.21 0.07 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.029 2.531 . . . . 0.0 114.736 -167.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.74 151.49 27.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.843 1.257 . . . . 0.0 110.377 -166.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.68 128.91 36.16 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.47 1.508 . . . . 0.0 109.933 170.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -48.48 -43.11 34.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.2 1.4 . . . . 0.0 112.013 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.0 t -47.81 -53.03 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.245 1.418 . . . . 0.0 110.232 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -36.53 82.71 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.277 1.831 . . . . 0.0 110.643 -176.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -70.87 -43.45 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.489 1.516 . . . . 0.0 110.24 -174.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -50.38 -40.49 49.76 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.366 -0.834 . . . . 0.0 110.886 175.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.2 mt -77.11 -22.45 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 124.299 1.04 . . . . 0.0 110.468 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.416 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 19.3 t90 -56.56 -40.94 76.03 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 120.687 1.585 . . . . 0.0 108.577 174.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -65.63 -34.39 78.11 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.591 -0.693 . . . . 0.0 111.653 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.358 3.2 pt20 -72.66 -16.42 61.7 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -111.82 -1.19 15.65 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HG3' ' CD2' ' A' ' 54' ' ' TRP . 12.9 mmm180 -101.13 4.51 42.16 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -106.25 -6.75 18.21 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 122.178 2.263 . . . . 0.0 113.581 -177.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.21 -16.78 22.26 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.951 1.25 . . . . 0.0 114.085 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -59.19 -56.07 26.89 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.055 1.298 . . . . 0.0 110.728 -170.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -59.18 -46.31 88.76 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -55.0 -49.67 70.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.988 1.315 . . . . 0.0 111.122 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.52 -53.86 13.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.922 1.237 . . . . 0.0 112.447 -172.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.2 mp -72.58 -39.92 61.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.974 0.91 . . . . 0.0 111.17 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -78.18 -20.17 52.48 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.168 -0.957 . . . . 0.0 112.726 -172.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.49 172.79 7.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 127.683 2.393 . . . . 0.0 109.133 174.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.24 92.16 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -176.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -74.81 161.44 29.59 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 117.558 0.679 . . . . 0.0 109.6 168.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.58 140.22 18.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.339 0.59 . . . . 0.0 109.641 168.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.247 0.969 0 C-N-CA 125.87 1.668 . . . . 0.0 107.391 168.796 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.84 85.36 61.02 Favored Pre-proline 0 C--O 1.236 0.345 0 C-N-CA 125.93 1.692 . . . . 0.0 108.572 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -67.67 170.35 14.07 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.408 1.405 . . . . 0.0 110.24 168.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.83 155.2 26.44 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -174.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.01 131.96 4.01 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 107.197 -2.361 . . . . 0.0 107.197 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -141.65 137.58 31.9 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -169.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 m -143.48 166.55 24.48 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -133.98 16.23 3.87 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.648 1.979 . . . . 0.0 111.39 171.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -75.47 119.51 19.65 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 126.062 1.745 . . . . 0.0 112.329 -174.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -64.26 92.33 0.08 Allowed 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.332 -0.855 . . . . 0.0 108.92 162.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -141.01 63.63 1.44 Allowed 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.076 0.95 . . . . 0.0 108.483 159.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -66.29 138.52 57.7 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 168.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.78 70.05 1.33 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 166.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -98.71 165.89 11.58 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.469 ' H ' ' HG3' ' A' ' 18' ' ' GLN . 1.3 p -120.95 172.27 8.04 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.433 1.493 . . . . 0.0 108.359 -177.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -60.91 -32.5 71.97 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 119.072 -0.49 . . . . 0.0 111.023 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.58 -19.38 63.67 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.617 1.167 . . . . 0.0 112.046 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' H ' ' A' ' 15' ' ' THR . 2.8 mt-30 -96.8 -43.03 7.69 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.169 1.388 . . . . 0.0 108.763 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 mt -67.67 -12.74 61.14 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 124.779 1.232 . . . . 0.0 112.618 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.14 -55.05 15.83 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 120.662 1.574 . . . . 0.0 108.177 -167.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -72.44 -26.87 62.0 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.12 0.968 . . . . 0.0 111.376 -174.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.3 tp -79.88 -33.15 40.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.653 2.381 . . . . 0.0 111.603 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.07 -26.3 43.05 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.945 -0.472 . . . . 0.0 109.94 167.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -73.75 -38.44 64.74 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.109 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.94 -51.46 67.58 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.362 0.983 . . . . 0.0 108.973 177.458 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -78.37 13.23 1.61 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.016 1.326 . . . . 0.0 112.375 -168.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.0 -5.37 13.79 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.645 1.111 . . . . 0.0 111.671 170.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.8 m -126.94 -0.66 6.59 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.25 132.64 26.75 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 119.557 1.072 . . . . 0.0 108.336 163.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -71.4 -11.71 61.03 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.567 165.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.93 100.78 4.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.355 0.98 . . . . 0.0 111.451 -164.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 32' ' ' LEU . 11.1 mt -69.18 113.58 6.66 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 168.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.2 t -159.25 -160.71 0.87 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 129.476 3.11 . . . . 0.0 104.955 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 52.52 40.1 29.17 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.389 1.876 . . . . 0.0 111.916 174.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.296 1.4 t 51.27 10.84 0.09 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.578 2.351 . . . . 0.0 115.001 -171.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HA ' ' HG3' ' A' ' 39' ' ' GLN . 2.7 mm-40 -65.69 -33.88 76.92 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 120.162 -1.587 . . . . 0.0 108.931 174.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -3.13 4.87 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.662 -0.685 . . . . 0.0 112.793 175.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.0 m -122.16 13.66 10.46 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.628 1.571 . . . . 0.0 108.959 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HG3' ' HA ' ' A' ' 36' ' ' GLU . 4.8 mm100 -79.0 -64.39 1.19 Allowed 'General case' 0 C--N 1.345 0.392 0 CA-C-N 119.198 0.908 . . . . 0.0 108.651 172.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -62.38 -35.58 70.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -163.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.06 -13.79 62.27 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -111.67 -15.11 13.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.761 1.164 . . . . 0.0 112.228 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.58 -17.99 13.6 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 117.648 -1.168 . . . . 0.0 111.472 -157.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -122.98 -86.06 0.65 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 119.155 0.889 . . . . 0.0 112.702 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 43.46 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 128.725 2.81 . . . . 0.0 109.494 -172.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 18' ' ' GLN . 5.8 mp -113.08 -169.43 1.48 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.315 1.046 . . . . 0.0 108.789 176.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -137.31 134.69 36.35 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.477 1.511 . . . . 0.0 110.287 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -39.84 95.84 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.065 0.946 . . . . 0.0 113.492 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.2 t -58.57 -45.14 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -35.84 71.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.397 0.679 . . . . 0.0 110.385 -174.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 51' ' ' VAL . 3.7 t -60.96 -37.77 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 121.158 -0.964 . . . . 0.0 110.74 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -54.69 -23.1 15.98 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.981 0.912 . . . . 0.0 111.201 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -109.96 -26.44 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.128 1.771 . . . . 0.0 111.151 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -54.69 -39.79 68.5 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.825 1.648 . . . . 0.0 109.669 173.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -52.35 -40.96 62.63 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.479 1.112 . . . . 0.0 112.708 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -55.32 -46.48 76.33 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.805 1.642 . . . . 0.0 110.01 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -66.11 -49.71 66.55 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 124.311 1.044 . . . . 0.0 110.302 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -61.85 -21.04 64.33 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.72 -177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -80.67 -1.48 42.63 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.948 -172.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.55 -58.62 2.74 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 120.347 1.43 . . . . 0.0 109.725 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -44.84 -72.79 0.05 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.863 1.265 . . . . 0.0 113.732 -158.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -66.87 -25.24 66.31 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 120.883 -1.136 . . . . 0.0 111.635 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -73.52 -28.37 61.85 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.819 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.7 mtt-85 -58.66 -43.19 89.78 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.747 1.612 . . . . 0.0 109.74 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.6 mt -68.54 -58.3 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.483 ' HE3' ' CG1' ' A' ' 70' ' ' VAL . 3.7 tmtp? -73.12 23.09 0.06 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.493 2.317 . . . . 0.0 112.195 -177.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.39 88.49 3.18 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.404 1.482 . . . . 0.0 109.115 -177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.07 -128.36 8.52 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-O 118.904 -0.942 . . . . 0.0 111.187 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -62.37 -179.36 0.23 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 122.144 0.974 . . . . 0.0 111.857 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.483 ' CG1' ' HE3' ' A' ' 66' ' ' LYS . 35.5 m -124.53 165.35 21.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 124.232 1.013 . . . . 0.0 108.794 172.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.08 1.352 . . . . 0.0 109.66 -176.429 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.467 0.391 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.48 157.63 71.29 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 119.052 0.842 . . . . 0.0 109.037 159.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -69.34 170.54 15.84 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.117 2.545 . . . . 0.0 110.424 169.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.11 -99.87 2.54 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 107.303 -2.319 . . . . 0.0 107.303 165.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.56 -113.18 0.44 Allowed Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.62 125.54 24.59 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.058 0.929 . . . . 0.0 109.004 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.8 p -142.0 173.12 11.8 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.127 0.421 . . . . 0.0 111.253 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.54 71.09 1.43 Allowed 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.149 0.98 . . . . 0.0 111.345 -162.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -132.33 153.55 50.62 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 121.33 -0.856 . . . . 0.0 111.167 171.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -62.39 76.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 128.255 2.622 . . . . 0.0 110.379 169.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.78 43.93 1.04 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.998 0.919 . . . . 0.0 109.321 178.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.84 150.45 13.06 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.246 -0.909 . . . . 0.0 108.783 166.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.73 5.34 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.359 1.863 . . . . 0.0 111.851 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -79.85 178.56 8.11 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.253 1.421 . . . . 0.0 110.261 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.5 p -141.82 169.19 18.05 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.924 1.29 . . . . 0.0 108.983 -169.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -59.92 -43.64 94.76 Favored 'General case' 0 C--O 1.23 0.035 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.06 -34.6 70.29 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.193 0.52 . . . . 0.0 111.242 -177.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -94.22 -9.47 36.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.96 1.304 . . . . 0.0 111.908 -172.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 HD23 ' A' ' 22' ' ' LEU . 44.1 mt -98.04 -8.27 28.17 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.175 1.39 . . . . 0.0 111.746 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.56 -53.69 31.88 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 124.317 1.047 . . . . 0.0 109.716 -163.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.5 -32.92 48.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.199 1.8 . . . . 0.0 109.149 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.4 HD23 HD23 ' A' ' 19' ' ' LEU . 37.9 tp -68.7 -51.09 45.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.534 1.934 . . . . 0.0 111.287 -173.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.85 -35.34 80.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 119.528 -0.273 . . . . 0.0 110.63 173.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.94 -48.82 78.69 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.606 0.762 . . . . 0.0 110.309 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.42 -43.26 96.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 124.065 0.946 . . . . 0.0 110.015 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -78.43 -5.81 53.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.075 -1.016 . . . . 0.0 112.147 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -67.67 -30.23 69.71 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.1 0.864 . . . . 0.0 109.9 169.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m -102.39 -6.54 22.9 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.87 0.868 . . . . 0.0 112.433 -171.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.604 ' HE3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -155.7 127.87 7.63 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 119.265 0.939 . . . . 0.0 111.478 -174.541 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -73.07 -6.74 47.64 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -170.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -144.08 166.25 25.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 119.823 1.192 . . . . 0.0 108.86 -167.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.604 HD12 ' HE3' ' A' ' 29' ' ' LYS . 5.5 tp -123.97 104.4 8.89 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -65.01 176.61 1.19 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 126.677 1.991 . . . . 0.0 111.858 175.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.43 -61.06 2.87 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.102 0.961 . . . . 0.0 109.083 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 t -44.95 -48.95 11.38 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.452 1.901 . . . . 0.0 111.189 169.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.19 -44.35 76.08 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.578 1.151 . . . . 0.0 110.009 -171.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -48.11 72.71 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.683 173.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -69.29 -23.24 63.8 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.234 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -67.49 -63.31 1.08 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 120.609 1.549 . . . . 0.0 107.553 -171.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.479 HG22 HD22 ' A' ' 46' ' ' LEU . 5.0 mp -64.07 -39.68 86.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.32 -21.61 65.4 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 117.474 -1.251 . . . . 0.0 113.396 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -123.35 23.21 9.11 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.988 1.267 . . . . 0.0 110.733 173.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.42 -54.98 3.77 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -114.63 -88.25 0.57 Allowed 'General case' 0 C--N 1.343 0.302 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.521 -160.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.1 13.67 0.38 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.386 1.875 . . . . 0.0 112.496 -170.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.479 HD22 HG22 ' A' ' 40' ' ' ILE . 6.7 mp -80.44 -175.71 5.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.765 1.626 . . . . 0.0 110.803 -170.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.4 t -129.75 134.66 47.74 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 169.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -48.74 -45.94 40.31 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.336 1.854 . . . . 0.0 111.614 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.7 t -63.68 -28.37 44.84 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 123.833 0.853 . . . . 0.0 110.824 -173.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.21 -39.91 28.17 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.619 1.099 . . . . 0.0 111.086 176.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.87 -38.34 78.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -2.78 2.21 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' HA ' ' CG ' ' A' ' 56' ' ' GLN . 4.5 mt -119.51 -21.88 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 119.788 1.176 . . . . 0.0 110.323 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.19 -26.17 64.58 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.713 -1.242 . . . . 0.0 112.464 -175.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -78.33 -47.99 16.56 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.359 -0.838 . . . . 0.0 111.761 170.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.462 ' CG ' ' HA ' ' A' ' 53' ' ' ILE . 1.8 pt20 -71.04 -35.01 71.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 120.608 -1.307 . . . . 0.0 111.748 -171.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -72.54 -15.48 61.77 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 117.621 -1.18 . . . . 0.0 113.118 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -80.82 -15.02 57.5 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 120.082 1.31 . . . . 0.0 112.147 -176.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -60.93 -23.96 65.67 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -161.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.01 -11.33 59.79 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 119.104 0.866 . . . . 0.0 113.306 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -51.3 -53.52 35.03 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 124.363 1.065 . . . . 0.0 111.431 -169.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -71.39 -35.82 71.19 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.066 0.546 . . . . 0.0 111.185 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -65.86 -25.01 67.0 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 120.887 -1.133 . . . . 0.0 112.047 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -9.8 1.75 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 120.435 1.471 . . . . 0.0 113.482 168.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.1 mt -123.83 -33.44 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.303 1.441 . . . . 0.0 109.151 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -90.35 49.01 1.62 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.794 2.038 . . . . 0.0 110.937 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.03 -162.17 1.45 Allowed 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.27 1.428 . . . . 0.0 110.066 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.43 18.1 48.01 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 126.258 1.885 . . . . 0.0 111.734 169.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -89.56 -177.48 5.32 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.643 1.221 . . . . 0.0 109.146 162.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 p -170.45 135.65 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 N-CA-C 102.67 -3.085 . . . . 0.0 102.67 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.254 1.308 0 C-N-CA 124.034 0.934 . . . . 0.0 110.618 -168.719 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 117.87 -1.062 . . . . 0.0 108.605 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.92 152.97 41.61 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 120.086 1.312 . . . . 0.0 111.134 -175.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -67.41 -176.24 0.83 Allowed 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.682 3.588 . . . . 0.0 111.337 172.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.49 154.9 26.0 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 162.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.07 154.29 15.59 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.295 1.426 . . . . 0.0 109.672 174.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -174.64 92.65 0.07 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.766 1.626 . . . . 0.0 111.86 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.9 m -140.24 82.37 1.86 Allowed 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.942 0.897 . . . . 0.0 111.009 166.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -148.91 146.41 27.87 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -66.65 138.27 57.31 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.214 1.37 . . . . 0.0 109.703 -175.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -132.33 109.22 9.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 125.299 1.44 . . . . 0.0 108.913 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -102.23 31.73 3.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.594 0.758 . . . . 0.0 110.547 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -139.35 160.87 38.83 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 120.873 -1.142 . . . . 0.0 108.422 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.98 12.15 1.92 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -117.2 -173.53 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.543 1.137 . . . . 0.0 110.328 -172.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.3 p -132.6 167.16 20.55 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.541 2.336 . . . . 0.0 107.008 -174.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -66.9 -36.96 83.46 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.656 1.116 . . . . 0.0 110.588 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.48 -45.08 92.67 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.101 1.76 . . . . 0.0 111.06 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.78 -21.56 62.48 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 120.744 -1.223 . . . . 0.0 112.789 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -83.42 -9.92 58.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.974 1.31 . . . . 0.0 111.306 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -54.6 6.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 120.892 1.678 . . . . 0.0 108.308 -162.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -57.88 -38.61 76.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.494 1.518 . . . . 0.0 109.518 172.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -50.74 72.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.457 1.503 . . . . 0.0 110.283 -176.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -76.36 -27.65 56.5 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 122.707 0.403 . . . . 0.0 112.079 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -59.79 -31.76 70.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.055 0.942 . . . . 0.0 111.606 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -8.36 56.07 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -89.36 -0.81 57.76 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.629 -1.294 . . . . 0.0 111.678 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -87.0 -47.36 9.01 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.296 0.953 . . . . 0.0 111.167 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 91.7 m -101.61 -8.01 22.21 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -164.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.54 108.96 2.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 125.655 1.582 . . . . 0.0 108.881 -176.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -76.39 35.72 0.15 Allowed 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.549 -0.72 . . . . 0.0 111.885 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -164.54 103.33 0.82 Allowed 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 120.368 -1.457 . . . . 0.0 108.187 -176.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.9 mt -70.29 117.86 12.38 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 163.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -131.89 -172.24 2.82 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 131.01 3.724 . . . . 0.0 106.331 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 34' ' ' LEU . 1.7 tm? 49.84 38.09 15.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.572 1.149 . . . . 0.0 112.404 164.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t 48.96 21.88 0.51 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.08 1.352 . . . . 0.0 113.47 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.73 -31.49 71.66 Favored 'General case' 0 CA--C 1.516 -0.358 0 O-C-N 119.758 -1.839 . . . . 0.0 109.091 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -57.65 -34.58 69.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.891 175.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 m -87.93 -6.17 58.18 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 124.851 1.261 . . . . 0.0 110.536 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.65 -51.88 44.75 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 172.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.552 HG23 HD12 ' A' ' 44' ' ' LEU . 3.5 mp -54.15 -42.3 55.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 119.033 0.833 . . . . 0.0 109.734 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.01 -30.02 65.75 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.023 0.929 . . . . 0.0 113.329 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -100.46 -34.94 9.73 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.693 1.133 . . . . 0.0 111.188 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.37 25.53 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -161.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.552 HD12 HG23 ' A' ' 40' ' ' ILE . 11.8 mt -99.69 -88.34 0.34 Allowed 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.81 -169.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -159.46 4.72 0.09 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.378 1.871 . . . . 0.0 112.527 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 46' ' ' LEU . 5.8 mp -94.93 -174.48 3.27 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -163.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -138.64 146.27 41.48 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 174.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -61.86 -34.52 76.15 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 123.573 0.749 . . . . 0.0 111.294 -175.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.6 t -54.94 -45.49 76.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 C-N-CA 124.213 1.005 . . . . 0.0 110.329 172.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -40.89 63.5 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 117.962 0.346 . . . . 0.0 110.115 -175.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.43 -33.71 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.855 0.862 . . . . 0.0 110.276 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -44.65 -45.18 9.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.63 1.572 . . . . 0.0 113.792 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -85.3 -22.12 7.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 O-C-N 121.353 -0.842 . . . . 0.0 110.209 -166.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -58.05 -36.25 72.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.212 -0.93 . . . . 0.0 109.689 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -73.1 -36.14 66.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.311 -0.852 . . . . 0.0 112.101 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -54.16 -39.83 66.91 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 120.213 1.37 . . . . 0.0 110.623 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -67.6 0.29 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.299 1.04 . . . . 0.0 109.277 170.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.0 mmt-85 -71.02 28.61 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.955 1.702 . . . . 0.0 113.773 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -123.46 10.18 9.14 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 124.565 1.146 . . . . 0.0 112.357 172.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.02 -41.64 12.22 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.274 1.397 . . . . 0.0 112.969 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -48.46 -48.75 37.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -164.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -83.45 -40.01 19.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.704 0.802 . . . . 0.0 109.974 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -31.47 68.15 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 117.918 -1.039 . . . . 0.0 111.395 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -71.15 0.08 Allowed 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 124.691 1.196 . . . . 0.0 110.004 171.442 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.21 -37.48 79.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 122.862 0.465 . . . . 0.0 109.764 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.08 16.64 6.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 117.9 -1.047 . . . . 0.0 112.255 -174.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.12 114.94 0.88 Allowed 'General case' 0 C--N 1.34 0.158 0 C-N-CA 126.1 1.76 . . . . 0.0 109.666 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.6 117.18 6.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 124.658 1.123 . . . . 0.0 110.402 -171.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -137.3 72.99 1.43 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 117.66 0.73 . . . . 0.0 109.092 173.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.4 t -128.83 123.77 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 170.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 114.691 -2.576 . . . . 0.0 107.302 -167.51 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.343 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.07 152.49 93.68 Favored Pre-proline 0 C--O 1.238 0.489 0 C-N-CA 122.805 0.442 . . . . 0.0 111.342 -171.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -68.25 124.14 11.37 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.671 2.247 . . . . 0.0 109.535 170.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.76 72.58 0.46 Allowed Glycine 0 C--N 1.333 0.414 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.05 139.21 14.49 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 107.6 17.43 Favored 'General case' 0 N--CA 1.461 0.105 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -167.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.5 t -152.82 172.27 16.98 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.815 0.734 . . . . 0.0 110.482 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -73.0 29.8 0.06 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.332 1.853 . . . . 0.0 113.654 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.45 112.42 1.41 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.541 0.736 . . . . 0.0 109.957 -174.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -72.65 51.59 0.27 Allowed 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.761 0.824 . . . . 0.0 111.813 165.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -81.18 73.59 8.22 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 167.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.51 175.24 2.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 122.398 0.279 . . . . 0.0 110.51 165.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.29 39.86 1.11 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.416 1.486 . . . . 0.0 110.983 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -125.98 -165.29 1.41 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.379 1.472 . . . . 0.0 108.899 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.85 162.68 37.16 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 127.321 2.249 . . . . 0.0 106.281 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -51.72 -33.72 35.74 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 163.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.57 -10.0 53.04 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.359 -0.838 . . . . 0.0 113.115 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -129.44 2.3 5.07 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.483 1.513 . . . . 0.0 112.016 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 mp -95.77 -3.46 45.73 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 126.502 1.921 . . . . 0.0 111.725 170.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -52.84 63.51 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 119.285 0.948 . . . . 0.0 109.283 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.32 -36.9 66.3 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.024 0.93 . . . . 0.0 109.473 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.67 -38.49 70.64 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.898 1.279 . . . . 0.0 110.918 -168.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -80.85 -28.56 36.03 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 118.028 -0.987 . . . . 0.0 111.596 172.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -57.36 -51.34 69.79 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.606 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.07 1.35 0.46 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.958 2.103 . . . . 0.0 114.708 174.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.46 16.47 15.62 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.068 1.347 . . . . 0.0 111.261 173.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -98.85 -41.89 7.42 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.36 0.664 . . . . 0.0 111.66 175.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.3 m -76.49 -26.68 55.56 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.6 1.16 . . . . 0.0 112.593 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.56 171.37 18.24 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.256 1.022 . . . . 0.0 109.3 -164.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -121.54 3.77 10.17 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -163.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -152.57 98.89 2.41 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.774 1.23 . . . . 0.0 107.681 -164.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.05 126.11 28.73 Favored 'General case' 0 C--O 1.238 0.466 0 O-C-N 120.303 -1.498 . . . . 0.0 108.12 174.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.58 -177.34 4.77 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.104 0.962 . . . . 0.0 111.755 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.09 -55.59 33.02 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 126.598 1.959 . . . . 0.0 111.872 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 m -74.77 -38.93 62.04 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.63 -41.65 97.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.917 1.287 . . . . 0.0 109.075 -167.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -71.63 -19.91 62.05 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -80.11 -20.18 45.62 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.267 -0.873 . . . . 0.0 108.834 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -70.09 -43.75 70.45 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 119.03 -1.068 . . . . 0.0 110.387 -163.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.25 -34.87 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.93 -9.7 58.31 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.621 -0.704 . . . . 0.0 112.774 176.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -104.88 -5.32 21.21 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.758 1.223 . . . . 0.0 111.552 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.81 -56.22 2.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.739 1.216 . . . . 0.0 109.095 -171.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -96.93 -89.4 0.27 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 118.496 -1.281 . . . . 0.0 109.172 -162.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.65 15.46 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 131.107 3.763 . . . . 0.0 111.285 -174.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.6 174.76 9.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.029 1.332 . . . . 0.0 109.648 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.3 t -135.83 132.87 37.2 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.473 1.509 . . . . 0.0 110.166 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -57.21 -34.59 68.69 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.114 1.325 . . . . 0.0 114.103 -174.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -54.43 -36.31 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 119.238 0.926 . . . . 0.0 112.393 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -38.51 28.12 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.462 0.573 . . . . 0.0 111.889 173.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.5 t -57.13 -45.57 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -53.67 -21.94 7.92 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.8 mt -97.97 -21.51 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 119.757 1.162 . . . . 0.0 110.554 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -57.06 -32.63 66.42 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 120.721 -1.237 . . . . 0.0 110.129 173.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -63.07 -47.83 81.27 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.516 0.726 . . . . 0.0 110.737 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -31.74 62.65 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 118.667 0.667 . . . . 0.0 111.785 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.05 -54.68 30.39 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -4.37 14.71 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -81.06 -8.01 59.68 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.651 1.569 . . . . 0.0 113.488 -173.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.97 -15.5 20.08 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.588 -0.72 . . . . 0.0 112.416 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -45.66 -63.85 0.87 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.273 1.429 . . . . 0.0 112.015 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -63.07 -30.68 71.79 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.341 -171.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.22 -51.42 57.83 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 125.149 1.38 . . . . 0.0 111.555 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -65.99 -27.08 67.87 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 120.515 1.507 . . . . 0.0 112.495 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.7 mt -74.85 -51.98 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 173.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -81.12 47.07 0.97 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.937 1.295 . . . . 0.0 109.69 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.84 144.73 49.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 126.213 1.805 . . . . 0.0 107.951 172.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.93 95.02 1.79 Allowed Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 107.996 -2.042 . . . . 0.0 107.996 171.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -152.9 -173.66 4.65 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 171.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.07 172.86 15.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 C-N-CA 124.659 1.183 . . . . 0.0 110.354 -168.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.249 1.079 0 CA-C-O 116.611 -1.661 . . . . 0.0 109.408 -155.59 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t . . . . . 0 C--O 1.233 0.226 0 CA-C-O 121.379 0.609 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.88 30.78 7.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.455 2.702 . . . . 0.0 111.087 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -93.03 167.47 11.77 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 167.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.08 162.47 23.45 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 129.282 3.033 . . . . 0.0 106.899 -172.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 p -57.23 -25.47 59.16 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.261 0.482 . . . . 0.0 111.142 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -79.44 -42.75 24.7 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.833 0.825 . . . . 0.0 108.869 -166.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -76.98 -26.29 53.75 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.62 1.968 . . . . 0.0 110.852 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -15.86 61.18 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 117.232 -1.366 . . . . 0.0 112.411 177.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.68 -52.51 64.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -167.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.16 -37.67 86.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.706 2.402 . . . . 0.0 110.977 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.451 HD22 ' CZ3' ' A' ' 54' ' ' TRP . 0.5 OUTLIER -66.76 -26.43 66.97 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 128.411 2.685 . . . . 0.0 111.827 -177.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -96.35 -34.78 11.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 125.549 1.539 . . . . 0.0 110.297 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -55.79 -35.55 66.41 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 125.767 1.627 . . . . 0.0 110.536 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.85 -26.98 66.27 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.823 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.57 -20.73 65.89 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.521 1.51 . . . . 0.0 112.311 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -84.85 -19.29 32.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 118.538 -0.744 . . . . 0.0 110.767 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -81.67 -48.55 11.55 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.38 0.991 . . . . 0.0 109.883 172.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.63 158.63 41.42 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.769 1.228 . . . . 0.0 109.232 -166.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 4.47 49.24 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.645 1.111 . . . . 0.0 112.231 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -153.43 147.62 25.73 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 119.662 -1.899 . . . . 0.0 108.775 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.722 HD13 ' HD2' ' A' ' 37' ' ' ARG . 7.1 mt -130.09 98.11 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -172.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.86 171.74 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.832 1.653 . . . . 0.0 111.015 173.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.28 -46.09 91.04 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.923 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 m -61.44 -34.15 74.92 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.55 1.14 . . . . 0.0 111.665 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -79.49 -43.96 22.18 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -174.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.722 ' HD2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.19 -35.26 74.98 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 120.775 -1.203 . . . . 0.0 110.647 178.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.3 p -74.57 -10.45 59.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 117.348 -1.31 . . . . 0.0 111.992 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -67.78 -70.16 0.27 Allowed 'General case' 0 C--N 1.345 0.372 0 CA-C-N 120.458 1.481 . . . . 0.0 109.013 174.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mt -54.15 -42.43 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 119.887 1.222 . . . . 0.0 111.271 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.06 -36.29 67.9 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.863 0.756 . . . . 0.0 111.541 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -94.9 -3.51 48.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.44 1.896 . . . . 0.0 111.214 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.45 -27.8 27.27 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 120.216 -1.553 . . . . 0.0 109.038 -173.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.37 -88.45 0.62 Allowed 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.004 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.96 10.92 0.14 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.965 1.706 . . . . 0.0 111.497 -172.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -85.78 175.0 8.94 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.52 -1.363 . . . . 0.0 110.517 -162.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.61 116.43 26.6 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.586 1.555 . . . . 0.0 107.638 -173.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -56.56 -24.19 45.46 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.099 0.863 . . . . 0.0 112.259 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.0 t -57.67 -53.83 39.43 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 O-C-N 121.178 -0.951 . . . . 0.0 109.466 170.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.43 78.56 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.866 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.443 HG11 ' NE ' ' A' ' 37' ' ' ARG . 85.5 t -54.16 -38.71 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 119.014 0.825 . . . . 0.0 109.886 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -49.88 -49.93 47.66 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.607 1.163 . . . . 0.0 111.166 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.26 -21.75 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 124.275 1.03 . . . . 0.0 110.796 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CZ3' HD22 ' A' ' 22' ' ' LEU . 17.4 t90 -58.4 -38.89 78.3 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.51 -1.368 . . . . 0.0 109.186 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -64.36 -21.33 66.59 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -12.06 41.97 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 120.205 1.366 . . . . 0.0 111.342 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -91.86 -17.89 24.61 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.418 1.087 . . . . 0.0 112.478 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.565 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -167.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.406 ' HA ' HE22 ' A' ' 50' ' ' GLN . 5.5 m . . . . . 0 C--O 1.232 0.141 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.58 101.24 2.93 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.499 1.919 . . . . 0.0 106.541 166.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -129.24 -164.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 126.841 2.056 . . . . 0.0 108.005 169.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.3 p -140.47 157.49 45.43 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.957 2.103 . . . . 0.0 106.083 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -29.43 68.6 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.578 1.536 . . . . 0.0 111.792 174.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -23.62 51.15 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.301 1.84 . . . . 0.0 112.465 172.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -117.65 0.25 12.01 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.968 1.707 . . . . 0.0 111.279 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.8 mt -101.08 -4.13 27.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.892 1.277 . . . . 0.0 110.545 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.54 -59.66 2.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 122.517 1.151 . . . . 0.0 109.521 -163.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -69.53 -37.22 77.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 126.911 2.084 . . . . 0.0 109.478 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.1 -36.86 84.99 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 126.211 1.805 . . . . 0.0 110.749 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -82.14 -30.1 31.28 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.435 172.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -57.05 -43.83 82.37 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -33.94 70.32 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.316 1.847 . . . . 0.0 112.908 176.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.17 4.67 33.42 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 118.692 0.678 . . . . 0.0 112.757 -171.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -105.97 -58.64 1.88 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.821 0.848 . . . . 0.0 109.885 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.6 m -67.69 -20.3 65.27 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.094 1.357 . . . . 0.0 112.927 -174.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.34 125.27 9.87 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -170.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.93 8.13 33.83 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.613 0.765 . . . . 0.0 112.694 -161.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -149.48 141.21 23.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 tp -101.31 108.28 19.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m -79.32 176.22 9.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -42.28 89.02 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.588 -0.695 . . . . 0.0 112.013 -167.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 t -64.65 -41.59 96.02 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.609 0.64 . . . . 0.0 110.137 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -70.74 -42.17 70.87 Favored 'General case' 0 CA--C 1.521 -0.167 0 O-C-N 121.114 -0.991 . . . . 0.0 109.257 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.87 -32.04 73.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 122.126 -0.359 . . . . 0.0 111.319 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -80.23 -18.41 49.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.301 -1.333 . . . . 0.0 112.577 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.34 -59.7 4.93 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.015 1.279 . . . . 0.0 109.91 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mp -50.92 -37.06 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 C-N-CA 123.301 0.64 . . . . 0.0 111.787 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.18 -22.21 62.66 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.652 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -131.62 -7.15 3.66 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.806 1.185 . . . . 0.0 113.819 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.03 -32.01 27.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 mt -110.29 -89.15 0.49 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.837 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.35 1.79 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.387 1.875 . . . . 0.0 113.606 -165.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.72 -173.39 4.62 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -169.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 t -144.43 152.34 40.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.025 -1.047 . . . . 0.0 108.86 173.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.78 -36.85 84.46 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -161.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.12 -42.83 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 120.381 1.446 . . . . 0.0 109.276 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.406 HE22 ' HA ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -57.29 -40.68 78.31 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.027 0.531 . . . . 0.0 110.18 178.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -69.22 -48.32 69.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 126.196 1.798 . . . . 0.0 108.47 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -46.22 -42.91 14.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.431 1.492 . . . . 0.0 112.973 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 mt -79.84 -21.55 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.587 -0.696 . . . . 0.0 111.474 -176.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -62.6 -30.33 71.26 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 120.164 -1.585 . . . . 0.0 110.097 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -62.07 -35.14 77.75 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.587 0.755 . . . . 0.0 112.201 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -37.43 74.1 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.74 1.216 . . . . 0.0 110.173 174.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -78.48 -46.59 19.31 Favored 'General case' 0 C--O 1.23 0.056 0 O-C-N 121.721 -0.612 . . . . 0.0 110.16 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.234 0.275 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.42 14.58 20.34 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 124.487 1.115 . . . . 0.0 111.912 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -84.45 175.41 9.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.677 0.751 . . . . 0.0 109.094 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.503 ' H ' ' HB2' ' A' ' 18' ' ' GLN . 60.4 p -136.7 168.57 19.26 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.818 2.047 . . . . 0.0 108.398 -171.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -40.2 63.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.909 0.883 . . . . 0.0 111.345 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.45 -37.67 68.49 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.826 0.739 . . . . 0.0 111.13 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.503 ' HB2' ' H ' ' A' ' 15' ' ' THR . 38.6 mt-30 -70.6 0.69 6.35 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.334 -0.854 . . . . 0.0 112.535 -176.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD23 HD23 ' A' ' 22' ' ' LEU . 24.0 mt -113.56 0.06 14.53 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.896 1.678 . . . . 0.0 111.99 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.69 -27.24 63.85 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.592 1.157 . . . . 0.0 112.706 -168.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -106.43 -26.2 11.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.604 1.562 . . . . 0.0 109.693 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 HD23 ' A' ' 19' ' ' LEU . 23.0 tp -69.27 -55.37 10.71 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 126.553 1.941 . . . . 0.0 108.511 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.95 -37.04 85.48 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.715 0.689 . . . . 0.0 111.017 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.18 -58.24 9.06 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 125.673 1.589 . . . . 0.0 110.541 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.67 -42.25 99.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.0 -10.96 44.44 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -175.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.06 -49.11 75.84 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.238 0.926 . . . . 0.0 110.2 169.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.9 m -73.98 -24.17 59.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.566 1.147 . . . . 0.0 112.029 -174.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 117.33 6.96 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 124.303 1.041 . . . . 0.0 110.086 -166.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -71.15 3.62 3.39 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -155.11 171.74 19.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 120.468 1.485 . . . . 0.0 108.51 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -113.09 112.97 24.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.012 1.725 . . . . 0.0 108.543 -174.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 m -72.19 40.96 0.08 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.506 1.922 . . . . 0.0 113.27 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.28 -67.02 0.18 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 127.856 2.462 . . . . 0.0 114.564 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -55.61 -32.66 63.31 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.161 1.346 . . . . 0.0 109.932 171.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -62.34 -27.21 68.9 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.349 1.459 . . . . 0.0 110.176 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -68.46 -40.61 81.0 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.8 -0.563 . . . . 0.0 111.672 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -20.29 65.98 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.36 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -63.08 -61.13 2.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 118.685 0.675 . . . . 0.0 109.923 -171.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 44' ' ' LEU . 3.9 mp -63.36 -40.22 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.62 -16.71 63.98 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -108.95 -7.07 15.47 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.414 1.085 . . . . 0.0 112.102 172.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.06 -37.24 12.27 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 121.182 1.81 . . . . 0.0 110.313 -171.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.408 HD12 HG23 ' A' ' 40' ' ' ILE . 60.3 mt -108.02 -85.72 0.52 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -163.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 174.94 28.89 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.317 3.047 . . . . 0.0 110.818 -173.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -94.68 -179.05 4.74 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.7 m -127.46 134.43 49.84 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 124.658 1.183 . . . . 0.0 108.802 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -50.18 -48.24 54.2 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.427 1.091 . . . . 0.0 112.073 -172.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.68 -40.72 83.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 123.661 0.784 . . . . 0.0 110.574 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -40.36 91.72 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.77 -0.581 . . . . 0.0 110.261 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.4 t -63.88 -38.96 83.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -57.21 -7.6 0.57 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.598 1.959 . . . . 0.0 113.307 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.0 mt -116.81 -29.72 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 119.407 1.003 . . . . 0.0 110.939 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -55.38 -43.34 75.07 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 120.015 1.279 . . . . 0.0 110.118 -174.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -81.47 -28.64 34.03 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 121.578 -0.049 . . . . 0.0 111.016 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.6 -38.38 71.96 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.125 1.37 . . . . 0.0 110.221 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -69.25 -4.73 19.0 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.864 1.265 . . . . 0.0 112.909 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 . . . . . 0 CA--C 1.533 0.308 0 C-N-CA 125.889 1.676 . . . . 0.0 109.881 176.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.236 0.375 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.2 57.81 3.52 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.501 1.12 . . . . 0.0 109.128 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -131.66 160.33 35.71 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.635 0.774 . . . . 0.0 109.674 165.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.0 p -107.94 165.3 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.363 1.465 . . . . 0.0 110.046 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.48 -16.41 63.88 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -85.47 -43.79 13.28 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.698 1.199 . . . . 0.0 110.263 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -66.08 -29.63 70.0 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.811 -0.555 . . . . 0.0 111.374 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 mt -78.69 -17.13 56.4 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.831 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.46 -46.42 76.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 119.023 0.828 . . . . 0.0 109.408 -165.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -66.41 -42.9 87.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.792 2.037 . . . . 0.0 110.555 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.32 -44.94 92.52 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.579 1.151 . . . . 0.0 110.569 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -73.96 -33.17 63.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.484 0.713 . . . . 0.0 111.813 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -64.92 -61.11 2.37 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 124.794 1.238 . . . . 0.0 109.006 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.13 -14.67 26.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 117.474 -1.25 . . . . 0.0 111.903 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -21.06 65.94 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 122.262 2.301 . . . . 0.0 112.278 171.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -66.58 -36.05 81.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.266 1.026 . . . . 0.0 110.738 169.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.8 -32.77 25.16 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.534 0.733 . . . . 0.0 111.738 -173.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.532 ' HE3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -166.1 155.52 11.78 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.099 1.36 . . . . 0.0 109.139 -161.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 6.16 11.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -159.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.445 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 8.8 p90 -132.94 -163.86 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 127.284 2.234 . . . . 0.0 106.916 -174.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.532 HD12 ' HE3' ' A' ' 29' ' ' LYS . 1.7 tp -153.8 94.78 1.8 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 105.715 -1.958 . . . . 0.0 105.715 163.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -156.16 178.87 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 125.017 1.327 . . . . 0.0 109.994 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mp 58.39 -86.29 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 129.374 3.07 . . . . 0.0 111.402 -175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -97.2 -15.11 21.03 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.958 0.799 . . . . 0.0 109.279 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -97.67 -35.94 10.42 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 118.41 -0.805 . . . . 0.0 113.076 -155.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -58.66 -48.51 80.81 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 p -74.89 3.27 8.49 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.391 1.077 . . . . 0.0 112.784 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -78.23 -84.43 0.08 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 164.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mp -59.59 -38.04 73.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 118.66 0.663 . . . . 0.0 109.943 -171.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.86 -24.32 66.84 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 117.578 -1.201 . . . . 0.0 112.252 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -113.31 10.79 18.49 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.866 1.212 . . . . 0.0 110.796 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.87 -46.61 6.17 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 119.262 0.937 . . . . 0.0 108.957 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -117.96 -88.93 0.6 Allowed 'General case' 0 C--N 1.344 0.362 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.532 -166.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.497 ' H ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -158.45 39.43 0.24 Allowed 'General case' 0 C--O 1.239 0.537 0 C-N-CA 126.124 1.769 . . . . 0.0 110.717 -172.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 45' ' ' LYS . 6.2 mp -106.47 177.01 4.98 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.257 1.023 . . . . 0.0 109.017 -177.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -142.22 133.08 25.71 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.247 1.419 . . . . 0.0 107.243 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -52.42 -36.35 54.15 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.788 0.835 . . . . 0.0 112.4 -173.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.97 -48.44 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.309 0.643 . . . . 0.0 110.076 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -39.56 91.69 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.615 0.643 . . . . 0.0 110.332 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.32 -33.07 58.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.077 1.351 . . . . 0.0 109.709 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -56.88 -44.1 81.94 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.093 -1.004 . . . . 0.0 110.953 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.4 mp -73.63 -22.36 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 118.38 0.536 . . . . 0.0 110.298 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -63.9 -34.22 77.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.322 -1.486 . . . . 0.0 110.074 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -60.71 -47.55 85.76 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.059 172.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -45.28 61.42 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.965 1.706 . . . . 0.0 109.992 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -63.53 -37.46 87.39 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.265 -0.897 . . . . 0.0 110.628 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 . . . . . 0 CA--C 1.541 0.605 0 C-N-CA 123.914 0.885 . . . . 0.0 112.981 176.262 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.0 m . . . . . 0 C--O 1.237 0.439 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.16 55.91 0.67 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.146 1.378 . . . . 0.0 110.121 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -126.67 175.05 8.25 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.562 1.545 . . . . 0.0 108.506 167.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.3 p -111.28 172.44 6.88 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.966 1.306 . . . . 0.0 109.578 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -34.12 67.79 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.866 -1.146 . . . . 0.0 111.823 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.45 -47.46 73.07 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.351 1.06 . . . . 0.0 110.606 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.428 ' HA ' HD13 ' A' ' 44' ' ' LEU . 33.3 mt-30 -58.51 -33.1 69.47 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.121 0.486 . . . . 0.0 110.454 -178.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mp -71.08 19.92 0.05 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.784 2.033 . . . . 0.0 113.131 172.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.31 -61.47 1.93 Allowed 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 120.284 1.402 . . . . 0.0 108.804 162.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.35 -37.81 80.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 122.244 1.021 . . . . 0.0 109.072 -171.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.64 -25.17 67.24 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.925 1.29 . . . . 0.0 111.552 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -89.94 -30.35 17.89 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.053 0.941 . . . . 0.0 111.744 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -62.74 -53.32 56.23 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.0 0.63 3.34 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.328 1.451 . . . . 0.0 113.308 -177.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.96 -2.6 13.52 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.07 1.348 . . . . 0.0 112.634 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -98.07 -49.66 4.67 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.917 0.887 . . . . 0.0 109.759 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.3 m -71.38 -21.31 62.03 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.48 0.657 . . . . 0.0 110.257 -172.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.42 162.98 40.72 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 126.549 1.94 . . . . 0.0 108.76 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.41 13.94 13.65 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.125 0.57 . . . . 0.0 111.822 -176.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -153.41 112.41 3.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.792 -1.193 . . . . 0.0 108.016 -172.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -79.96 103.65 10.0 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 121.219 -0.925 . . . . 0.0 108.566 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.4 m -76.94 91.88 3.63 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.564 0.746 . . . . 0.0 109.379 172.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 44.64 -76.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 129.566 3.146 . . . . 0.0 115.985 170.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -50.26 -39.14 44.14 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.73 1.15 . . . . 0.0 110.617 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.06 -26.18 67.38 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.142 -0.973 . . . . 0.0 108.833 -175.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -72.43 -56.79 4.86 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.768 -1.207 . . . . 0.0 109.468 172.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.7 m -62.07 -18.48 60.82 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -65.01 -68.44 0.36 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.715 1.606 . . . . 0.0 109.36 -171.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mp -61.17 -30.71 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.78 -1.81 4.31 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.135 1.374 . . . . 0.0 114.485 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -129.63 -10.41 4.5 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 120.745 1.612 . . . . 0.0 112.559 163.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.47 -31.65 42.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -172.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 18' ' ' GLN . 12.5 mt -109.11 -88.37 0.49 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 117.909 -1.043 . . . . 0.0 113.063 -168.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.78 41.29 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 1 C-N-CA 133.573 4.749 . . . . 0.0 107.976 -170.51 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.414 ' CD1' HE21 ' A' ' 18' ' ' GLN . 6.2 mp -119.26 166.99 12.3 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 119.766 -1.834 . . . . 0.0 109.07 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -133.42 140.33 47.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -54.31 -40.32 67.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.509 1.123 . . . . 0.0 111.498 -175.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 p -54.94 -39.63 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 C-N-CA 124.616 1.166 . . . . 0.0 111.851 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -38.39 40.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.469 0.577 . . . . 0.0 109.995 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.62 -39.16 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 123.828 0.851 . . . . 0.0 110.784 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -59.17 -26.61 64.93 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.74 1.154 . . . . 0.0 112.344 -177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.7 mt -85.05 -21.62 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.307 1.043 . . . . 0.0 110.289 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -59.32 -39.91 84.6 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 120.492 -1.38 . . . . 0.0 109.233 172.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -66.23 -37.5 85.68 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 119.572 -0.251 . . . . 0.0 110.856 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -40.67 63.91 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.231 1.012 . . . . 0.0 110.225 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -74.33 -52.81 11.14 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.029 0.932 . . . . 0.0 110.566 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 . . . . . 0 N--CA 1.47 0.542 0 O-C-N 121.037 -1.039 . . . . 0.0 113.496 -172.696 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.0 m . . . . . 0 C--O 1.234 0.264 0 CA-C-O 121.266 0.555 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.73 92.77 3.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.371 1.868 . . . . 0.0 106.539 169.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -124.08 -172.05 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 166.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.51 152.38 41.41 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.533 1.133 . . . . 0.0 109.017 -172.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -54.58 -4.35 0.06 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 128.312 2.645 . . . . 0.0 114.57 166.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -94.61 -24.84 17.03 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 168.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -100.81 -21.66 15.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 125.878 1.671 . . . . 0.0 111.407 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.6 mt -69.91 -16.94 63.3 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 116.727 -1.606 . . . . 0.0 112.669 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.0 -48.51 79.8 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 120.866 1.666 . . . . 0.0 110.598 -173.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -73.02 -29.49 63.05 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.853 1.261 . . . . 0.0 110.113 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.72 -57.16 8.7 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.924 1.29 . . . . 0.0 108.846 175.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -67.98 -23.8 65.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.591 1.556 . . . . 0.0 112.078 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.69 -58.14 7.09 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.77 -40.38 97.11 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.01 -18.4 60.41 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.282 -0.866 . . . . 0.0 113.133 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -73.44 -27.32 61.36 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 120.15 1.341 . . . . 0.0 111.521 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 m -110.94 -19.98 12.6 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.466 1.106 . . . . 0.0 111.05 -166.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HD3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -147.48 136.67 22.39 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 121.457 -0.777 . . . . 0.0 109.077 171.256 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.19 -9.93 59.69 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.764 0.826 . . . . 0.0 111.912 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -146.59 120.81 9.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.506 1.522 . . . . 0.0 108.319 -174.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.477 HD23 ' HD3' ' A' ' 29' ' ' LYS . 65.9 mt -84.35 117.19 23.44 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 126.422 1.889 . . . . 0.0 108.642 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 m -87.37 59.63 5.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.742 0.782 . . . . 0.0 112.458 -170.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tt 72.89 -56.0 0.67 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 128.635 2.774 . . . . 0.0 111.325 173.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -60.88 -40.57 93.53 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 126.177 1.791 . . . . 0.0 111.53 177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -80.62 -27.26 37.35 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.242 1.417 . . . . 0.0 109.1 -171.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -35.65 81.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.567 -0.708 . . . . 0.0 109.736 167.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -85.13 22.1 1.52 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.775 1.23 . . . . 0.0 110.978 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -88.55 -80.29 0.29 Allowed 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 161.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.507 HD12 ' H ' ' A' ' 40' ' ' ILE . 3.7 mp -53.5 -44.91 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.815 0.846 . . . . 0.0 111.185 -167.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.12 -14.39 36.35 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -125.99 16.87 7.92 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.188 0.904 . . . . 0.0 110.98 175.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.0 -38.73 3.02 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.199 1.0 . . . . 0.0 112.035 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.7 mt -111.83 -89.73 0.51 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.475 1.034 . . . . 0.0 111.661 -174.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.96 31.59 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.703 2.401 . . . . 0.0 109.105 -166.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.01 138.19 51.44 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.8 m -86.46 140.69 29.72 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.524 -0.274 . . . . 0.0 111.653 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -44.11 -53.01 6.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.042 2.537 . . . . 0.0 111.532 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.5 -44.92 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 126.137 1.775 . . . . 0.0 110.641 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -45.96 69.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 122.957 0.503 . . . . 0.0 110.169 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.9 t -57.76 -34.65 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 124.039 0.935 . . . . 0.0 109.918 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -53.44 -39.43 64.42 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.019 -1.051 . . . . 0.0 111.041 174.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -79.1 -32.37 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 CA-C-O 116.91 -1.519 . . . . 0.0 111.266 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 24.0 t90 -51.33 -43.99 61.88 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 121.364 1.893 . . . . 0.0 108.899 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -65.98 -14.95 62.52 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -34.97 79.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 122.531 2.423 . . . . 0.0 110.043 169.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -76.6 -33.75 58.42 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.535 -0.728 . . . . 0.0 111.095 -167.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -166.738 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.409 HG21 ' CD2' ' A' ' 14' ' ' PHE . 8.8 t . . . . . 0 CA--C 1.539 0.525 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.16 38.64 1.93 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 127.167 2.187 . . . . 0.0 108.338 169.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.409 ' CD2' HG21 ' A' ' 12' ' ' THR . 26.8 m-85 -68.56 162.16 26.39 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.144 0.497 . . . . 0.0 109.898 168.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 p -96.59 147.71 23.6 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.123 1.769 . . . . 0.0 107.482 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 t -56.78 -37.15 70.71 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 125.21 1.404 . . . . 0.0 110.38 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.41 -41.34 84.76 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.635 1.174 . . . . 0.0 111.51 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HA ' HD13 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -86.3 -13.88 45.34 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.78 -0.575 . . . . 0.0 111.164 -167.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -70.85 -17.52 62.73 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.744 1.217 . . . . 0.0 113.059 171.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.88 -48.33 71.89 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 120.323 1.42 . . . . 0.0 110.582 -173.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.55 -37.06 79.61 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.177 1.391 . . . . 0.0 110.757 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.2 -54.14 50.36 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.626 1.17 . . . . 0.0 108.823 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.01 -40.3 94.7 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.249 0.62 . . . . 0.0 111.554 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -51.49 -44.65 62.55 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 124.926 1.291 . . . . 0.0 111.063 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.93 -49.36 25.05 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.815 -0.553 . . . . 0.0 110.751 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -19.28 57.28 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -53.49 -63.06 1.27 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.793 2.037 . . . . 0.0 110.137 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 m -71.87 -63.29 1.16 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 173.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.74 95.43 5.41 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -161.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 11.35 0.08 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.921 1.688 . . . . 0.0 112.818 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -148.63 147.62 29.17 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 124.713 1.205 . . . . 0.0 108.239 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.15 154.97 19.11 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.683 1.193 . . . . 0.0 109.157 175.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.415 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 47.0 t -108.92 84.84 1.99 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.465 1.906 . . . . 0.0 107.143 170.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 43.42 -76.25 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 129.891 3.277 . . . . 0.0 114.941 168.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.2 m -44.65 -40.44 5.86 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.468 1.907 . . . . 0.0 111.375 169.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 33' ' ' SER . 5.9 mm-40 -63.47 -36.95 85.43 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.382 1.073 . . . . 0.0 108.861 -177.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -61.37 -40.23 93.56 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -73.88 -6.03 44.7 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 116.602 -1.666 . . . . 0.0 113.215 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.61 -73.19 0.11 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-N 121.188 1.813 . . . . 0.0 108.601 174.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.33 -43.22 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 118.294 0.497 . . . . 0.0 111.076 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.7 -39.42 73.82 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 117.997 -1.002 . . . . 0.0 111.924 -175.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -98.7 -8.21 26.53 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.646 1.178 . . . . 0.0 111.827 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.02 -49.56 8.2 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 18' ' ' GLN . 17.1 mt -92.92 -86.09 0.25 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.268 -168.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 174.42 14.42 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.687 1.995 . . . . 0.0 112.655 -167.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mp -76.85 -174.25 2.99 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.709 -1.245 . . . . 0.0 109.023 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -123.99 121.97 36.69 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -51.65 -32.78 30.76 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.217 1.807 . . . . 0.0 113.984 -173.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 p -64.5 -50.39 76.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.52 0.6 . . . . 0.0 110.397 175.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -45.48 84.37 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.996 0.903 . . . . 0.0 108.571 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.98 -50.27 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 125.046 1.339 . . . . 0.0 109.594 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 8.3 pttt -62.98 -7.87 6.13 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.07 -31.32 2.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 119.775 1.17 . . . . 0.0 111.314 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -51.74 -44.02 63.11 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.424 0.689 . . . . 0.0 109.396 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CE2' ' HA ' ' A' ' 52' ' ' LYS . 25.4 p90 -80.0 -36.99 35.14 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.217 176.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -50.69 -38.46 47.05 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.529 1.532 . . . . 0.0 112.349 -171.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -56.13 -38.78 71.26 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.85 -0.595 . . . . 0.0 111.872 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 . . . . . 0 C--N 1.341 0.228 0 CA-C-N 119.597 1.089 . . . . 0.0 112.685 -179.945 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.4 m . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.86 33.75 0.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.15 1.78 . . . . 0.0 113.09 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -120.32 -179.24 3.89 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.219 0.918 . . . . 0.0 110.447 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 p -126.2 169.98 12.29 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.775 1.63 . . . . 0.0 108.529 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 t -69.01 -34.55 75.44 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.528 0.603 . . . . 0.0 111.142 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -64.98 -47.0 79.14 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -68.74 -8.4 42.6 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.12 -2.95 48.9 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.751 1.62 . . . . 0.0 112.014 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.27 -57.22 5.12 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 120.449 1.477 . . . . 0.0 110.893 -167.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.35 -39.79 95.5 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.592 1.157 . . . . 0.0 109.437 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.581 HD13 HG21 ' A' ' 40' ' ' ILE . 7.7 tp -64.24 -33.5 75.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 127.089 2.156 . . . . 0.0 110.808 -173.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -83.92 -35.17 24.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.382 0.673 . . . . 0.0 112.721 169.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -69.78 -46.24 66.2 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 118.873 0.76 . . . . 0.0 109.627 -170.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -64.91 -16.89 63.82 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.65 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.61 -4.54 27.72 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.193 0.906 . . . . 0.0 112.904 171.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -82.66 -30.75 29.1 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.639 1.109 . . . . 0.0 112.436 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.6 m -119.8 -12.87 9.15 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -169.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.43 169.43 17.7 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.416 1.886 . . . . 0.0 106.944 160.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.03 18.4 11.68 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.567 0.622 . . . . 0.0 111.878 -174.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -160.18 97.45 1.25 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' CD2' HD12 ' A' ' 22' ' ' LEU . 6.5 mp -56.33 101.59 0.06 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 167.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 m -147.85 178.32 8.6 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 128.485 2.714 . . . . 0.0 107.324 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? 62.78 -86.11 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 128.563 2.745 . . . . 0.0 112.821 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.546 HG23 ' HG2' ' A' ' 36' ' ' GLU . 6.0 t -103.1 -26.88 12.87 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 173.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.546 ' HG2' HG23 ' A' ' 35' ' ' THR . 0.9 OUTLIER -81.55 -23.55 37.14 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 121.299 -0.876 . . . . 0.0 109.576 -155.64 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -62.21 -45.39 93.55 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 170.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 m -77.41 -25.42 50.77 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.977 0.911 . . . . 0.0 111.103 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -60.62 -63.01 1.45 Allowed 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 124.264 1.025 . . . . 0.0 108.442 -170.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.672 HG23 HD12 ' A' ' 44' ' ' LEU . 2.4 mp -67.33 -39.69 83.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -176.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.61 -26.54 65.54 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 118.113 -0.946 . . . . 0.0 112.023 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -120.07 20.34 12.11 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.091 0.956 . . . . 0.0 111.709 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.4 -34.61 2.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 117.161 -1.4 . . . . 0.0 113.522 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.672 HD12 HG23 ' A' ' 40' ' ' ILE . 23.1 mt -97.21 -88.78 0.29 Allowed 'General case' 0 C--N 1.346 0.417 0 CA-C-N 120.423 1.465 . . . . 0.0 109.925 -174.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -171.42 24.99 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 130.097 3.359 . . . . 0.0 111.382 -169.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.71 -178.99 3.81 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -175.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t -146.08 153.17 40.4 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.31 -41.61 97.28 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.004 0.922 . . . . 0.0 111.104 -170.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.456 ' O ' ' HE2' ' A' ' 52' ' ' LYS . 14.5 p -51.9 -33.49 15.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 C-N-CA 125.847 1.659 . . . . 0.0 112.741 174.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.74 -41.38 14.18 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 118.496 0.589 . . . . 0.0 110.557 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.05 -34.45 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 O-C-N 121.377 -0.827 . . . . 0.0 110.887 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HE2' ' O ' ' A' ' 49' ' ' VAL . 40.5 pttt -55.38 -34.38 64.28 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.828 1.194 . . . . 0.0 111.82 176.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.4 mt -82.38 -23.79 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.553 1.141 . . . . 0.0 109.325 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -61.44 -35.76 78.47 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 120.449 -1.407 . . . . 0.0 110.122 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -66.33 -18.03 65.11 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.837 -0.54 . . . . 0.0 111.695 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.33 3.92 1.12 Allowed 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.48 -1.388 . . . . 0.0 112.432 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -115.92 -18.62 10.67 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 124.701 1.2 . . . . 0.0 112.255 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -162.033 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 13' ' ' ALA . 7.4 m . . . . . 0 CA--C 1.54 0.572 0 CA-C-O 121.673 0.749 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.524 ' H ' HG22 ' A' ' 12' ' ' THR . . . -118.05 44.49 2.19 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.954 1.702 . . . . 0.0 112.189 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -125.79 -166.02 1.5 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.9 1.68 . . . . 0.0 109.271 174.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.6 p -132.65 164.15 27.36 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.007 1.323 . . . . 0.0 108.532 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.3 p -65.6 -14.85 62.0 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.414 -0.804 . . . . 0.0 112.472 173.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -98.4 -4.88 33.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.878 1.671 . . . . 0.0 111.21 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -107.21 -30.94 8.45 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.64 2.376 . . . . 0.0 109.435 169.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.75 -4.26 11.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.431 1.092 . . . . 0.0 112.837 171.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -45.2 76.93 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 120.158 1.345 . . . . 0.0 111.061 -173.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.6 -26.09 12.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 123.399 0.437 . . . . 0.0 109.938 -175.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.08 -49.22 78.5 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.308 1.043 . . . . 0.0 110.714 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -65.73 -25.87 67.48 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 121.895 -0.503 . . . . 0.0 111.852 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -70.28 -13.02 61.98 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.943 1.297 . . . . 0.0 111.643 -177.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -49.08 79.23 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 118.82 0.736 . . . . 0.0 109.189 173.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.11 -1.2 11.54 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 126.359 1.864 . . . . 0.0 113.804 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -98.35 -0.97 42.72 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.126 0.971 . . . . 0.0 111.658 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.16 -32.66 0.78 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.392 1.077 . . . . 0.0 111.956 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -133.13 177.2 7.85 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 126.634 1.974 . . . . 0.0 105.928 169.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -140.98 27.05 2.0 Favored 'General case' 0 N--CA 1.423 -1.783 0 C-N-CA 123.253 0.621 . . . . 0.0 110.96 167.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -148.48 62.77 1.08 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.936 1.694 . . . . 0.0 108.626 -166.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.66 109.3 0.6 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.946 1.298 . . . . 0.0 110.701 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.3 t -65.03 176.35 1.28 Allowed 'General case' 0 C--O 1.238 0.473 0 C-N-CA 125.834 1.654 . . . . 0.0 111.229 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -54.95 27.56 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.88 1.272 . . . . 0.0 109.072 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -64.88 -31.08 72.14 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.066 0.946 . . . . 0.0 111.692 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.83 -39.73 23.56 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.691 0.796 . . . . 0.0 109.062 -167.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -56.55 -47.14 80.09 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 170.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.2 m -65.79 -2.71 3.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.776 1.63 . . . . 0.0 114.493 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -74.92 -80.18 0.08 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 120.541 1.519 . . . . 0.0 106.959 166.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.478 HD12 ' H ' ' A' ' 40' ' ' ILE . 5.1 mp -52.38 -43.4 40.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 118.628 0.649 . . . . 0.0 111.308 -176.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.29 -10.81 57.39 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-O 118.294 -0.86 . . . . 0.0 112.817 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -133.79 36.67 3.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 120.115 1.325 . . . . 0.0 109.001 170.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.04 -63.43 1.11 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 118.247 -0.883 . . . . 0.0 109.329 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.05 -86.95 0.08 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -169.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -164.83 8.76 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.761 2.425 . . . . 0.0 111.305 -157.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 mp -105.94 141.87 36.6 Favored 'General case' 0 CA--C 1.522 -0.115 0 O-C-N 120.446 -1.408 . . . . 0.0 108.22 -167.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 m -77.69 140.63 39.57 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 170.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.29 -47.95 13.02 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.866 1.666 . . . . 0.0 111.002 170.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.8 t -59.06 -62.68 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.31 0.644 . . . . 0.0 109.532 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -35.22 64.03 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.828 0.851 . . . . 0.0 111.829 -171.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.8 -34.86 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 123.134 0.574 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -55.86 -37.21 68.47 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 120.721 -1.237 . . . . 0.0 112.135 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -81.12 -18.06 11.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 O-C-N 121.58 -0.7 . . . . 0.0 110.912 -173.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -58.6 -40.78 84.22 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 120.396 -1.44 . . . . 0.0 109.815 171.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -66.89 -26.92 67.11 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.259 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.37 -19.63 56.43 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.723 1.609 . . . . 0.0 110.831 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -87.01 -50.34 6.72 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 123.758 0.823 . . . . 0.0 111.305 167.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 . . . . . 0 N--CA 1.464 0.235 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -173.642 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.448 -0.536 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.454 ' H ' ' NE2' ' A' ' 50' ' ' GLN . . . -112.54 52.47 0.77 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 124.537 1.135 . . . . 0.0 110.429 -177.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -120.32 -168.78 1.68 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.903 0.881 . . . . 0.0 110.606 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.4 p -139.67 169.25 18.07 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.648 1.579 . . . . 0.0 108.277 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.99 -25.87 61.14 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.115 0.87 . . . . 0.0 112.151 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -58.51 -58.95 6.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 169.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -56.8 -46.45 81.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.561 0.745 . . . . 0.0 111.989 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.36 -22.3 63.11 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 117.352 -1.309 . . . . 0.0 113.558 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.471 HD22 ' HE3' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -58.69 -34.38 71.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 120.437 1.471 . . . . 0.0 111.158 -175.437 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG3' HD21 ' A' ' 44' ' ' LEU . 2.0 mt-10 -76.97 -36.46 56.46 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.836 -0.54 . . . . 0.0 110.481 -175.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.69 -36.92 85.85 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 126.583 1.953 . . . . 0.0 110.518 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -67.92 -49.42 61.95 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.74 1.216 . . . . 0.0 110.371 173.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE3' HD22 ' A' ' 20' ' ' LEU . 75.5 mttt -53.7 -48.87 69.13 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.868 0.867 . . . . 0.0 112.643 -174.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.82 -38.44 78.63 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.355 0.41 . . . . 0.0 111.038 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -15.5 63.67 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.518 -0.753 . . . . 0.0 112.284 -173.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -77.44 -18.55 57.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.699 0.681 . . . . 0.0 111.563 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.7 t -111.78 -49.67 2.97 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.493 1.117 . . . . 0.0 110.51 -174.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.36 104.31 7.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.353 1.061 . . . . 0.0 108.515 -172.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -68.77 0.08 4.74 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.465 1.906 . . . . 0.0 112.299 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -132.38 120.44 22.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.755 2.022 . . . . 0.0 106.452 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -86.9 116.28 24.86 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.5 m -75.69 -170.34 1.27 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.352 0.596 . . . . 0.0 110.239 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -53.34 20.54 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 120.736 -1.228 . . . . 0.0 111.322 -168.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.2 m -69.26 -32.11 71.08 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.182 0.447 . . . . 0.0 110.885 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.67 -34.18 76.41 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.98 -17.33 51.32 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 172.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.9 m -97.23 -4.13 39.52 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.033 -1.46 . . . . 0.0 113.249 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -56.6 -62.81 1.47 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.584 1.538 . . . . 0.0 108.424 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.44 -36.83 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.629 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.61 73.68 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.828 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -95.35 -2.29 49.48 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.127 0.876 . . . . 0.0 112.989 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.802 ' HB3' HD22 ' A' ' 44' ' ' LEU . . . -82.87 -59.15 2.59 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 -173.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 43' ' ' ALA . 1.2 mm? -106.05 -89.15 0.44 Allowed 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 119.207 -0.997 . . . . 0.0 112.274 -162.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.61 7.67 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 129.496 3.118 . . . . 0.0 111.419 -160.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.67 177.14 4.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.055 -1.653 . . . . 0.0 108.59 -173.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.8 t -115.2 127.65 55.66 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 164.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -44.72 -45.1 9.66 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.708 2.003 . . . . 0.0 110.819 174.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.67 -19.69 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 126.292 1.837 . . . . 0.0 112.072 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.454 ' NE2' ' H ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -89.69 -39.99 12.83 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.795 1.638 . . . . 0.0 110.348 170.573 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -57.71 -43.12 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.98 0.912 . . . . 0.0 110.064 -177.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -50.97 -26.39 5.92 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.8 mp -87.72 -20.5 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 120.697 -1.252 . . . . 0.0 111.262 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -60.36 -35.8 76.54 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.751 -1.218 . . . . 0.0 109.313 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -68.92 -45.15 71.59 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.992 0.917 . . . . 0.0 110.039 174.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -14.72 17.93 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.092 1.357 . . . . 0.0 112.945 174.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -99.6 -12.02 20.45 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.936 1.295 . . . . 0.0 112.426 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 . . . . . 0 CA--C 1.531 0.231 0 CA-C-N 119.381 0.991 . . . . 0.0 111.338 168.232 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.303 0.573 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.37 23.3 13.36 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.583 1.953 . . . . 0.0 110.933 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -71.85 144.72 48.98 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.042 -1.036 . . . . 0.0 108.875 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.24 159.92 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 127.211 2.205 . . . . 0.0 109.409 -177.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.4 t -55.32 -28.2 52.08 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.558 1.143 . . . . 0.0 110.979 169.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -71.08 -23.82 62.19 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.818 1.19 . . . . 0.0 111.549 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -97.73 -12.9 21.79 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.756 1.222 . . . . 0.0 112.215 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mp -88.47 -6.64 57.5 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.893 -1.051 . . . . 0.0 111.946 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.35 -60.86 3.14 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.248 1.019 . . . . 0.0 109.768 -177.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.42 -30.67 71.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.163 1.385 . . . . 0.0 111.074 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mt -64.8 -48.89 72.8 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 124.383 1.073 . . . . 0.0 109.619 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -66.23 -35.06 79.44 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.591 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -64.05 -44.09 93.54 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.557 1.143 . . . . 0.0 110.159 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.15 -20.69 64.03 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.954 1.702 . . . . 0.0 112.323 172.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.4 0.11 57.08 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.301 1.04 . . . . 0.0 112.015 173.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.41 -52.55 17.97 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.865 1.211 . . . . 0.0 109.227 170.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.5 m -66.18 -54.09 29.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.198 0.999 . . . . 0.0 110.669 -173.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' HE2' HD12 ' A' ' 32' ' ' LEU . 2.3 pptp? -132.13 158.32 41.96 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.014 -159.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -88.45 -19.16 26.87 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -164.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -139.61 -167.54 2.29 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 124.388 1.075 . . . . 0.0 108.863 -150.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD12 ' HE2' ' A' ' 29' ' ' LYS . 2.3 tp -146.59 80.82 1.56 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -74.49 73.88 1.93 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.959 2.504 . . . . 0.0 109.557 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 44.13 -86.1 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 128.774 2.83 . . . . 0.0 112.054 -165.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.0 m -48.07 -32.29 6.57 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 129.192 2.997 . . . . 0.0 114.13 -163.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.34 -39.4 86.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.454 1.102 . . . . 0.0 108.991 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -64.02 -38.6 91.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.234 -0.916 . . . . 0.0 112.126 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.7 m -73.17 -11.08 60.4 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.738 1.215 . . . . 0.0 110.18 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -70.79 -69.63 0.35 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 166.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.418 HD12 ' H ' ' A' ' 40' ' ' ILE . 4.3 mp -53.67 -46.39 61.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 118.417 0.553 . . . . 0.0 110.135 -173.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.2 -12.15 48.2 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -124.09 -2.25 8.17 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.379 0.99 . . . . 0.0 111.415 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.15 -49.14 4.0 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.655 1.182 . . . . 0.0 109.778 -176.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mt -88.57 -88.14 0.15 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.967 -174.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -164.05 13.52 0.05 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 130.691 3.597 . . . . 0.0 111.993 -170.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.99 -176.08 3.45 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.518 -1.364 . . . . 0.0 111.43 -163.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.48 117.74 21.86 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.912 1.685 . . . . 0.0 109.412 -168.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.85 -35.69 61.77 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.086 1.312 . . . . 0.0 111.886 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.61 -52.26 63.04 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -43.85 78.29 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 123.069 0.548 . . . . 0.0 110.501 -176.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.04 -28.3 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 O-C-N 120.956 -1.09 . . . . 0.0 109.971 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -50.31 -34.52 23.9 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.378 1.071 . . . . 0.0 111.512 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.61 -29.16 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 119.011 0.823 . . . . 0.0 111.153 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -53.78 -38.98 65.03 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 121.01 -1.056 . . . . 0.0 111.607 -172.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -89.37 -36.38 15.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.217 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.7 -33.98 36.63 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.824 1.65 . . . . 0.0 111.541 175.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.02 -18.32 45.35 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 119.281 0.946 . . . . 0.0 111.142 178.105 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.4 HG23 ' CE2' ' A' ' 14' ' ' PHE . 4.5 m . . . . . 0 C--O 1.238 0.481 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.8 48.24 1.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.608 1.563 . . . . 0.0 108.147 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.4 ' CE2' HG23 ' A' ' 12' ' ' THR . 21.3 m-85 -77.31 -165.92 0.66 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.13 0.972 . . . . 0.0 108.813 171.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.42 158.36 43.97 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 126.055 1.742 . . . . 0.0 106.585 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -59.88 -25.58 65.19 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.4 -10.96 60.45 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.166 0.986 . . . . 0.0 112.383 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.435 ' HB3' HD11 ' A' ' 46' ' ' LEU . 34.3 mt-30 -122.1 -17.21 7.29 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.739 1.216 . . . . 0.0 111.376 177.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.75 -3.25 37.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.844 171.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.59 -52.32 58.13 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 120.651 1.569 . . . . 0.0 109.166 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.94 -35.78 81.8 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.387 1.075 . . . . 0.0 110.677 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tp -66.43 -48.5 69.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.346 1.458 . . . . 0.0 109.339 -173.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -71.9 -33.4 68.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.53 -0.748 . . . . 0.0 112.06 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -56.24 -54.16 48.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 119.32 0.964 . . . . 0.0 109.672 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.21 -43.42 98.9 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.444 0.698 . . . . 0.0 109.793 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -11.12 39.18 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -83.61 -34.55 25.08 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.989 1.268 . . . . 0.0 109.81 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.75 -39.23 76.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.869 0.868 . . . . 0.0 109.61 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.39 161.58 37.56 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 123.762 0.825 . . . . 0.0 109.575 -169.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 6.49 22.24 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -163.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -141.88 127.64 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.673 1.189 . . . . 0.0 107.892 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -88.79 99.29 12.25 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -65.96 -179.28 0.7 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.725 2.01 . . . . 0.0 111.182 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -56.92 12.49 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.318 -0.864 . . . . 0.0 112.266 -167.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 t -64.31 -28.4 69.69 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.324 1.059 . . . . 0.0 110.401 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.78 -32.73 71.37 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -75.56 -16.28 60.27 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.066 1.747 . . . . 0.0 112.357 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -13.59 43.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.91 0.884 . . . . 0.0 112.394 171.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -62.27 -66.77 0.49 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.787 1.176 . . . . 0.0 110.644 -171.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.82 -36.91 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.083 0.953 . . . . 0.0 110.103 -174.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.79 -32.42 67.52 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -107.74 0.32 22.24 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.711 0.687 . . . . 0.0 111.442 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.19 -36.81 13.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.904 0.881 . . . . 0.0 110.086 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.1 mt -119.41 -87.22 0.64 Allowed 'General case' 0 C--N 1.342 0.27 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -163.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER 174.15 11.92 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.217 2.207 . . . . 0.0 113.503 -166.614 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 18' ' ' GLN . 7.1 mp -71.58 178.69 3.39 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.163 -0.961 . . . . 0.0 108.94 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.3 m -124.68 121.21 34.06 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.704 1.202 . . . . 0.0 109.015 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.03 -39.56 72.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.306 1.442 . . . . 0.0 112.893 -162.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.25 -41.97 88.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.946 -0.471 . . . . 0.0 109.774 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -40.54 83.56 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.901 1.28 . . . . 0.0 110.239 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.6 -45.77 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -52.32 -24.64 7.86 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.399 1.48 . . . . 0.0 113.353 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.2 mt -104.05 -21.36 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 124.35 1.06 . . . . 0.0 110.369 -172.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -52.1 -44.84 64.62 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.923 1.238 . . . . 0.0 108.345 166.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.3 -21.42 66.6 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.56 -21.71 66.15 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 120.641 1.564 . . . . 0.0 111.003 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -83.02 -62.91 1.47 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 125.356 1.462 . . . . 0.0 108.983 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.535 0.372 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -169.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.1 m . . . . . 0 C--O 1.237 0.407 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.65 88.99 2.87 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 128.313 2.645 . . . . 0.0 105.529 170.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -120.24 163.65 17.46 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 163.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.8 p -114.15 164.03 14.41 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 125.777 1.631 . . . . 0.0 109.263 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 t -56.78 -42.84 80.13 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.634 -0.666 . . . . 0.0 109.991 173.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -52.9 -29.54 28.99 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.922 1.289 . . . . 0.0 114.223 173.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.406 ' HB3' HD11 ' A' ' 46' ' ' LEU . 70.5 mt-30 -95.94 -11.82 26.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.375 2.27 . . . . 0.0 112.111 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -101.11 -12.82 18.5 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.224 1.409 . . . . 0.0 112.817 -175.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.5 -59.78 4.02 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.899 1.279 . . . . 0.0 110.009 -174.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -71.65 -41.36 68.86 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.309 1.844 . . . . 0.0 108.128 -173.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.5 tp -58.93 -50.52 73.74 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 127.113 2.165 . . . . 0.0 110.664 -174.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.22 -47.19 62.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.973 1.709 . . . . 0.0 109.89 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -56.67 -46.19 81.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 118.869 0.759 . . . . 0.0 110.941 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -13.57 62.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.451 -178.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.03 -7.95 59.67 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 119.209 0.913 . . . . 0.0 112.331 173.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -82.27 -44.31 16.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.926 0.89 . . . . 0.0 110.539 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 89.1 m -86.26 -21.11 27.55 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.09 0.859 . . . . 0.0 111.048 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.64 113.59 5.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.5 17.82 0.81 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.07 0.948 . . . . 0.0 111.107 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -147.99 141.88 25.81 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 128.245 2.618 . . . . 0.0 107.133 -170.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.6 mt -113.16 105.28 13.26 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.594 1.958 . . . . 0.0 109.356 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.0 m -68.51 96.77 0.72 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.624 1.17 . . . . 0.0 109.227 165.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 43.54 -80.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 129.548 3.139 . . . . 0.0 115.212 164.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.3 m -54.39 -34.66 61.72 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.615 0.766 . . . . 0.0 111.006 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -69.78 -14.82 62.96 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.157 0.983 . . . . 0.0 110.364 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -97.3 0.52 48.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.263 1.825 . . . . 0.0 112.373 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 p -101.92 -22.33 14.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.008 0.923 . . . . 0.0 110.89 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -66.93 -59.91 3.1 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 123.73 0.812 . . . . 0.0 109.945 -164.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.71 -30.37 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 121.524 -0.735 . . . . 0.0 109.134 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.52 -6.43 30.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.991 1.317 . . . . 0.0 113.907 174.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -138.44 8.41 2.64 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.038 1.29 . . . . 0.0 113.479 175.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.79 -47.25 3.16 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.538 1.535 . . . . 0.0 109.539 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.13 -89.5 0.17 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.737 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.97 24.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.597 2.359 . . . . 0.0 108.804 -166.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 18' ' ' GLN . 6.4 mp -111.7 173.35 6.39 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 -175.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 m -142.66 141.7 31.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 118.357 -0.83 . . . . 0.0 108.937 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -47.2 -46.36 23.94 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.037 0.935 . . . . 0.0 112.228 -173.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.454 ' HA ' ' HE3' ' A' ' 52' ' ' LYS . 14.9 p -53.94 -38.39 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 124.264 1.025 . . . . 0.0 111.655 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -42.15 14.61 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.082 1.353 . . . . 0.0 109.859 177.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.82 -39.5 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 O-C-N 121.526 -0.734 . . . . 0.0 110.208 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 49' ' ' VAL . 10.8 ptpt -56.41 -22.83 34.21 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.382 0.992 . . . . 0.0 113.447 -178.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.9 mp -85.37 -20.98 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 O-C-N 120.243 -1.535 . . . . 0.0 111.435 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 36.5 t90 -59.1 -35.87 74.16 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.881 1.219 . . . . 0.0 109.491 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -72.06 -34.02 68.41 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.609 -0.682 . . . . 0.0 110.838 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -8.01 4.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.291 1.436 . . . . 0.0 111.705 171.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -121.73 -21.39 6.14 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 117.341 -1.314 . . . . 0.0 113.97 171.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 . . . . . 0 C--N 1.333 -0.117 0 CA-C-N 121.39 1.905 . . . . 0.0 110.679 178.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.537 0.457 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 67.09 5.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.124 0.97 . . . . 0.0 109.62 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -138.5 -164.91 1.72 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.381 1.472 . . . . 0.0 108.166 167.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.32 152.89 46.2 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 126.694 1.998 . . . . 0.0 107.365 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.89 -9.45 51.74 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.069 0.948 . . . . 0.0 112.123 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -40.51 55.28 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.447 1.022 . . . . 0.0 110.163 170.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -73.62 -44.8 56.12 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.07 -6.47 1.39 Allowed 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.347 1.459 . . . . 0.0 114.059 -177.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -62.37 -42.83 99.72 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 120.428 1.467 . . . . 0.0 110.164 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.73 -32.97 68.33 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.349 0.595 . . . . 0.0 110.318 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.39 -52.84 62.93 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 170.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -66.54 -30.9 71.32 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.053 0.541 . . . . 0.0 112.229 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -70.79 -46.4 62.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.515 0.726 . . . . 0.0 110.527 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -47.03 86.93 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 121.543 -0.723 . . . . 0.0 109.771 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.18 2.13 11.66 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -91.17 -29.3 17.33 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.973 1.309 . . . . 0.0 111.16 169.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.7 m -85.83 -38.85 17.69 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.758 0.823 . . . . 0.0 111.006 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -129.13 150.91 50.32 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 124.943 1.297 . . . . 0.0 109.501 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -93.66 32.07 1.47 Allowed 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.385 0.674 . . . . 0.0 110.362 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -163.19 -167.93 1.59 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 -172.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.1 mt -159.01 103.11 1.66 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 103.354 -2.832 . . . . 0.0 103.354 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.0 m -61.28 165.16 4.75 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -45.67 82.82 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.433 -0.792 . . . . 0.0 110.772 -165.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -50.84 -42.87 58.98 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 125.067 1.347 . . . . 0.0 111.902 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -71.4 -47.52 55.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.468 1.507 . . . . 0.0 107.773 -165.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -62.3 -39.55 93.35 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.261 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 m -58.94 -34.66 72.0 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 117.682 -1.152 . . . . 0.0 112.543 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -61.66 -61.07 2.78 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.5 mp -45.64 -54.24 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 123.843 0.857 . . . . 0.0 110.639 172.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.14 -18.62 64.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.685 -172.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -127.63 -2.03 6.09 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 119.391 0.996 . . . . 0.0 113.303 -168.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.68 -12.64 13.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.946 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.7 mt -113.64 -90.07 0.53 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.804 1.184 . . . . 0.0 110.576 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.49 33.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 130.233 3.413 . . . . 0.0 108.768 -168.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.82 166.25 10.51 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.099 -1.001 . . . . 0.0 109.099 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.89 119.61 32.08 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -174.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.79 -41.65 7.14 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.311 1.844 . . . . 0.0 113.19 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.9 t -70.05 -36.89 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 O-C-N 120.786 -1.196 . . . . 0.0 110.9 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -41.38 75.94 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.249 1.02 . . . . 0.0 110.105 176.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.3 -38.69 70.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.35 1.06 . . . . 0.0 108.947 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -54.73 -27.15 38.69 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.09 0.956 . . . . 0.0 113.377 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mt -102.56 -19.94 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 119.52 1.055 . . . . 0.0 110.471 -170.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -58.99 -32.1 69.39 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.295 -1.503 . . . . 0.0 110.178 172.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -54.65 -31.15 57.1 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.303 1.041 . . . . 0.0 112.391 172.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.53 10.75 0.16 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.55 1.94 . . . . 0.0 113.316 176.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -126.41 -53.13 1.48 Allowed 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 126.529 1.932 . . . . 0.0 107.876 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 tpt85 . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -177.902 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 CA--C 1.541 0.61 0 CA-C-O 121.005 0.431 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.67 89.56 2.0 Allowed 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 167.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -128.8 179.33 5.77 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.619 1.967 . . . . 0.0 108.074 168.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.75 154.63 39.22 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 127.145 2.178 . . . . 0.0 107.613 -176.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -15.61 9.66 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.35 1.06 . . . . 0.0 112.775 169.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.59 -49.8 43.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 119.688 1.131 . . . . 0.0 110.395 171.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.42 ' HA ' HD22 ' A' ' 44' ' ' LEU . 7.4 mt-30 -88.49 -21.02 24.39 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.006 -172.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.01 -30.38 68.76 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 121.099 -1.001 . . . . 0.0 111.235 172.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -38.64 79.06 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.544 0.738 . . . . 0.0 112.708 -163.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.494 ' HB2' HD11 ' A' ' 44' ' ' LEU . 3.1 mt-10 -86.56 -32.64 20.57 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.222 1.009 . . . . 0.0 110.599 -173.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -48.53 70.83 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 126.523 1.929 . . . . 0.0 111.053 171.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.34 -30.99 62.26 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 123.906 0.882 . . . . 0.0 112.243 -178.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -58.87 6.1 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 172.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -77.69 30.15 0.16 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.065 1.346 . . . . 0.0 112.096 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -129.43 2.27 5.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.588 1.155 . . . . 0.0 112.107 164.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -73.45 -62.45 1.48 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 86.4 m -78.93 -22.5 45.69 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -169.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.503 ' HE2' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.15 125.76 32.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 -174.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.04 42.95 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -158.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -176.91 -174.08 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.5 1.52 . . . . 0.0 107.094 -175.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.503 HD23 ' HE2' ' A' ' 29' ' ' LYS . 29.9 mt -138.13 96.35 3.18 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 169.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -69.38 168.91 13.38 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.922 1.289 . . . . 0.0 109.587 169.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.25 -53.14 59.83 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.42 1.009 . . . . 0.0 111.135 -166.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 m -60.73 -40.96 94.34 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.937 0.895 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.94 -36.22 79.75 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.579 0.752 . . . . 0.0 109.527 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -68.88 -21.47 64.25 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.439 1.496 . . . . 0.0 110.737 -174.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.9 p -95.94 -5.66 40.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.46 1.027 . . . . 0.0 112.605 173.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.93 -59.55 5.19 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.51 1.504 . . . . 0.0 110.166 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mp -54.19 -50.92 52.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 C-N-CA 124.876 1.27 . . . . 0.0 109.301 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.25 -25.43 67.08 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -174.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -78.26 -9.33 59.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.468 1.107 . . . . 0.0 112.628 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.25 -2.6 1.12 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.214 1.37 . . . . 0.0 112.879 -166.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 21' ' ' GLU . 30.2 mt -147.31 115.28 6.5 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 129.404 3.082 . . . . 0.0 104.393 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HD3' ' H ' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -58.12 33.23 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.752 1 C-N-CA 131.82 4.048 . . . . 0.0 114.405 175.95 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -179.54 0.35 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.1 2.56 . . . . 0.0 112.259 173.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.6 m -98.46 110.86 23.38 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.296 1.438 . . . . 0.0 109.391 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.6 -26.41 63.64 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.285 1.034 . . . . 0.0 112.97 -177.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.53 -46.46 95.43 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 O-C-N 121.385 -0.822 . . . . 0.0 108.937 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -37.42 75.55 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.247 1.419 . . . . 0.0 111.376 -170.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -56.24 -32.81 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -56.2 -22.62 30.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.969 2.108 . . . . 0.0 113.879 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -111.02 -25.58 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 119.233 0.924 . . . . 0.0 110.347 -176.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -58.11 -37.57 74.81 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.289 -0.882 . . . . 0.0 112.172 -171.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -82.15 -29.37 31.63 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 122.272 -0.268 . . . . 0.0 111.352 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.9 -35.69 73.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.954 1.702 . . . . 0.0 110.141 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -55.24 -42.92 74.08 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.529 -0.732 . . . . 0.0 110.566 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.633 0 C-N-CA 125.341 1.456 . . . . 0.0 113.396 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.241 0.613 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.5 3.43 53.97 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -86.48 171.26 11.23 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.345 1.058 . . . . 0.0 111.366 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.1 p -93.19 179.48 5.41 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 126.652 1.981 . . . . 0.0 108.572 -178.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -80.73 -38.31 29.0 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 120.737 -1.227 . . . . 0.0 108.519 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -67.57 -9.27 41.21 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -113.98 -14.11 12.46 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.542 1.065 . . . . 0.0 112.832 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.86 -8.52 56.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.919 1.688 . . . . 0.0 113.338 170.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -69.08 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 119.866 1.212 . . . . 0.0 112.259 -164.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.98 -20.86 64.18 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.952 0.501 . . . . 0.0 111.581 -177.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.505 ' HG ' HG21 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -52.22 -45.87 65.43 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.719 1.207 . . . . 0.0 111.172 166.192 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.98 -28.14 57.75 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.861 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -60.33 -51.96 67.31 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 119.59 1.087 . . . . 0.0 108.802 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -54.64 14.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.284 0.634 . . . . 0.0 111.761 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.25 -5.8 30.19 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -171.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -72.3 -52.34 16.69 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.151 0.581 . . . . 0.0 109.484 168.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 84.0 m -72.76 -55.75 6.27 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.814 1.246 . . . . 0.0 109.655 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.84 102.84 9.1 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 122.698 1.237 . . . . 0.0 108.13 -168.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.45 39.94 0.48 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.431 1.492 . . . . 0.0 110.37 -166.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -171.93 138.83 1.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.953 2.101 . . . . 0.0 105.774 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mt -117.31 102.04 8.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -65.14 -179.31 0.55 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.268 1.427 . . . . 0.0 111.851 174.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -51.4 16.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.275 1.43 . . . . 0.0 113.036 -172.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.7 m -57.45 -51.94 67.4 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.604 1.562 . . . . 0.0 110.396 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -72.99 -40.39 65.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.749 2.019 . . . . 0.0 108.876 -163.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -64.69 -23.04 67.12 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.097 -1.627 . . . . 0.0 111.769 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 t -85.25 -10.91 55.98 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 120.487 1.494 . . . . 0.0 112.395 173.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -68.73 -66.81 0.53 Allowed 'General case' 0 C--N 1.342 0.273 0 CA-C-N 120.741 1.61 . . . . 0.0 109.659 -170.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.505 HG21 ' HG ' ' A' ' 22' ' ' LEU . 4.7 mp -58.36 -45.92 89.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.81 -6.5 2.73 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.2 1.4 . . . . 0.0 114.522 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -136.16 14.35 3.29 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.959 1.254 . . . . 0.0 111.547 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.5 -46.43 5.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.79 1.236 . . . . 0.0 109.94 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 40' ' ' ILE . 1.1 mt -101.77 -88.16 0.39 Allowed 'General case' 0 C--N 1.349 0.586 0 CA-C-O 117.451 -1.261 . . . . 0.0 111.276 -169.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -159.92 -1.21 0.07 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.029 2.531 . . . . 0.0 114.736 -167.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.74 151.49 27.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.843 1.257 . . . . 0.0 110.377 -166.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.68 128.91 36.16 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.47 1.508 . . . . 0.0 109.933 170.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -48.48 -43.11 34.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.2 1.4 . . . . 0.0 112.013 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.0 t -47.81 -53.03 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.245 1.418 . . . . 0.0 110.232 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -36.53 82.71 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.277 1.831 . . . . 0.0 110.643 -176.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -70.87 -43.45 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.489 1.516 . . . . 0.0 110.24 -174.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -50.38 -40.49 49.76 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.366 -0.834 . . . . 0.0 110.886 175.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.2 mt -77.11 -22.45 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 124.299 1.04 . . . . 0.0 110.468 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.416 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 19.3 t90 -56.56 -40.94 76.03 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 120.687 1.585 . . . . 0.0 108.577 174.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -65.63 -34.39 78.11 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.591 -0.693 . . . . 0.0 111.653 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.358 0.1 OUTLIER -72.66 -16.42 61.7 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.552 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -111.82 -1.19 15.65 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HG3' ' CD2' ' A' ' 54' ' ' TRP . 12.9 mmm180 . . . . . 0 N--CA 1.47 0.528 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 C--O 1.234 0.288 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.78 70.05 1.33 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 166.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -98.71 165.89 11.58 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.469 ' H ' ' HG3' ' A' ' 18' ' ' GLN . 1.3 p -120.95 172.27 8.04 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.433 1.493 . . . . 0.0 108.359 -177.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -60.91 -32.5 71.97 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 119.072 -0.49 . . . . 0.0 111.023 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.58 -19.38 63.67 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.617 1.167 . . . . 0.0 112.046 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' H ' ' A' ' 15' ' ' THR . 2.8 mt-30 -96.8 -43.03 7.69 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.169 1.388 . . . . 0.0 108.763 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 mt -67.67 -12.74 61.14 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 124.779 1.232 . . . . 0.0 112.618 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.14 -55.05 15.83 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 120.662 1.574 . . . . 0.0 108.177 -167.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -72.44 -26.87 62.0 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.12 0.968 . . . . 0.0 111.376 -174.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.3 tp -79.88 -33.15 40.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.653 2.381 . . . . 0.0 111.603 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.07 -26.3 43.05 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.945 -0.472 . . . . 0.0 109.94 167.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -73.75 -38.44 64.74 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.109 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.94 -51.46 67.58 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.362 0.983 . . . . 0.0 108.973 177.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -78.37 13.23 1.61 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.016 1.326 . . . . 0.0 112.375 -168.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.0 -5.37 13.79 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.645 1.111 . . . . 0.0 111.671 170.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.8 m -126.94 -0.66 6.59 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.25 132.64 26.75 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 119.557 1.072 . . . . 0.0 108.336 163.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -71.4 -11.71 61.03 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.567 165.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.93 100.78 4.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.355 0.98 . . . . 0.0 111.451 -164.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 32' ' ' LEU . 11.1 mt -69.18 113.58 6.66 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 168.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.2 t -159.25 -160.71 0.87 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 129.476 3.11 . . . . 0.0 104.955 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 52.52 40.1 29.17 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.389 1.876 . . . . 0.0 111.916 174.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.296 1.4 t 51.27 10.84 0.09 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.578 2.351 . . . . 0.0 115.001 -171.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HA ' ' HG3' ' A' ' 39' ' ' GLN . 2.7 mm-40 -65.69 -33.88 76.92 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 120.162 -1.587 . . . . 0.0 108.931 174.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -3.13 4.87 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.662 -0.685 . . . . 0.0 112.793 175.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.0 m -122.16 13.66 10.46 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.628 1.571 . . . . 0.0 108.959 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HG3' ' HA ' ' A' ' 36' ' ' GLU . 4.8 mm100 -79.0 -64.39 1.19 Allowed 'General case' 0 C--N 1.345 0.392 0 CA-C-N 119.198 0.908 . . . . 0.0 108.651 172.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -62.38 -35.58 70.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -163.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.06 -13.79 62.27 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -111.67 -15.11 13.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.761 1.164 . . . . 0.0 112.228 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.58 -17.99 13.6 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 117.648 -1.168 . . . . 0.0 111.472 -157.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -122.98 -86.06 0.65 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 119.155 0.889 . . . . 0.0 112.702 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 43.46 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 128.725 2.81 . . . . 0.0 109.494 -172.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 18' ' ' GLN . 5.8 mp -113.08 -169.43 1.48 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.315 1.046 . . . . 0.0 108.789 176.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -137.31 134.69 36.35 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.477 1.511 . . . . 0.0 110.287 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -39.84 95.84 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.065 0.946 . . . . 0.0 113.492 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.2 t -58.57 -45.14 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -35.84 71.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.397 0.679 . . . . 0.0 110.385 -174.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 51' ' ' VAL . 3.7 t -60.96 -37.77 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 121.158 -0.964 . . . . 0.0 110.74 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -54.69 -23.1 15.98 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.981 0.912 . . . . 0.0 111.201 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -109.96 -26.44 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.128 1.771 . . . . 0.0 111.151 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -54.69 -39.79 68.5 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.825 1.648 . . . . 0.0 109.669 173.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -52.35 -40.96 62.63 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.479 1.112 . . . . 0.0 112.708 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -55.32 -46.48 76.33 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.805 1.642 . . . . 0.0 110.01 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -66.11 -49.71 66.55 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 124.311 1.044 . . . . 0.0 110.302 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 . . . . . 0 C--N 1.343 0.283 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.72 -177.121 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.256 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.73 5.34 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.359 1.863 . . . . 0.0 111.851 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -79.85 178.56 8.11 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.253 1.421 . . . . 0.0 110.261 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.5 p -141.82 169.19 18.05 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.924 1.29 . . . . 0.0 108.983 -169.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -59.92 -43.64 94.76 Favored 'General case' 0 C--O 1.23 0.035 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.06 -34.6 70.29 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.193 0.52 . . . . 0.0 111.242 -177.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -94.22 -9.47 36.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.96 1.304 . . . . 0.0 111.908 -172.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 HD23 ' A' ' 22' ' ' LEU . 44.1 mt -98.04 -8.27 28.17 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.175 1.39 . . . . 0.0 111.746 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.56 -53.69 31.88 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 124.317 1.047 . . . . 0.0 109.716 -163.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.5 -32.92 48.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.199 1.8 . . . . 0.0 109.149 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.4 HD23 HD23 ' A' ' 19' ' ' LEU . 37.9 tp -68.7 -51.09 45.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.534 1.934 . . . . 0.0 111.287 -173.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.85 -35.34 80.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 119.528 -0.273 . . . . 0.0 110.63 173.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.94 -48.82 78.69 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.606 0.762 . . . . 0.0 110.309 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.42 -43.26 96.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 124.065 0.946 . . . . 0.0 110.015 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -78.43 -5.81 53.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.075 -1.016 . . . . 0.0 112.147 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -67.67 -30.23 69.71 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.1 0.864 . . . . 0.0 109.9 169.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m -102.39 -6.54 22.9 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.87 0.868 . . . . 0.0 112.433 -171.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.604 ' HE3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -155.7 127.87 7.63 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 119.265 0.939 . . . . 0.0 111.478 -174.541 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -73.07 -6.74 47.64 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -170.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -144.08 166.25 25.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 119.823 1.192 . . . . 0.0 108.86 -167.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.604 HD12 ' HE3' ' A' ' 29' ' ' LYS . 5.5 tp -123.97 104.4 8.89 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -65.01 176.61 1.19 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 126.677 1.991 . . . . 0.0 111.858 175.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.43 -61.06 2.87 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.102 0.961 . . . . 0.0 109.083 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 t -44.95 -48.95 11.38 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.452 1.901 . . . . 0.0 111.189 169.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.19 -44.35 76.08 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.578 1.151 . . . . 0.0 110.009 -171.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -48.11 72.71 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.683 173.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -69.29 -23.24 63.8 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.234 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -67.49 -63.31 1.08 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 120.609 1.549 . . . . 0.0 107.553 -171.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.479 HG22 HD22 ' A' ' 46' ' ' LEU . 5.0 mp -64.07 -39.68 86.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.32 -21.61 65.4 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 117.474 -1.251 . . . . 0.0 113.396 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -123.35 23.21 9.11 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.988 1.267 . . . . 0.0 110.733 173.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.42 -54.98 3.77 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -114.63 -88.25 0.57 Allowed 'General case' 0 C--N 1.343 0.302 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.521 -160.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.1 13.67 0.38 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.386 1.875 . . . . 0.0 112.496 -170.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.479 HD22 HG22 ' A' ' 40' ' ' ILE . 6.7 mp -80.44 -175.71 5.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.765 1.626 . . . . 0.0 110.803 -170.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.4 t -129.75 134.66 47.74 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 169.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -48.74 -45.94 40.31 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.336 1.854 . . . . 0.0 111.614 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.7 t -63.68 -28.37 44.84 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 123.833 0.853 . . . . 0.0 110.824 -173.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.21 -39.91 28.17 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.619 1.099 . . . . 0.0 111.086 176.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.87 -38.34 78.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -2.78 2.21 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.462 ' HA ' ' CG ' ' A' ' 56' ' ' GLN . 4.5 mt -119.51 -21.88 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 119.788 1.176 . . . . 0.0 110.323 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.19 -26.17 64.58 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.713 -1.242 . . . . 0.0 112.464 -175.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -78.33 -47.99 16.56 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.359 -0.838 . . . . 0.0 111.761 170.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.462 ' CG ' ' HA ' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -71.04 -35.01 71.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 120.608 -1.307 . . . . 0.0 111.748 -171.357 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -72.54 -15.48 61.77 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 117.621 -1.18 . . . . 0.0 113.118 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 . . . . . 0 C--N 1.346 0.416 0 CA-C-N 120.082 1.31 . . . . 0.0 112.147 -176.056 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.461 0.095 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.98 12.15 1.92 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -117.2 -173.53 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.543 1.137 . . . . 0.0 110.328 -172.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.3 p -132.6 167.16 20.55 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.541 2.336 . . . . 0.0 107.008 -174.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -66.9 -36.96 83.46 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.656 1.116 . . . . 0.0 110.588 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.48 -45.08 92.67 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.101 1.76 . . . . 0.0 111.06 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.78 -21.56 62.48 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 120.744 -1.223 . . . . 0.0 112.789 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -83.42 -9.92 58.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.974 1.31 . . . . 0.0 111.306 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -54.6 6.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 120.892 1.678 . . . . 0.0 108.308 -162.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -57.88 -38.61 76.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.494 1.518 . . . . 0.0 109.518 172.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -50.74 72.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.457 1.503 . . . . 0.0 110.283 -176.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -76.36 -27.65 56.5 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 122.707 0.403 . . . . 0.0 112.079 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -59.79 -31.76 70.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.055 0.942 . . . . 0.0 111.606 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -8.36 56.07 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -89.36 -0.81 57.76 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.629 -1.294 . . . . 0.0 111.678 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -87.0 -47.36 9.01 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.296 0.953 . . . . 0.0 111.167 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 91.7 m -101.61 -8.01 22.21 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -164.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.54 108.96 2.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 125.655 1.582 . . . . 0.0 108.881 -176.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -76.39 35.72 0.15 Allowed 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.549 -0.72 . . . . 0.0 111.885 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -164.54 103.33 0.82 Allowed 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 120.368 -1.457 . . . . 0.0 108.187 -176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.9 mt -70.29 117.86 12.38 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 163.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -131.89 -172.24 2.82 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 131.01 3.724 . . . . 0.0 106.331 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 34' ' ' LEU . 1.7 tm? 49.84 38.09 15.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.572 1.149 . . . . 0.0 112.404 164.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t 48.96 21.88 0.51 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.08 1.352 . . . . 0.0 113.47 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.73 -31.49 71.66 Favored 'General case' 0 CA--C 1.516 -0.358 0 O-C-N 119.758 -1.839 . . . . 0.0 109.091 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -57.65 -34.58 69.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.891 175.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 m -87.93 -6.17 58.18 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 124.851 1.261 . . . . 0.0 110.536 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.65 -51.88 44.75 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 172.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.552 HG23 HD12 ' A' ' 44' ' ' LEU . 3.5 mp -54.15 -42.3 55.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 119.033 0.833 . . . . 0.0 109.734 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.01 -30.02 65.75 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.023 0.929 . . . . 0.0 113.329 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -100.46 -34.94 9.73 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.693 1.133 . . . . 0.0 111.188 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.37 25.53 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -161.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.552 HD12 HG23 ' A' ' 40' ' ' ILE . 11.8 mt -99.69 -88.34 0.34 Allowed 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.81 -169.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -159.46 4.72 0.09 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.378 1.871 . . . . 0.0 112.527 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 46' ' ' LEU . 5.8 mp -94.93 -174.48 3.27 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -163.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -138.64 146.27 41.48 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 174.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -61.86 -34.52 76.15 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 123.573 0.749 . . . . 0.0 111.294 -175.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.6 t -54.94 -45.49 76.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 C-N-CA 124.213 1.005 . . . . 0.0 110.329 172.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -40.89 63.5 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 117.962 0.346 . . . . 0.0 110.115 -175.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.43 -33.71 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.855 0.862 . . . . 0.0 110.276 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -44.65 -45.18 9.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.63 1.572 . . . . 0.0 113.792 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -85.3 -22.12 7.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 O-C-N 121.353 -0.842 . . . . 0.0 110.209 -166.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -58.05 -36.25 72.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.212 -0.93 . . . . 0.0 109.689 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -73.1 -36.14 66.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.311 -0.852 . . . . 0.0 112.101 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -54.16 -39.83 66.91 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 120.213 1.37 . . . . 0.0 110.623 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -67.6 0.29 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.299 1.04 . . . . 0.0 109.277 170.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.0 mmt-85 . . . . . 0 CA--C 1.539 0.545 0 C-N-CA 125.955 1.702 . . . . 0.0 113.773 -179.377 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 110.51 -0.181 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.29 39.86 1.11 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.416 1.486 . . . . 0.0 110.983 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -125.98 -165.29 1.41 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.379 1.472 . . . . 0.0 108.899 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.85 162.68 37.16 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 127.321 2.249 . . . . 0.0 106.281 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -51.72 -33.72 35.74 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 163.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.57 -10.0 53.04 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.359 -0.838 . . . . 0.0 113.115 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -129.44 2.3 5.07 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.483 1.513 . . . . 0.0 112.016 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 mp -95.77 -3.46 45.73 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 126.502 1.921 . . . . 0.0 111.725 170.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -52.84 63.51 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 119.285 0.948 . . . . 0.0 109.283 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.32 -36.9 66.3 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.024 0.93 . . . . 0.0 109.473 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.67 -38.49 70.64 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.898 1.279 . . . . 0.0 110.918 -168.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -80.85 -28.56 36.03 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 118.028 -0.987 . . . . 0.0 111.596 172.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -57.36 -51.34 69.79 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.606 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.07 1.35 0.46 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.958 2.103 . . . . 0.0 114.708 174.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.46 16.47 15.62 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.068 1.347 . . . . 0.0 111.261 173.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -98.85 -41.89 7.42 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.36 0.664 . . . . 0.0 111.66 175.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.3 m -76.49 -26.68 55.56 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.6 1.16 . . . . 0.0 112.593 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.56 171.37 18.24 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.256 1.022 . . . . 0.0 109.3 -164.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -121.54 3.77 10.17 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -163.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -152.57 98.89 2.41 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.774 1.23 . . . . 0.0 107.681 -164.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.05 126.11 28.73 Favored 'General case' 0 C--O 1.238 0.466 0 O-C-N 120.303 -1.498 . . . . 0.0 108.12 174.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.58 -177.34 4.77 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.104 0.962 . . . . 0.0 111.755 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.09 -55.59 33.02 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 126.598 1.959 . . . . 0.0 111.872 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 m -74.77 -38.93 62.04 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.63 -41.65 97.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.917 1.287 . . . . 0.0 109.075 -167.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -71.63 -19.91 62.05 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -80.11 -20.18 45.62 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.267 -0.873 . . . . 0.0 108.834 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -70.09 -43.75 70.45 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 119.03 -1.068 . . . . 0.0 110.387 -163.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.25 -34.87 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.93 -9.7 58.31 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.621 -0.704 . . . . 0.0 112.774 176.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -104.88 -5.32 21.21 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.758 1.223 . . . . 0.0 111.552 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.81 -56.22 2.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.739 1.216 . . . . 0.0 109.095 -171.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -96.93 -89.4 0.27 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 118.496 -1.281 . . . . 0.0 109.172 -162.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.65 15.46 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 131.107 3.763 . . . . 0.0 111.285 -174.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.6 174.76 9.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.029 1.332 . . . . 0.0 109.648 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.3 t -135.83 132.87 37.2 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.473 1.509 . . . . 0.0 110.166 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -57.21 -34.59 68.69 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.114 1.325 . . . . 0.0 114.103 -174.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -54.43 -36.31 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 119.238 0.926 . . . . 0.0 112.393 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -38.51 28.12 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.462 0.573 . . . . 0.0 111.889 173.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.5 t -57.13 -45.57 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -53.67 -21.94 7.92 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.8 mt -97.97 -21.51 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 119.757 1.162 . . . . 0.0 110.554 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -57.06 -32.63 66.42 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 120.721 -1.237 . . . . 0.0 110.129 173.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -63.07 -47.83 81.27 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.516 0.726 . . . . 0.0 110.737 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -31.74 62.65 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 118.667 0.667 . . . . 0.0 111.785 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.05 -54.68 30.39 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.465 0.319 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.34 153.13 96.01 Favored Pre-proline 0 CA--C 1.535 0.393 0 O-C-N 121.334 -0.854 . . . . 0.0 110.568 -174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -81.05 -3.74 12.36 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.326 2.018 . . . . 0.0 112.652 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.9 -116.0 8.67 Favored Glycine 0 CA--C 1.527 0.822 0 O-C-N 120.665 -1.272 . . . . 0.0 112.11 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 81.02 89.79 0.56 Allowed Glycine 0 CA--C 1.523 0.542 0 N-CA-C 108.773 -1.731 . . . . 0.0 108.773 -178.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 79.4 mttt -80.66 74.51 7.58 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.88 0.872 . . . . 0.0 111.438 -177.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.81 112.35 6.17 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 155.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.54 104.66 1.62 Allowed 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.334 -0.854 . . . . 0.0 109.663 175.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -73.61 119.51 17.94 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -76.42 101.84 5.73 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.88 1.218 . . . . 0.0 108.08 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -118.51 11.79 13.03 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.306 1.443 . . . . 0.0 112.555 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -150.07 167.3 27.19 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 120.024 1.283 . . . . 0.0 112.298 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -114.88 30.78 7.11 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.455 2.702 . . . . 0.0 111.087 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -93.03 167.47 11.77 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 167.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.08 162.47 23.45 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 129.282 3.033 . . . . 0.0 106.899 -172.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.6 p -57.23 -25.47 59.16 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.261 0.482 . . . . 0.0 111.142 173.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -79.44 -42.75 24.7 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 121.833 0.825 . . . . 0.0 108.869 -166.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -76.98 -26.29 53.75 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.62 1.968 . . . . 0.0 110.852 172.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.78 -15.86 61.18 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 117.232 -1.366 . . . . 0.0 112.411 177.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.68 -52.51 64.84 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 -167.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -62.16 -37.67 86.13 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 127.706 2.402 . . . . 0.0 110.977 -178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.451 HD22 ' CZ3' ' A' ' 54' ' ' TRP . 0.5 OUTLIER -66.76 -26.43 66.97 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 128.411 2.685 . . . . 0.0 111.827 -177.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -96.35 -34.78 11.44 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 125.549 1.539 . . . . 0.0 110.297 173.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -55.79 -35.55 66.41 Favored 'General case' 0 C--O 1.226 -0.155 0 C-N-CA 125.767 1.627 . . . . 0.0 110.536 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -59.85 -26.98 66.27 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.314 -0.851 . . . . 0.0 112.823 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -63.57 -20.73 65.89 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.521 1.51 . . . . 0.0 112.311 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -84.85 -19.29 32.63 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 118.538 -0.744 . . . . 0.0 110.767 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.0 t -81.67 -48.55 11.55 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.38 0.991 . . . . 0.0 109.883 172.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.63 158.63 41.42 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 124.769 1.228 . . . . 0.0 109.232 -166.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.58 4.47 49.24 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.645 1.111 . . . . 0.0 112.231 177.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -153.43 147.62 25.73 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 119.662 -1.899 . . . . 0.0 108.775 -170.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.722 HD13 ' HD2' ' A' ' 37' ' ' ARG . 7.1 mt -130.09 98.11 4.65 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.47 -1.678 . . . . 0.0 106.47 -172.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.86 171.74 1.56 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 125.832 1.653 . . . . 0.0 111.015 173.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.28 -46.09 91.04 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.923 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.4 m -61.44 -34.15 74.92 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.55 1.14 . . . . 0.0 111.665 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -79.49 -43.96 22.18 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -174.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.722 ' HD2' HD13 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -60.19 -35.26 74.98 Favored 'General case' 0 C--O 1.24 0.553 0 O-C-N 120.775 -1.203 . . . . 0.0 110.647 178.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 14.3 p -74.57 -10.45 59.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 117.348 -1.31 . . . . 0.0 111.992 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -67.78 -70.16 0.27 Allowed 'General case' 0 C--N 1.345 0.372 0 CA-C-N 120.458 1.481 . . . . 0.0 109.013 174.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mt -54.15 -42.43 55.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 119.887 1.222 . . . . 0.0 111.271 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.06 -36.29 67.9 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 118.863 0.756 . . . . 0.0 111.541 -178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -94.9 -3.51 48.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.44 1.896 . . . . 0.0 111.214 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.45 -27.8 27.27 Favored 'General case' 0 CA--C 1.51 -0.584 0 O-C-N 120.216 -1.553 . . . . 0.0 109.038 -173.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -121.37 -88.45 0.62 Allowed 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 118.777 -0.63 . . . . 0.0 110.004 -177.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.96 10.92 0.14 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.965 1.706 . . . . 0.0 111.497 -172.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.1 mp -85.78 175.0 8.94 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.52 -1.363 . . . . 0.0 110.517 -162.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.61 116.43 26.6 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.586 1.555 . . . . 0.0 107.638 -173.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -56.56 -24.19 45.46 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.099 0.863 . . . . 0.0 112.259 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 98.0 t -57.67 -53.83 39.43 Favored 'Isoleucine or valine' 0 C--N 1.34 0.166 0 O-C-N 121.178 -0.951 . . . . 0.0 109.466 170.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -35.43 78.56 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 118.495 -0.764 . . . . 0.0 110.866 -178.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.443 HG11 ' NE ' ' A' ' 37' ' ' ARG . 85.5 t -54.16 -38.71 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 CA-C-N 119.014 0.825 . . . . 0.0 109.886 179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -49.88 -49.93 47.66 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.607 1.163 . . . . 0.0 111.166 175.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.26 -21.75 8.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 124.275 1.03 . . . . 0.0 110.796 -177.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.451 ' CZ3' HD22 ' A' ' 22' ' ' LEU . 17.4 t90 -58.4 -38.89 78.3 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.51 -1.368 . . . . 0.0 109.186 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -64.36 -21.33 66.59 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.64 -12.06 41.97 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 120.205 1.366 . . . . 0.0 111.342 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 59.9 m-80 -91.86 -17.89 24.61 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 124.418 1.087 . . . . 0.0 112.478 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.72 13.82 0.45 Allowed 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 116.16 1.911 . . . . 0.0 116.16 -167.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -116.67 -15.03 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 124.291 1.037 . . . . 0.0 112.466 176.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.21 -43.11 92.57 Favored 'General case' 0 C--N 1.339 0.143 0 CA-C-N 118.583 0.628 . . . . 0.0 110.419 -170.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -44.67 -63.75 0.84 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.378 1.871 . . . . 0.0 112.099 -169.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -72.02 -27.01 62.44 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-O 117.796 -1.097 . . . . 0.0 111.669 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -72.27 -21.73 61.33 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 120.604 1.547 . . . . 0.0 112.69 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -54.64 -47.98 72.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.163 0.985 . . . . 0.0 110.609 166.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 17.8 mt -82.49 -57.7 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 C-N-CA 124.422 1.089 . . . . 0.0 108.436 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -75.74 48.48 0.47 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.636 2.374 . . . . 0.0 109.856 176.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.42 102.76 4.54 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 105.492 -2.04 . . . . 0.0 105.492 167.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.89 175.85 41.42 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.232 -1.147 . . . . 0.0 110.232 -169.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -133.28 -174.89 3.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.135 0.974 . . . . 0.0 110.409 -167.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.2 t -125.94 149.43 30.75 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 C-N-CA 126.169 1.787 . . . . 0.0 107.852 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.7 t . . . . . 0 C--O 1.243 0.716 0 N-CA-C 105.64 -1.985 . . . . 0.0 105.64 163.089 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 119.024 -0.512 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.24 85.97 1.49 Allowed Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 126.683 1.993 . . . . 0.0 110.706 -163.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -67.73 -21.42 45.02 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.873 2.382 . . . . 0.0 115.082 -165.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.95 -165.42 48.67 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 -165.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.02 90.22 0.5 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 109.157 -1.577 . . . . 0.0 109.157 169.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.0 mttp -126.4 93.62 3.85 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 118.536 1.168 . . . . 0.0 109.566 175.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.33 159.42 26.8 Favored 'General case' 0 C--O 1.241 0.61 0 C-N-CA 126.587 1.955 . . . . 0.0 110.858 169.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.3 tmm_? -88.26 125.79 34.83 Favored 'General case' 0 CA--C 1.519 -0.217 0 C-N-CA 123.493 0.717 . . . . 0.0 109.34 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.1 mtt85 -103.37 157.9 16.71 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 123.72 0.808 . . . . 0.0 110.041 170.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.8 ttt85 -119.53 85.37 2.36 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.106 1.762 . . . . 0.0 107.986 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 tpp85 -77.04 51.98 0.85 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.406 ' HA ' HE22 ' A' ' 50' ' ' GLN . 5.5 m -123.43 144.28 49.6 Favored 'General case' 0 C--O 1.232 0.141 0 C-N-CA 123.617 0.767 . . . . 0.0 110.065 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.58 101.24 2.93 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 126.499 1.919 . . . . 0.0 106.541 166.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -129.24 -164.86 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 126.841 2.056 . . . . 0.0 108.005 169.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.3 p -140.47 157.49 45.43 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 126.957 2.103 . . . . 0.0 106.083 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.11 -29.43 68.6 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.578 1.536 . . . . 0.0 111.792 174.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -23.62 51.15 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 126.301 1.84 . . . . 0.0 112.465 172.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -117.65 0.25 12.01 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.968 1.707 . . . . 0.0 111.279 -174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.8 mt -101.08 -4.13 27.96 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.892 1.277 . . . . 0.0 110.545 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.54 -59.66 2.71 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 122.517 1.151 . . . . 0.0 109.521 -163.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -69.53 -37.22 77.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 126.911 2.084 . . . . 0.0 109.478 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 tp -63.1 -36.86 84.99 Favored 'General case' 0 N--CA 1.441 -0.9 0 C-N-CA 126.211 1.805 . . . . 0.0 110.749 -175.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -82.14 -30.1 31.28 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 117.936 -1.031 . . . . 0.0 112.435 172.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 tpmt? -57.05 -43.83 82.37 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.47 -33.94 70.32 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.316 1.847 . . . . 0.0 112.908 176.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.17 4.67 33.42 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 118.692 0.678 . . . . 0.0 112.757 -171.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 24.6 t-80 -105.97 -58.64 1.88 Allowed 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.821 0.848 . . . . 0.0 109.885 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.6 m -67.69 -20.3 65.27 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 125.094 1.357 . . . . 0.0 112.927 -174.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.34 125.27 9.87 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -170.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -89.93 8.13 33.83 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.613 0.765 . . . . 0.0 112.694 -161.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.6 p90 -149.48 141.21 23.58 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 171.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.1 tp -101.31 108.28 19.87 Favored 'General case' 0 N--CA 1.446 -0.638 0 N-CA-C 104.839 -2.282 . . . . 0.0 104.839 173.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.8 m -79.32 176.22 9.88 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.86 -42.28 89.02 Favored 'General case' 0 CA--C 1.532 0.254 0 O-C-N 121.588 -0.695 . . . . 0.0 112.013 -167.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 t -64.65 -41.59 96.02 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.609 0.64 . . . . 0.0 110.137 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -70.74 -42.17 70.87 Favored 'General case' 0 CA--C 1.521 -0.167 0 O-C-N 121.114 -0.991 . . . . 0.0 109.257 -179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -65.87 -32.04 73.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 122.126 -0.359 . . . . 0.0 111.319 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 p -80.23 -18.41 49.55 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 117.301 -1.333 . . . . 0.0 112.577 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.34 -59.7 4.93 Favored 'General case' 0 C--N 1.343 0.322 0 CA-C-N 120.015 1.279 . . . . 0.0 109.91 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.1 mp -50.92 -37.06 16.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 C-N-CA 123.301 0.64 . . . . 0.0 111.787 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.18 -22.21 62.66 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.652 -177.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -131.62 -7.15 3.66 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 119.806 1.185 . . . . 0.0 113.819 -179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -83.03 -32.01 27.12 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.4 mt -110.29 -89.15 0.49 Allowed 'General case' 0 C--N 1.35 0.596 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.837 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.35 1.79 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.387 1.875 . . . . 0.0 113.606 -165.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -82.72 -173.39 4.62 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -169.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.8 t -144.43 152.34 40.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.025 -1.047 . . . . 0.0 108.86 173.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -62.78 -36.85 84.46 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -161.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 92.4 t -68.12 -42.83 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-N 120.381 1.446 . . . . 0.0 109.276 177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.406 HE22 ' HA ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -57.29 -40.68 78.31 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 123.027 0.531 . . . . 0.0 110.18 178.532 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 73.0 t -69.22 -48.32 69.15 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 126.196 1.798 . . . . 0.0 108.47 179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -46.22 -42.91 14.91 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.431 1.492 . . . . 0.0 112.973 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.0 mt -79.84 -21.55 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.587 -0.696 . . . . 0.0 111.474 -176.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -62.6 -30.33 71.26 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 120.164 -1.585 . . . . 0.0 110.097 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -62.07 -35.14 77.75 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.587 0.755 . . . . 0.0 112.201 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.94 -37.43 74.1 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.74 1.216 . . . . 0.0 110.173 174.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -78.48 -46.59 19.31 Favored 'General case' 0 C--O 1.23 0.056 0 O-C-N 121.721 -0.612 . . . . 0.0 110.16 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.01 8.0 0.24 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -175.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 18.8 ptt180 -112.8 9.26 19.03 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 120.544 1.52 . . . . 0.0 113.216 172.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.11 -24.75 15.6 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.278 0.945 . . . . 0.0 113.529 -172.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -44.8 -52.62 8.29 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.595 1.558 . . . . 0.0 112.83 -170.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -64.15 -57.91 8.17 Favored 'General case' 0 C--O 1.225 -0.185 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -52.79 -40.72 63.48 Favored 'General case' 0 C--O 1.221 -0.417 0 C-N-CA 125.061 1.345 . . . . 0.0 112.505 -175.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.23 -17.15 57.52 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -178.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 39.2 mt -100.24 -52.59 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 169.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 tmtt? -72.3 42.15 0.09 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 128.032 2.533 . . . . 0.0 111.808 -177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -130.25 124.09 31.65 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 126.673 1.989 . . . . 0.0 107.654 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.55 67.29 0.96 Allowed Glycine 0 CA--C 1.518 0.26 0 N-CA-C 109.703 -1.359 . . . . 0.0 109.703 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -148.81 162.53 39.61 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 124.528 1.131 . . . . 0.0 108.863 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.8 t -68.57 145.27 13.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 159.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.7 t . . . . . 0 C--O 1.246 0.896 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 -179.078 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.62 165.18 15.78 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 124.656 1.182 . . . . 0.0 111.164 173.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.9 162.41 19.01 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 123.028 2.485 . . . . 0.0 113.224 177.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.61 -55.69 2.94 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 126.513 2.006 . . . . 0.0 114.146 170.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 124.15 -118.27 3.37 Favored Glycine 0 CA--C 1.522 0.509 0 CA-C-N 119.098 1.449 . . . . 0.0 109.718 -171.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.58 97.39 4.52 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.452 1.126 . . . . 0.0 111.082 -159.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.1 m -87.31 161.49 17.92 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.301 0.572 . . . . 0.0 110.968 170.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -53.88 109.03 0.41 Allowed 'General case' 0 C--O 1.232 0.151 0 C-N-CA 125.497 1.519 . . . . 0.0 109.712 160.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -117.46 100.66 7.8 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -59.06 111.37 1.29 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.247 -2.131 . . . . 0.0 105.247 164.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -111.73 6.24 19.66 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 125.659 1.584 . . . . 0.0 110.581 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.52 157.58 44.95 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 107.228 -1.397 . . . . 0.0 107.228 178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.42 14.58 20.34 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 124.487 1.115 . . . . 0.0 111.912 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -84.45 175.41 9.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.677 0.751 . . . . 0.0 109.094 176.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.503 ' H ' ' HB2' ' A' ' 18' ' ' GLN . 60.4 p -136.7 168.57 19.26 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 126.818 2.047 . . . . 0.0 108.398 -171.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.81 -40.2 63.08 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 123.909 0.883 . . . . 0.0 111.345 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -72.45 -37.67 68.49 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.826 0.739 . . . . 0.0 111.13 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.503 ' HB2' ' H ' ' A' ' 15' ' ' THR . 38.6 mt-30 -70.6 0.69 6.35 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.334 -0.854 . . . . 0.0 112.535 -176.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD23 HD23 ' A' ' 22' ' ' LEU . 24.0 mt -113.56 0.06 14.53 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.896 1.678 . . . . 0.0 111.99 -178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.69 -27.24 63.85 Favored 'General case' 0 C--N 1.344 0.345 0 C-N-CA 124.592 1.157 . . . . 0.0 112.706 -168.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -106.43 -26.2 11.56 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.604 1.562 . . . . 0.0 109.693 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.406 HD23 HD23 ' A' ' 19' ' ' LEU . 23.0 tp -69.27 -55.37 10.71 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 126.553 1.941 . . . . 0.0 108.511 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.95 -37.04 85.48 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.715 0.689 . . . . 0.0 111.017 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.18 -58.24 9.06 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 125.673 1.589 . . . . 0.0 110.541 -179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.67 -42.25 99.52 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.0 -10.96 44.44 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -175.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -63.06 -49.11 75.84 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 119.238 0.926 . . . . 0.0 110.2 169.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.9 m -73.98 -24.17 59.56 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.566 1.147 . . . . 0.0 112.029 -174.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.93 117.33 6.96 Favored 'General case' 0 CA--C 1.517 -0.296 0 C-N-CA 124.303 1.041 . . . . 0.0 110.086 -166.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -71.15 3.62 3.39 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -155.11 171.74 19.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 120.468 1.485 . . . . 0.0 108.51 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 mp -113.09 112.97 24.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 126.012 1.725 . . . . 0.0 108.543 -174.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 m -72.19 40.96 0.08 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.506 1.922 . . . . 0.0 113.27 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 67.28 -67.02 0.18 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 127.856 2.462 . . . . 0.0 114.564 174.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -55.61 -32.66 63.31 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.161 1.346 . . . . 0.0 109.932 171.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -62.34 -27.21 68.9 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.349 1.459 . . . . 0.0 110.176 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -68.46 -40.61 81.0 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.8 -0.563 . . . . 0.0 111.672 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.57 -20.29 65.98 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 118.559 -0.734 . . . . 0.0 111.36 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -63.08 -61.13 2.59 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 118.685 0.675 . . . . 0.0 109.923 -171.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.408 HG23 HD12 ' A' ' 44' ' ' LEU . 3.9 mp -63.36 -40.22 88.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.62 -16.71 63.98 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -108.95 -7.07 15.47 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.414 1.085 . . . . 0.0 112.102 172.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -93.06 -37.24 12.27 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 121.182 1.81 . . . . 0.0 110.313 -171.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.408 HD12 HG23 ' A' ' 40' ' ' ILE . 60.3 mt -108.02 -85.72 0.52 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -163.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 174.94 28.89 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 129.317 3.047 . . . . 0.0 110.818 -173.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 mp -94.68 -179.05 4.74 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 107.719 -1.215 . . . . 0.0 107.719 176.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.7 m -127.46 134.43 49.84 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 124.658 1.183 . . . . 0.0 108.802 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -50.18 -48.24 54.2 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.427 1.091 . . . . 0.0 112.073 -172.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 69.8 t -59.68 -40.72 83.06 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.237 0 C-N-CA 123.661 0.784 . . . . 0.0 110.574 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -40.36 91.72 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 121.77 -0.581 . . . . 0.0 110.261 179.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.4 t -63.88 -38.96 83.74 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 175.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -57.21 -7.6 0.57 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.598 1.959 . . . . 0.0 113.307 176.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.0 mt -116.81 -29.72 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 119.407 1.003 . . . . 0.0 110.939 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.3 t90 -55.38 -43.34 75.07 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 120.015 1.279 . . . . 0.0 110.118 -174.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -81.47 -28.64 34.03 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 121.578 -0.049 . . . . 0.0 111.016 177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.6 -38.38 71.96 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.125 1.37 . . . . 0.0 110.221 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -69.25 -4.73 19.0 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.864 1.265 . . . . 0.0 112.909 176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -114.18 0.62 14.29 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.889 1.676 . . . . 0.0 109.881 176.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -90.51 -54.27 4.07 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.022 1.283 . . . . 0.0 110.097 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.58 -5.13 46.4 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.361 -0.352 . . . . 0.0 111.73 -172.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -44.52 -61.22 1.62 Allowed 'General case' 0 C--O 1.226 -0.16 0 C-N-CA 126.3 1.84 . . . . 0.0 111.316 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -69.84 -41.68 74.61 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 119.639 1.108 . . . . 0.0 110.156 -175.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.6 mptt -46.97 -56.48 6.33 Favored 'General case' 0 C--O 1.226 -0.137 0 C-N-CA 125.604 1.561 . . . . 0.0 110.792 176.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -27.43 68.44 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 -172.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 69.2 mt -89.85 -17.33 8.09 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 125.544 1.538 . . . . 0.0 109.851 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -111.63 32.55 5.33 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 126.597 1.959 . . . . 0.0 110.57 -174.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.42 109.06 13.91 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 127.288 2.235 . . . . 0.0 107.413 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.71 -140.49 6.46 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 106.61 -2.596 . . . . 0.0 106.61 -169.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -125.97 177.14 6.51 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 118.917 1.358 . . . . 0.0 108.809 160.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.24 178.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 127.541 2.336 . . . . 0.0 109.153 169.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.251 1.182 0 CA-C-O 117.587 -1.197 . . . . 0.0 107.971 153.168 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.473 0.705 0 CA-C-O 119.307 -0.378 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.46 66.88 2.21 Favored Pre-proline 0 CA--C 1.542 0.643 0 C-N-CA 125.179 1.391 . . . . 0.0 109.33 164.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -62.22 139.35 77.35 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 122.455 2.104 . . . . 0.0 111.678 -170.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.69 93.27 0.55 Allowed Glycine 0 CA--C 1.523 0.588 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.11 -55.55 0.03 OUTLIER Glycine 0 CA--C 1.524 0.619 0 C-N-CA 125.239 1.4 . . . . 0.0 110.191 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -79.32 153.81 29.56 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.028 0.914 . . . . 0.0 110.149 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.1 t -87.01 118.95 26.73 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 124.761 1.225 . . . . 0.0 108.037 172.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.98 173.26 10.94 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.501 -0.749 . . . . 0.0 109.905 169.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.7 mtm-85 -112.48 124.51 52.67 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 140.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -78.0 91.56 4.25 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 174.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -136.84 6.67 2.93 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 124.804 1.242 . . . . 0.0 110.885 -171.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 30.3 m -129.9 130.11 44.74 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 119.613 1.097 . . . . 0.0 108.95 -176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.2 57.81 3.52 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.501 1.12 . . . . 0.0 109.128 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -131.66 160.33 35.71 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 123.635 0.774 . . . . 0.0 109.674 165.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.0 p -107.94 165.3 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 125.363 1.465 . . . . 0.0 110.046 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.48 -16.41 63.88 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 -175.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -85.47 -43.79 13.28 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.698 1.199 . . . . 0.0 110.263 171.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -66.08 -29.63 70.0 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.811 -0.555 . . . . 0.0 111.374 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 mt -78.69 -17.13 56.4 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 118.189 -0.91 . . . . 0.0 111.831 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.46 -46.42 76.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 119.023 0.828 . . . . 0.0 109.408 -165.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -66.41 -42.9 87.14 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.792 2.037 . . . . 0.0 110.555 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.32 -44.94 92.52 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.579 1.151 . . . . 0.0 110.569 177.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -73.96 -33.17 63.78 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 123.484 0.713 . . . . 0.0 111.813 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -64.92 -61.11 2.37 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 124.794 1.238 . . . . 0.0 109.006 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -61.13 -14.67 26.2 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 117.474 -1.25 . . . . 0.0 111.903 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -21.06 65.94 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 122.262 2.301 . . . . 0.0 112.278 171.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -66.58 -36.05 81.7 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.266 1.026 . . . . 0.0 110.738 169.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -83.8 -32.77 25.16 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.534 0.733 . . . . 0.0 111.738 -173.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.532 ' HE3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -166.1 155.52 11.78 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.099 1.36 . . . . 0.0 109.139 -161.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.6 6.16 11.04 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -159.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.445 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 8.8 p90 -132.94 -163.86 1.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 127.284 2.234 . . . . 0.0 106.916 -174.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD12 ' HE3' ' A' ' 29' ' ' LYS . 1.7 tp -153.8 94.78 1.8 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 105.715 -1.958 . . . . 0.0 105.715 163.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.0 m -156.16 178.87 9.8 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 125.017 1.327 . . . . 0.0 109.994 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mp 58.39 -86.29 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 129.374 3.07 . . . . 0.0 111.402 -175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t -97.2 -15.11 21.03 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.958 0.799 . . . . 0.0 109.279 177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -97.67 -35.94 10.42 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 118.41 -0.805 . . . . 0.0 113.076 -155.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -58.66 -48.51 80.81 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.5 p -74.89 3.27 8.49 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.391 1.077 . . . . 0.0 112.784 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -78.23 -84.43 0.08 Allowed 'General case' 0 C--N 1.343 0.316 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 164.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mp -59.59 -38.04 73.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 CA-C-N 118.66 0.663 . . . . 0.0 109.943 -171.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.86 -24.32 66.84 Favored 'General case' 0 C--N 1.345 0.378 0 CA-C-O 117.578 -1.201 . . . . 0.0 112.252 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -113.31 10.79 18.49 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.866 1.212 . . . . 0.0 110.796 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -96.87 -46.61 6.17 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 119.262 0.937 . . . . 0.0 108.957 -174.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 mt -117.96 -88.93 0.6 Allowed 'General case' 0 C--N 1.344 0.362 0 C-N-CA 119.003 -1.079 . . . . 0.0 111.532 -166.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.497 ' H ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -158.45 39.43 0.24 Allowed 'General case' 0 C--O 1.239 0.537 0 C-N-CA 126.124 1.769 . . . . 0.0 110.717 -172.326 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 45' ' ' LYS . 6.2 mp -106.47 177.01 4.98 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 124.257 1.023 . . . . 0.0 109.017 -177.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.3 m -142.22 133.08 25.71 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.247 1.419 . . . . 0.0 107.243 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -52.42 -36.35 54.15 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.788 0.835 . . . . 0.0 112.4 -173.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 60.6 t -63.97 -48.44 86.04 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 123.309 0.643 . . . . 0.0 110.076 177.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -39.56 91.69 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.615 0.643 . . . . 0.0 110.332 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 85.8 t -63.32 -33.07 58.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 125.077 1.351 . . . . 0.0 109.709 177.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 ttpt -56.88 -44.1 81.94 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 121.093 -1.004 . . . . 0.0 110.953 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.4 mp -73.63 -22.36 18.82 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 118.38 0.536 . . . . 0.0 110.298 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.9 t90 -63.9 -34.22 77.47 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.322 -1.486 . . . . 0.0 110.074 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-30 -60.71 -47.55 85.76 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-O 119.339 -0.362 . . . . 0.0 110.059 172.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.09 -45.28 61.42 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.965 1.706 . . . . 0.0 109.992 177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -63.53 -37.46 87.39 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.265 -0.897 . . . . 0.0 110.628 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -78.51 20.78 0.41 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.914 0.885 . . . . 0.0 112.981 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.7 mtp85 -114.48 -49.43 2.83 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 120.429 1.468 . . . . 0.0 111.443 170.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.47 -5.22 59.31 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 124.274 1.03 . . . . 0.0 111.976 -167.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -52.48 -62.13 1.83 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.152 0.981 . . . . 0.0 110.599 177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -68.68 -39.24 80.68 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 118.224 0.466 . . . . 0.0 111.131 -174.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.69 -34.97 73.57 Favored 'General case' 0 C--O 1.221 -0.442 0 CA-C-O 117.416 -1.278 . . . . 0.0 111.805 -176.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -60.95 -8.86 3.48 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 121.195 1.816 . . . . 0.0 114.835 173.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.7 mt -107.34 -41.79 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 125.575 1.55 . . . . 0.0 108.364 171.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -78.59 -13.28 59.91 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.848 1.659 . . . . 0.0 113.411 -173.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.52 85.43 2.26 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 120.792 1.633 . . . . 0.0 109.583 -167.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.77 174.56 28.53 Favored Glycine 0 CA--C 1.525 0.713 0 O-C-N 123.983 0.802 . . . . 0.0 111.671 170.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -158.4 162.7 37.63 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 126.148 1.779 . . . . 0.0 108.348 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.47 121.1 8.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 161.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.243 0.729 0 C-N-CA 124.753 1.221 . . . . 0.0 109.391 -177.913 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.2 t . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.51 148.79 85.63 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.202 178.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -69.82 -18.33 36.79 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.877 2.384 . . . . 0.0 112.085 179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.13 -79.1 0.21 Allowed Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 108.269 -1.932 . . . . 0.0 108.269 174.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 56.42 37.52 74.9 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.921 0.772 . . . . 0.0 113.834 172.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -136.19 150.95 49.24 Favored 'General case' 0 C--O 1.233 0.206 0 C-N-CA 124.988 1.315 . . . . 0.0 109.68 -177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.9 p -66.17 100.14 0.58 Allowed 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.995 1.318 . . . . 0.0 107.822 167.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -146.75 177.3 9.21 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.507 1.123 . . . . 0.0 110.709 -170.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -128.06 110.47 12.52 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.07 1.348 . . . . 0.0 108.54 -179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -68.58 88.36 0.34 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 167.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -134.21 20.7 3.72 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.418 1.487 . . . . 0.0 110.41 168.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.0 m -132.63 150.96 52.08 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 124.718 1.207 . . . . 0.0 108.431 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.16 55.91 0.67 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.146 1.378 . . . . 0.0 110.121 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -126.67 175.05 8.25 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 125.562 1.545 . . . . 0.0 108.506 167.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 42.3 p -111.28 172.44 6.88 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.966 1.306 . . . . 0.0 109.578 -172.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -34.12 67.79 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.866 -1.146 . . . . 0.0 111.823 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -66.45 -47.46 73.07 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.351 1.06 . . . . 0.0 110.606 175.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.428 ' HA ' HD13 ' A' ' 44' ' ' LEU . 33.3 mt-30 -58.51 -33.1 69.47 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.121 0.486 . . . . 0.0 110.454 -178.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mp -71.08 19.92 0.05 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.784 2.033 . . . . 0.0 113.131 172.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.31 -61.47 1.93 Allowed 'General case' 0 CA--C 1.522 -0.127 0 CA-C-N 120.284 1.402 . . . . 0.0 108.804 162.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -68.35 -37.81 80.87 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 122.244 1.021 . . . . 0.0 109.072 -171.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.64 -25.17 67.24 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.925 1.29 . . . . 0.0 111.552 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -89.94 -30.35 17.89 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.053 0.941 . . . . 0.0 111.744 174.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.6 tttp -62.74 -53.32 56.23 Favored 'General case' 0 C--O 1.235 0.303 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.0 0.63 3.34 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.328 1.451 . . . . 0.0 113.308 -177.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -113.96 -2.6 13.52 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.07 1.348 . . . . 0.0 112.634 173.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -98.07 -49.66 4.67 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 123.917 0.887 . . . . 0.0 109.759 173.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.3 m -71.38 -21.31 62.03 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.48 0.657 . . . . 0.0 110.257 -172.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.42 162.98 40.72 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 126.549 1.94 . . . . 0.0 108.76 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.41 13.94 13.65 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.125 0.57 . . . . 0.0 111.822 -176.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.6 p90 -153.41 112.41 3.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 120.792 -1.193 . . . . 0.0 108.016 -172.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.5 mt -79.96 103.65 10.0 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 121.219 -0.925 . . . . 0.0 108.566 177.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.4 m -76.94 91.88 3.63 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.564 0.746 . . . . 0.0 109.379 172.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 44.64 -76.6 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 129.566 3.146 . . . . 0.0 115.985 170.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.2 t -50.26 -39.14 44.14 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.73 1.15 . . . . 0.0 110.617 174.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -66.06 -26.18 67.38 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.142 -0.973 . . . . 0.0 108.833 -175.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -72.43 -56.79 4.86 Favored 'General case' 0 N--CA 1.447 -0.618 0 O-C-N 120.768 -1.207 . . . . 0.0 109.468 172.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.7 m -62.07 -18.48 60.82 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.812 1.042 . . . . 0.0 113.812 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -65.01 -68.44 0.36 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.715 1.606 . . . . 0.0 109.36 -171.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mp -61.17 -30.71 48.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.78 -1.81 4.31 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.135 1.374 . . . . 0.0 114.485 176.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 18.7 p-80 -129.63 -10.41 4.5 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 120.745 1.612 . . . . 0.0 112.559 163.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.47 -31.65 42.46 Favored 'General case' 0 N--CA 1.445 -0.712 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -172.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 18' ' ' GLN . 12.5 mt -109.11 -88.37 0.49 Allowed 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 117.909 -1.043 . . . . 0.0 113.063 -168.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -175.78 41.29 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 1 C-N-CA 133.573 4.749 . . . . 0.0 107.976 -170.51 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.414 ' CD1' HE21 ' A' ' 18' ' ' GLN . 6.2 mp -119.26 166.99 12.3 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 119.766 -1.834 . . . . 0.0 109.07 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.9 t -133.42 140.33 47.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 175.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -54.31 -40.32 67.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.509 1.123 . . . . 0.0 111.498 -175.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.2 p -54.94 -39.63 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 C-N-CA 124.616 1.166 . . . . 0.0 111.851 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.54 -38.39 40.59 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 118.469 0.577 . . . . 0.0 109.995 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.62 -39.16 80.58 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 C-N-CA 123.828 0.851 . . . . 0.0 110.784 -177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.9 pttp -59.17 -26.61 64.93 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.74 1.154 . . . . 0.0 112.344 -177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.7 mt -85.05 -21.62 7.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.307 1.043 . . . . 0.0 110.289 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -59.32 -39.91 84.6 Favored 'General case' 0 C--O 1.233 0.212 0 O-C-N 120.492 -1.38 . . . . 0.0 109.233 172.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -66.23 -37.5 85.68 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 119.572 -0.251 . . . . 0.0 110.856 176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -40.67 63.91 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.231 1.012 . . . . 0.0 110.225 176.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -74.33 -52.81 11.14 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 124.029 0.932 . . . . 0.0 110.566 176.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.5 ttt85 -70.26 6.48 1.31 Allowed 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.037 -1.039 . . . . 0.0 113.496 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -102.48 0.26 33.42 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.153 1.381 . . . . 0.0 112.422 173.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.69 -10.65 24.61 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 121.192 -0.942 . . . . 0.0 113.157 -166.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -53.07 -48.37 67.75 Favored 'General case' 0 C--O 1.223 -0.305 0 C-N-CA 123.542 0.737 . . . . 0.0 112.109 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.8 m-90 -71.58 -39.67 70.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 119.239 0.927 . . . . 0.0 109.942 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -47.86 78.67 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 123.902 0.881 . . . . 0.0 111.501 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.07 -23.61 67.39 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -176.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 64.3 mt -90.72 -52.51 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -75.55 42.93 0.23 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.549 1.94 . . . . 0.0 109.272 172.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.66 115.45 28.06 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 126.223 1.809 . . . . 0.0 107.001 -176.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.76 63.95 0.22 Allowed Glycine 0 CA--C 1.522 0.469 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -72.66 178.44 4.13 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 117.685 0.743 . . . . 0.0 109.961 164.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.4 p -144.26 170.63 8.08 Favored 'Isoleucine or valine' 0 C--O 1.241 0.628 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 150.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.251 1.152 0 CA-C-O 116.165 -1.874 . . . . 0.0 107.299 -177.337 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.9 85.03 50.3 Favored Pre-proline 0 C--O 1.236 0.382 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 173.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.53 159.8 34.8 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 121.765 1.643 . . . . 0.0 109.904 166.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.17 -163.5 32.09 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 124.51 1.052 . . . . 0.0 110.832 -172.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 71.4 75.33 0.65 Allowed Glycine 0 N--CA 1.449 -0.454 0 N-CA-C 108.938 -1.665 . . . . 0.0 108.938 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -131.53 126.34 34.65 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 171.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 m -142.26 136.01 29.38 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.728 0.811 . . . . 0.0 109.503 -174.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 127.89 33.78 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 125.614 1.566 . . . . 0.0 109.078 176.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.3 147.83 21.19 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.829 2.052 . . . . 0.0 107.655 178.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -71.19 87.6 0.8 Allowed 'General case' 0 C--O 1.236 0.343 0 CA-C-N 119.373 0.988 . . . . 0.0 109.213 171.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -133.44 34.45 3.49 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.227 0.611 . . . . 0.0 110.788 174.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.0 m -58.61 131.08 49.75 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 121.622 -0.674 . . . . 0.0 111.971 -177.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -133.73 92.77 3.02 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 126.371 1.868 . . . . 0.0 106.539 169.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -124.08 -172.05 2.46 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 166.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.51 152.38 41.41 Favored 'General case' 0 CA--C 1.515 -0.386 0 C-N-CA 124.533 1.133 . . . . 0.0 109.017 -172.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -54.58 -4.35 0.06 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 128.312 2.645 . . . . 0.0 114.57 166.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -94.61 -24.84 17.03 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 168.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -100.81 -21.66 15.09 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 125.878 1.671 . . . . 0.0 111.407 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.6 mt -69.91 -16.94 63.3 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 116.727 -1.606 . . . . 0.0 112.669 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.0 -48.51 79.8 Favored 'General case' 0 C--N 1.348 0.532 0 CA-C-N 120.866 1.666 . . . . 0.0 110.598 -173.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -73.02 -29.49 63.05 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.853 1.261 . . . . 0.0 110.113 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.72 -57.16 8.7 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 124.924 1.29 . . . . 0.0 108.846 175.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -67.98 -23.8 65.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.591 1.556 . . . . 0.0 112.078 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.69 -58.14 7.09 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -62.77 -40.38 97.11 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -62.01 -18.4 60.41 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 118.282 -0.866 . . . . 0.0 113.133 176.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -73.44 -27.32 61.36 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 120.15 1.341 . . . . 0.0 111.521 174.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.3 m -110.94 -19.98 12.6 Favored 'General case' 0 C--O 1.233 0.192 0 C-N-CA 124.466 1.106 . . . . 0.0 111.05 -166.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HD3' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -147.48 136.67 22.39 Favored 'General case' 0 CA--C 1.511 -0.554 0 O-C-N 121.457 -0.777 . . . . 0.0 109.077 171.256 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.19 -9.93 59.69 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 123.764 0.826 . . . . 0.0 111.912 177.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.2 p90 -146.59 120.81 9.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.506 1.522 . . . . 0.0 108.319 -174.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.477 HD23 ' HD3' ' A' ' 29' ' ' LYS . 65.9 mt -84.35 117.19 23.44 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 126.422 1.889 . . . . 0.0 108.642 178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.0 m -87.37 59.63 5.63 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.742 0.782 . . . . 0.0 112.458 -170.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tt 72.89 -56.0 0.67 Allowed 'General case' 0 C--N 1.342 0.245 0 C-N-CA 128.635 2.774 . . . . 0.0 111.325 173.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 98.9 m -60.88 -40.57 93.53 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 126.177 1.791 . . . . 0.0 111.53 177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -80.62 -27.26 37.35 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 125.242 1.417 . . . . 0.0 109.1 -171.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.26 -35.65 81.52 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 121.567 -0.708 . . . . 0.0 109.736 167.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -85.13 22.1 1.52 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.775 1.23 . . . . 0.0 110.978 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 53.4 mm-40 -88.55 -80.29 0.29 Allowed 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 161.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.507 HD12 ' H ' ' A' ' 40' ' ' ILE . 3.7 mp -53.5 -44.91 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 C-N-CA 123.815 0.846 . . . . 0.0 111.185 -167.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.12 -14.39 36.35 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -125.99 16.87 7.92 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 119.188 0.904 . . . . 0.0 110.98 175.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -119.0 -38.73 3.02 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 124.199 1.0 . . . . 0.0 112.035 -174.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.7 mt -111.83 -89.73 0.51 Allowed 'General case' 0 C--N 1.346 0.42 0 CA-C-N 119.475 1.034 . . . . 0.0 111.661 -174.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.96 31.59 0.05 OUTLIER 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.703 2.401 . . . . 0.0 109.105 -166.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 mp -116.01 138.19 51.44 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 66.8 m -86.46 140.69 29.72 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.524 -0.274 . . . . 0.0 111.653 176.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -44.11 -53.01 6.78 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.042 2.537 . . . . 0.0 111.532 174.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.5 -44.92 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 126.137 1.775 . . . . 0.0 110.641 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -45.96 69.89 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 122.957 0.503 . . . . 0.0 110.169 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 81.9 t -57.76 -34.65 48.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 C-N-CA 124.039 0.935 . . . . 0.0 109.918 179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.6 ttpt -53.44 -39.43 64.42 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.019 -1.051 . . . . 0.0 111.041 174.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.7 mt -79.1 -32.37 15.18 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.102 0 CA-C-O 116.91 -1.519 . . . . 0.0 111.266 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 24.0 t90 -51.33 -43.99 61.88 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 121.364 1.893 . . . . 0.0 108.899 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -65.98 -14.95 62.52 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -34.97 79.55 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 122.531 2.423 . . . . 0.0 110.043 169.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -76.6 -33.75 58.42 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 121.535 -0.728 . . . . 0.0 111.095 -167.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -63.2 0.31 0.65 Allowed 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 116.327 1.973 . . . . 0.0 116.327 -166.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -95.05 -2.36 50.34 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.971 1.308 . . . . 0.0 112.647 178.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.02 -21.49 27.75 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 119.897 1.226 . . . . 0.0 113.457 -172.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -46.68 -44.0 18.23 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.926 1.29 . . . . 0.0 113.126 -173.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -78.61 -42.0 30.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.331 0.652 . . . . 0.0 110.461 -177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -58.13 -32.42 68.12 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 117.851 -1.071 . . . . 0.0 110.951 173.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.91 -54.86 41.73 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 120.064 1.302 . . . . 0.0 111.54 177.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 51.1 mt -76.72 -58.17 4.81 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -176.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -79.27 51.26 1.17 Allowed 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.54 96.27 6.08 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 106.06 -1.829 . . . . 0.0 106.06 167.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.31 57.85 4.51 Favored Glycine 0 N--CA 1.45 -0.402 0 CA-C-O 118.776 -1.013 . . . . 0.0 110.591 -174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -152.26 119.65 5.97 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 124.755 1.222 . . . . 0.0 107.928 -174.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 34.6 m -141.62 169.42 14.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 173.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.253 1.286 0 C-N-CA 126.016 1.726 . . . . 0.0 112.607 172.078 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 CA--C 1.517 -0.3 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.92 56.89 13.22 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 126.554 1.942 . . . . 0.0 115.559 153.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -71.97 -5.39 17.0 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 122.76 2.307 . . . . 0.0 113.764 178.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.04 -178.84 52.11 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -171.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.47 144.09 7.91 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.547 1.07 . . . . 0.0 110.469 -169.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -162.85 131.05 3.85 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.906 1.682 . . . . 0.0 107.662 -169.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.1 p -161.71 176.76 10.6 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.052 0.941 . . . . 0.0 110.756 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.57 155.92 43.89 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.561 1.144 . . . . 0.0 109.169 164.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.2 mtp85 -90.96 151.85 20.93 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 122.689 0.396 . . . . 0.0 110.462 170.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -74.44 59.32 0.8 Allowed 'General case' 0 C--O 1.239 0.519 0 C-N-CA 128.304 2.642 . . . . 0.0 110.775 172.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ttt85 -134.68 48.98 2.26 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 120.612 -1.305 . . . . 0.0 111.041 177.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.409 HG21 ' CD2' ' A' ' 14' ' ' PHE . 8.8 t -156.64 -170.44 3.33 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.156 0.982 . . . . 0.0 109.432 174.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -140.16 38.64 1.93 Allowed 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 127.167 2.187 . . . . 0.0 108.338 169.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.409 ' CD2' HG21 ' A' ' 12' ' ' THR . 26.8 m-85 -68.56 162.16 26.39 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-O 121.144 0.497 . . . . 0.0 109.898 168.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.9 p -96.59 147.71 23.6 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.123 1.769 . . . . 0.0 107.482 -177.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.8 t -56.78 -37.15 70.71 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 125.21 1.404 . . . . 0.0 110.38 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.41 -41.34 84.76 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.635 1.174 . . . . 0.0 111.51 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HA ' HD13 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -86.3 -13.88 45.34 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.78 -0.575 . . . . 0.0 111.164 -167.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 36.0 mt -70.85 -17.52 62.73 Favored 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 124.744 1.217 . . . . 0.0 113.059 171.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 11.3 mt -65.88 -48.33 71.89 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 120.323 1.42 . . . . 0.0 110.582 -173.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.55 -37.06 79.61 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.177 1.391 . . . . 0.0 110.757 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.1 mt -58.2 -54.14 50.36 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.626 1.17 . . . . 0.0 108.823 176.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -65.01 -40.3 94.7 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.249 0.62 . . . . 0.0 111.554 -178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.4 tttt -51.49 -44.65 62.55 Favored 'General case' 0 CA--C 1.523 -0.073 0 C-N-CA 124.926 1.291 . . . . 0.0 111.063 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.93 -49.36 25.05 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 121.815 -0.553 . . . . 0.0 110.751 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -19.28 57.28 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 -175.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -53.49 -63.06 1.27 Allowed 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 126.793 2.037 . . . . 0.0 110.137 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 m -71.87 -63.29 1.16 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 173.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.74 95.43 5.41 Favored 'General case' 0 CA--C 1.51 -0.558 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -161.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.77 11.35 0.08 Allowed 'General case' 0 C--O 1.234 0.285 0 C-N-CA 125.921 1.688 . . . . 0.0 112.818 179.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -148.63 147.62 29.17 Favored 'General case' 0 N--CA 1.438 -1.05 0 C-N-CA 124.713 1.205 . . . . 0.0 108.239 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.15 154.97 19.11 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 124.683 1.193 . . . . 0.0 109.157 175.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.415 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 47.0 t -108.92 84.84 1.99 Allowed 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 126.465 1.906 . . . . 0.0 107.143 170.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 43.42 -76.25 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 129.891 3.277 . . . . 0.0 114.941 168.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.2 m -44.65 -40.44 5.86 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.468 1.907 . . . . 0.0 111.375 169.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 33' ' ' SER . 5.9 mm-40 -63.47 -36.95 85.43 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 124.382 1.073 . . . . 0.0 108.861 -177.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -61.37 -40.23 93.56 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -177.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -73.88 -6.03 44.7 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 116.602 -1.666 . . . . 0.0 113.215 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -62.61 -73.19 0.11 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-N 121.188 1.813 . . . . 0.0 108.601 174.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -53.33 -43.22 50.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.48 0 CA-C-N 118.294 0.497 . . . . 0.0 111.076 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.7 -39.42 73.82 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 117.997 -1.002 . . . . 0.0 111.924 -175.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -98.7 -8.21 26.53 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.646 1.178 . . . . 0.0 111.827 -177.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -85.02 -49.56 8.2 Favored 'General case' 0 N--CA 1.442 -0.845 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 18' ' ' GLN . 17.1 mt -92.92 -86.09 0.25 Allowed 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 118.826 -0.607 . . . . 0.0 111.268 -168.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 174.42 14.42 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.687 1.995 . . . . 0.0 112.655 -167.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.5 mp -76.85 -174.25 2.99 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.709 -1.245 . . . . 0.0 109.023 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.4 t -123.99 121.97 36.69 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -51.65 -32.78 30.76 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.217 1.807 . . . . 0.0 113.984 -173.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.6 p -64.5 -50.39 76.26 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.288 0 CA-C-N 118.52 0.6 . . . . 0.0 110.397 175.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -45.48 84.37 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.996 0.903 . . . . 0.0 108.571 178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 53.8 t -58.98 -50.27 80.26 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 125.046 1.339 . . . . 0.0 109.594 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' HA ' ' CE2' ' A' ' 55' ' ' PHE . 8.3 pttt -62.98 -7.87 6.13 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.07 -31.32 2.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-N 119.775 1.17 . . . . 0.0 111.314 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -51.74 -44.02 63.11 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 123.424 0.689 . . . . 0.0 109.396 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CE2' ' HA ' ' A' ' 52' ' ' LYS . 25.4 p90 -80.0 -36.99 35.14 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.217 176.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -50.69 -38.46 47.05 Favored 'General case' 0 C--N 1.344 0.367 0 C-N-CA 125.529 1.532 . . . . 0.0 112.349 -171.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -56.13 -38.78 71.26 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 118.85 -0.595 . . . . 0.0 111.872 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.2 ttt180 -69.2 -13.38 62.37 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 119.597 1.089 . . . . 0.0 112.685 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -99.68 -32.68 10.94 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 119.877 1.217 . . . . 0.0 110.903 173.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.11 -7.9 18.8 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -165.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -53.11 -38.59 62.76 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.619 1.554 . . . . 0.0 113.616 -178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.4 m-90 -74.81 -44.11 51.11 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 121.189 -0.945 . . . . 0.0 109.485 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -53.15 -40.42 64.28 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.89 0.876 . . . . 0.0 110.578 172.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.8 mmt180 -64.92 -7.89 13.35 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 120.444 1.475 . . . . 0.0 114.792 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.3 mt -100.34 -52.88 8.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 161.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 17.1 tttt -75.98 26.68 0.12 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 127.105 2.162 . . . . 0.0 112.905 -171.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.42 121.33 4.63 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 125.831 1.652 . . . . 0.0 108.009 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.03 175.86 50.33 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.304 0.954 . . . . 0.0 112.254 -177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -79.12 -175.08 4.41 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 126.386 1.875 . . . . 0.0 111.033 171.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.3 p -131.5 150.0 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 126.875 2.07 . . . . 0.0 106.42 164.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-N 119.562 1.074 . . . . 0.0 109.134 -163.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.99 78.46 17.33 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 123.407 0.683 . . . . 0.0 111.204 -167.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -65.42 -19.14 61.28 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 122.065 1.843 . . . . 0.0 111.808 174.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.77 173.51 23.53 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 108.22 -1.952 . . . . 0.0 108.22 164.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.28 151.61 28.41 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 109.348 -1.501 . . . . 0.0 109.348 -174.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 ttmt -159.69 131.43 6.22 Favored 'General case' 0 CA--C 1.521 -0.148 0 O-C-N 121.45 -1.029 . . . . 0.0 108.617 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.3 t -146.94 142.26 27.37 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 160.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.0 131.08 0.03 OUTLIER 'General case' 0 C--O 1.235 0.326 0 C-N-CA 129.421 3.088 . . . . 0.0 104.421 -176.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -73.43 70.8 1.26 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 119.511 1.05 . . . . 0.0 108.867 176.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -80.4 90.83 5.64 Favored 'General case' 0 CA--C 1.523 -0.084 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.99 1.83 19.57 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.071 -1.018 . . . . 0.0 112.211 176.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.4 m -138.49 154.97 48.82 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.473 1.033 . . . . 0.0 110.052 -169.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.86 33.75 0.6 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.15 1.78 . . . . 0.0 113.09 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -120.32 -179.24 3.89 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 119.219 0.918 . . . . 0.0 110.447 177.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.6 p -126.2 169.98 12.29 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.775 1.63 . . . . 0.0 108.529 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 t -69.01 -34.55 75.44 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.528 0.603 . . . . 0.0 111.142 -178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -64.98 -47.0 79.14 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 174.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -68.74 -8.4 42.6 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.12 -2.95 48.9 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.751 1.62 . . . . 0.0 112.014 176.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.5 mt -70.27 -57.22 5.12 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 120.449 1.477 . . . . 0.0 110.893 -167.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.35 -39.79 95.5 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.592 1.157 . . . . 0.0 109.437 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.581 HD13 HG21 ' A' ' 40' ' ' ILE . 7.7 tp -64.24 -33.5 75.95 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 127.089 2.156 . . . . 0.0 110.808 -173.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -83.92 -35.17 24.25 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 123.382 0.673 . . . . 0.0 112.721 169.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.9 tttm -69.78 -46.24 66.2 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-N 118.873 0.76 . . . . 0.0 109.627 -170.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -64.91 -16.89 63.82 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 119.232 -0.413 . . . . 0.0 111.65 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.61 -4.54 27.72 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.193 0.906 . . . . 0.0 112.904 171.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -82.66 -30.75 29.1 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.639 1.109 . . . . 0.0 112.436 178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.6 m -119.8 -12.87 9.15 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 -169.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.43 169.43 17.7 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 126.416 1.886 . . . . 0.0 106.944 160.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.03 18.4 11.68 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 118.567 0.622 . . . . 0.0 111.878 -174.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -160.18 97.45 1.25 Allowed 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -173.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' CD2' HD12 ' A' ' 22' ' ' LEU . 6.5 mp -56.33 101.59 0.06 Allowed 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 167.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.3 m -147.85 178.32 8.6 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 128.485 2.714 . . . . 0.0 107.324 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? 62.78 -86.11 0.02 OUTLIER 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 128.563 2.745 . . . . 0.0 112.821 -176.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.546 HG23 ' HG2' ' A' ' 36' ' ' GLU . 6.0 t -103.1 -26.88 12.87 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 173.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.546 ' HG2' HG23 ' A' ' 35' ' ' THR . 0.9 OUTLIER -81.55 -23.55 37.14 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 121.299 -0.876 . . . . 0.0 109.576 -155.64 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -62.21 -45.39 93.55 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 170.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.5 m -77.41 -25.42 50.77 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 123.977 0.911 . . . . 0.0 111.103 -177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -60.62 -63.01 1.45 Allowed 'General case' 0 CA--C 1.513 -0.48 0 C-N-CA 124.264 1.025 . . . . 0.0 108.442 -170.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.672 HG23 HD12 ' A' ' 44' ' ' LEU . 2.4 mp -67.33 -39.69 83.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -176.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.61 -26.54 65.54 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 118.113 -0.946 . . . . 0.0 112.023 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -120.07 20.34 12.11 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.091 0.956 . . . . 0.0 111.709 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -127.4 -34.61 2.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 117.161 -1.4 . . . . 0.0 113.522 174.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.672 HD12 HG23 ' A' ' 40' ' ' ILE . 23.1 mt -97.21 -88.78 0.29 Allowed 'General case' 0 C--N 1.346 0.417 0 CA-C-N 120.423 1.465 . . . . 0.0 109.925 -174.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -171.42 24.99 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 130.097 3.359 . . . . 0.0 111.382 -169.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.4 mp -104.71 -178.99 3.81 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -175.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 t -146.08 153.17 40.4 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -61.31 -41.61 97.28 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.004 0.922 . . . . 0.0 111.104 -170.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.456 ' O ' ' HE2' ' A' ' 52' ' ' LYS . 14.5 p -51.9 -33.49 15.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 C-N-CA 125.847 1.659 . . . . 0.0 112.741 174.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.74 -41.38 14.18 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 118.496 0.589 . . . . 0.0 110.557 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.05 -34.45 66.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 O-C-N 121.377 -0.827 . . . . 0.0 110.887 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.456 ' HE2' ' O ' ' A' ' 49' ' ' VAL . 40.5 pttt -55.38 -34.38 64.28 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 119.828 1.194 . . . . 0.0 111.82 176.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.4 mt -82.38 -23.79 9.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.553 1.141 . . . . 0.0 109.325 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -61.44 -35.76 78.47 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 120.449 -1.407 . . . . 0.0 110.122 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -66.33 -18.03 65.11 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.837 -0.54 . . . . 0.0 111.695 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.33 3.92 1.12 Allowed 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.48 -1.388 . . . . 0.0 112.432 178.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -115.92 -18.62 10.67 Favored 'General case' 0 CA--C 1.527 0.091 0 C-N-CA 124.701 1.2 . . . . 0.0 112.255 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.1 ptt85 -80.03 15.46 1.48 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 115.081 1.512 . . . . 0.0 115.081 -162.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -107.47 2.53 24.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 125.126 1.37 . . . . 0.0 113.017 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -93.54 -10.37 35.05 Favored 'General case' 0 C--N 1.339 0.109 0 CA-C-N 119.546 1.066 . . . . 0.0 112.168 -169.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.9 tttt -58.14 -48.76 79.27 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 119.49 1.041 . . . . 0.0 111.567 -175.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -75.32 -7.64 54.51 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 120.758 -1.214 . . . . 0.0 112.174 178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.83 -45.62 8.69 Favored 'General case' 0 C--O 1.222 -0.372 0 C-N-CA 124.714 1.206 . . . . 0.0 109.656 175.197 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -64.61 -6.79 8.39 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 120.891 1.678 . . . . 0.0 113.641 171.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.5 mt -120.8 -1.97 8.29 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.851 0 C-N-CA 128.449 2.7 . . . . 0.0 110.299 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.07 72.18 1.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 125.38 1.472 . . . . 0.0 107.74 162.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -141.5 -176.77 4.86 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 126.681 1.993 . . . . 0.0 109.775 166.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.42 98.62 2.34 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 107.774 -2.131 . . . . 0.0 107.774 170.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -153.02 40.4 0.55 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.708 1.203 . . . . 0.0 111.599 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.1 m -131.58 172.96 15.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 168.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 C--O 1.247 0.926 0 N-CA-C 107.926 -1.138 . . . . 0.0 107.926 -152.595 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.8 69.07 1.48 Allowed Pre-proline 0 CA--C 1.545 0.76 0 C-N-CA 125.79 1.636 . . . . 0.0 112.623 -176.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -71.1 178.03 5.85 Favored 'Trans proline' 0 CA--C 1.537 0.674 0 C-N-CA 124.102 3.202 . . . . 0.0 111.685 173.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.33 -166.14 38.86 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -176.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.8 -6.94 34.42 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-O 117.99 -1.45 . . . . 0.0 114.635 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 104.08 11.6 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 120.6 2.2 . . . . 0.0 109.094 179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 m -57.82 111.04 1.02 Allowed 'General case' 0 C--O 1.236 0.365 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 174.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.7 105.51 4.0 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.09 0.956 . . . . 0.0 109.467 -176.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 110.0 1.18 Allowed 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.695 1.598 . . . . 0.0 110.158 177.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 mtt-85 -76.58 92.62 3.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 119.243 0.929 . . . . 0.0 109.165 172.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -106.44 14.89 26.68 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.953 1.301 . . . . 0.0 114.188 -176.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 13' ' ' ALA . 7.4 m -89.82 178.26 6.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.635 0.774 . . . . 0.0 110.619 176.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.524 ' H ' HG22 ' A' ' 12' ' ' THR . . . -118.05 44.49 2.19 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.954 1.702 . . . . 0.0 112.189 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -125.79 -166.02 1.5 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.9 1.68 . . . . 0.0 109.271 174.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.6 p -132.65 164.15 27.36 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 125.007 1.323 . . . . 0.0 108.532 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 76.3 p -65.6 -14.85 62.0 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 121.414 -0.804 . . . . 0.0 112.472 173.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -98.4 -4.88 33.75 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.878 1.671 . . . . 0.0 111.21 -173.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -107.21 -30.94 8.45 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 127.64 2.376 . . . . 0.0 109.435 169.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -67.75 -4.26 11.82 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.431 1.092 . . . . 0.0 112.837 171.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.38 -45.2 76.93 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 120.158 1.345 . . . . 0.0 111.061 -173.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.6 -26.09 12.94 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 123.399 0.437 . . . . 0.0 109.938 -175.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.08 -49.22 78.5 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.308 1.043 . . . . 0.0 110.714 173.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -65.73 -25.87 67.48 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 121.895 -0.503 . . . . 0.0 111.852 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.3 tttt -70.28 -13.02 61.98 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 124.943 1.297 . . . . 0.0 111.643 -177.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -49.08 79.23 Favored 'General case' 0 C--O 1.24 0.569 0 CA-C-N 118.82 0.736 . . . . 0.0 109.189 173.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.11 -1.2 11.54 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 126.359 1.864 . . . . 0.0 113.804 -170.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -98.35 -0.97 42.72 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.126 0.971 . . . . 0.0 111.658 178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.16 -32.66 0.78 Allowed 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.392 1.077 . . . . 0.0 111.956 -177.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -133.13 177.2 7.85 Favored 'General case' 0 CA--C 1.507 -0.709 0 C-N-CA 126.634 1.974 . . . . 0.0 105.928 169.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.253 0.0 OUTLIER -140.98 27.05 2.0 Favored 'General case' 0 N--CA 1.423 -1.783 0 C-N-CA 123.253 0.621 . . . . 0.0 110.96 167.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.9 p90 -148.48 62.77 1.08 Allowed 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 125.936 1.694 . . . . 0.0 108.626 -166.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 tp -56.66 109.3 0.6 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.946 1.298 . . . . 0.0 110.701 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.3 t -65.03 176.35 1.28 Allowed 'General case' 0 C--O 1.238 0.473 0 C-N-CA 125.834 1.654 . . . . 0.0 111.229 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.0 -54.95 27.56 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.88 1.272 . . . . 0.0 109.072 174.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 t -64.88 -31.08 72.14 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 124.066 0.946 . . . . 0.0 111.692 -177.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.83 -39.73 23.56 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.691 0.796 . . . . 0.0 109.062 -167.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 32.3 ttt-85 -56.55 -47.14 80.09 Favored 'General case' 0 C--N 1.341 0.214 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 170.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.2 m -65.79 -2.71 3.97 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.776 1.63 . . . . 0.0 114.493 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -74.92 -80.18 0.08 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 120.541 1.519 . . . . 0.0 106.959 166.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.478 HD12 ' H ' ' A' ' 40' ' ' ILE . 5.1 mp -52.38 -43.4 40.7 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 118.628 0.649 . . . . 0.0 111.308 -176.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.29 -10.81 57.39 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-O 118.294 -0.86 . . . . 0.0 112.817 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -133.79 36.67 3.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 120.115 1.325 . . . . 0.0 109.001 170.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -126.04 -63.43 1.11 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 118.247 -0.883 . . . . 0.0 109.329 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.05 -86.95 0.08 Allowed 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 -169.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -164.83 8.76 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.761 2.425 . . . . 0.0 111.305 -157.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 mp -105.94 141.87 36.6 Favored 'General case' 0 CA--C 1.522 -0.115 0 O-C-N 120.446 -1.408 . . . . 0.0 108.22 -167.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.1 m -77.69 140.63 39.57 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 170.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -45.29 -47.95 13.02 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.866 1.666 . . . . 0.0 111.002 170.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 42.8 t -59.06 -62.68 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.31 0.644 . . . . 0.0 109.532 -178.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.95 -35.22 64.03 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.828 0.851 . . . . 0.0 111.829 -171.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.8 -34.86 49.17 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 123.134 0.574 . . . . 0.0 111.066 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.4 mtmt -55.86 -37.21 68.47 Favored 'General case' 0 CA--C 1.532 0.263 0 O-C-N 120.721 -1.237 . . . . 0.0 112.135 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -81.12 -18.06 11.9 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 O-C-N 121.58 -0.7 . . . . 0.0 110.912 -173.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 17.5 t90 -58.6 -40.78 84.22 Favored 'General case' 0 C--O 1.237 0.408 0 O-C-N 120.396 -1.44 . . . . 0.0 109.815 171.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -66.89 -26.92 67.11 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.259 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -60.37 -19.63 56.43 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.723 1.609 . . . . 0.0 110.831 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -87.01 -50.34 6.72 Favored 'General case' 0 C--N 1.343 0.286 0 C-N-CA 123.758 0.823 . . . . 0.0 111.305 167.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 47.1 mmt-85 -68.97 -3.24 12.16 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -173.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -91.82 -7.98 47.91 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.894 1.225 . . . . 0.0 111.987 174.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.37 -21.16 46.11 Favored 'General case' 0 N--CA 1.461 0.122 0 O-C-N 121.07 -1.019 . . . . 0.0 112.259 -164.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -54.1 -61.01 2.58 Favored 'General case' 0 C--N 1.337 0.064 0 CA-C-N 118.731 0.696 . . . . 0.0 110.602 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.4 m-90 -63.94 -38.28 90.52 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 118.586 -0.721 . . . . 0.0 110.613 -170.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.72 -60.73 2.93 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 124.842 1.257 . . . . 0.0 109.965 171.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . 0.255 0.0 OUTLIER -61.02 -25.6 67.02 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.925 -174.279 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 74.2 mt -91.58 -8.47 10.41 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 125.083 1.353 . . . . 0.0 110.413 178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.35 36.51 4.48 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 126.85 2.06 . . . . 0.0 107.883 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.76 108.55 19.18 Favored 'General case' 0 N--CA 1.447 -0.577 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 175.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.63 61.35 0.01 OUTLIER Glycine 0 CA--C 1.521 0.413 0 N-CA-C 111.748 -0.541 . . . . 0.0 111.748 -179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -146.69 176.19 10.04 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 173.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.6 p -78.88 119.27 27.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 170.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.6 m . . . . . 0 C--O 1.249 1.03 0 C-N-CA 128.924 2.89 . . . . 0.0 114.601 -172.783 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.31 85.33 6.35 Favored Pre-proline 0 CA--C 1.536 0.431 0 C-N-CA 125.714 1.606 . . . . 0.0 107.845 177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.4 142.61 41.26 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.804 1.67 . . . . 0.0 109.597 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.0 171.86 41.02 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 124.72 1.153 . . . . 0.0 110.255 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -78.73 153.65 38.74 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 110.353 -1.099 . . . . 0.0 110.353 173.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -129.12 162.69 27.16 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.205 1.402 . . . . 0.0 109.049 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.7 m -122.57 167.93 12.79 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 122.177 0.989 . . . . 0.0 112.265 -162.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.78 98.05 4.03 Favored 'General case' 0 N--CA 1.456 -0.137 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -133.32 175.56 9.3 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 124.463 1.105 . . . . 0.0 109.491 172.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -65.47 88.71 0.09 Allowed 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 168.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -127.01 25.07 6.31 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.927 1.691 . . . . 0.0 110.307 -176.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -51.33 147.31 5.92 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 127.046 2.138 . . . . 0.0 110.105 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.454 ' H ' ' NE2' ' A' ' 50' ' ' GLN . . . -112.54 52.47 0.77 Allowed 'General case' 0 C--O 1.236 0.387 0 C-N-CA 124.537 1.135 . . . . 0.0 110.429 -177.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -120.32 -168.78 1.68 Allowed 'General case' 0 C--O 1.235 0.302 0 C-N-CA 123.903 0.881 . . . . 0.0 110.606 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.4 p -139.67 169.25 18.07 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.648 1.579 . . . . 0.0 108.277 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.99 -25.87 61.14 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.115 0.87 . . . . 0.0 112.151 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -58.51 -58.95 6.28 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 169.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -56.8 -46.45 81.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 123.561 0.745 . . . . 0.0 111.989 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.36 -22.3 63.11 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 117.352 -1.309 . . . . 0.0 113.558 -177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.471 HD22 ' HE3' ' A' ' 24' ' ' LYS . 0.4 OUTLIER -58.69 -34.38 71.23 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 120.437 1.471 . . . . 0.0 111.158 -175.437 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG3' HD21 ' A' ' 44' ' ' LEU . 2.0 mt-10 -76.97 -36.46 56.46 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.836 -0.54 . . . . 0.0 110.481 -175.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.0 mt -64.69 -36.92 85.85 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 126.583 1.953 . . . . 0.0 110.518 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -67.92 -49.42 61.95 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.74 1.216 . . . . 0.0 110.371 173.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' HE3' HD22 ' A' ' 20' ' ' LEU . 75.5 mttt -53.7 -48.87 69.13 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.868 0.867 . . . . 0.0 112.643 -174.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -58.82 -38.44 78.63 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.355 0.41 . . . . 0.0 111.038 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.74 -15.5 63.67 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 118.518 -0.753 . . . . 0.0 112.284 -173.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -77.44 -18.55 57.09 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.699 0.681 . . . . 0.0 111.563 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.7 t -111.78 -49.67 2.97 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 124.493 1.117 . . . . 0.0 110.51 -174.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.36 104.31 7.64 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 124.353 1.061 . . . . 0.0 108.515 -172.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? -68.77 0.08 4.74 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.465 1.906 . . . . 0.0 112.299 -176.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -132.38 120.44 22.03 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 126.755 2.022 . . . . 0.0 106.452 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.9 tp -86.9 116.28 24.86 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.5 m -75.69 -170.34 1.27 Allowed 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.352 0.596 . . . . 0.0 110.239 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -53.34 20.54 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 120.736 -1.228 . . . . 0.0 111.322 -168.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.2 m -69.26 -32.11 71.08 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.182 0.447 . . . . 0.0 110.885 178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -67.67 -34.18 76.41 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -60.98 -17.33 51.32 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 113.761 1.022 . . . . 0.0 113.761 172.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.9 m -97.23 -4.13 39.52 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.033 -1.46 . . . . 0.0 113.249 173.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -56.6 -62.81 1.47 Allowed 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.584 1.538 . . . . 0.0 108.424 176.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.44 -36.83 78.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.629 -175.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.08 -35.61 73.68 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 118.385 -0.817 . . . . 0.0 111.828 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -95.35 -2.29 49.48 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.127 0.876 . . . . 0.0 112.989 178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.802 ' HB3' HD22 ' A' ' 44' ' ' LEU . . . -82.87 -59.15 2.59 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 -173.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 43' ' ' ALA . 1.2 mm? -106.05 -89.15 0.44 Allowed 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 119.207 -0.997 . . . . 0.0 112.274 -162.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.61 7.67 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 129.496 3.118 . . . . 0.0 111.419 -160.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.3 mp -71.67 177.14 4.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.055 -1.653 . . . . 0.0 108.59 -173.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.8 t -115.2 127.65 55.66 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 164.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -44.72 -45.1 9.66 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.708 2.003 . . . . 0.0 110.819 174.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.67 -19.69 26.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 C-N-CA 126.292 1.837 . . . . 0.0 112.072 -177.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.454 ' NE2' ' H ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -89.69 -39.99 12.83 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 125.795 1.638 . . . . 0.0 110.348 170.573 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.6 t -57.71 -43.12 83.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 123.98 0.912 . . . . 0.0 110.064 -177.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -50.97 -26.39 5.92 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.8 mp -87.72 -20.5 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 120.697 -1.252 . . . . 0.0 111.262 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -60.36 -35.8 76.54 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 120.751 -1.218 . . . . 0.0 109.313 178.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -68.92 -45.15 71.59 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 123.992 0.917 . . . . 0.0 110.039 174.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -14.72 17.93 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.092 1.357 . . . . 0.0 112.945 174.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -99.6 -12.02 20.45 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 124.936 1.295 . . . . 0.0 112.426 173.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 18.0 mmt180 -94.13 -13.59 26.59 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.381 0.991 . . . . 0.0 111.338 168.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.71 -44.3 27.53 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.06 1.344 . . . . 0.0 112.487 -175.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.56 1.87 51.77 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 122.978 0.511 . . . . 0.0 111.855 -170.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.91 -55.38 23.7 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 119.382 0.992 . . . . 0.0 110.06 -177.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -72.65 -26.05 61.5 Favored 'General case' 0 C--O 1.224 -0.269 0 O-C-N 121.658 -0.651 . . . . 0.0 111.699 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -63.48 -46.99 83.6 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.862 1.21 . . . . 0.0 110.757 173.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . 0.288 0.0 OUTLIER -60.22 -34.26 73.41 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 119.164 0.893 . . . . 0.0 111.406 -179.398 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.9 mt -72.07 -63.34 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.7 tmtm? -75.14 35.34 0.11 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.929 2.092 . . . . 0.0 112.804 -173.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.25 -173.23 0.38 Allowed 'General case' 0 C--O 1.238 0.499 0 C-N-CA 124.32 1.048 . . . . 0.0 110.036 165.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.92 -179.94 34.24 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.61 -1.177 . . . . 0.0 112.187 178.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -149.21 165.89 30.52 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 126.446 1.898 . . . . 0.0 109.298 -166.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.4 p -57.8 154.21 2.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.425 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 167.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.241 0.656 0 CA-C-O 116.772 -1.585 . . . . 0.0 107.812 172.322 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.8 m . . . . . 0 N--CA 1.471 0.616 0 CA-C-O 117.535 -1.221 . . . . 0.0 113.776 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.55 54.82 11.35 Favored Pre-proline 0 CA--C 1.541 0.598 0 CA-C-N 120.803 1.638 . . . . 0.0 115.016 156.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -69.61 145.64 58.62 Favored 'Trans proline' 0 N--CA 1.456 -0.727 0 C-N-CA 121.891 1.727 . . . . 0.0 110.893 -176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.02 171.02 16.27 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 170.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.98 139.42 10.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 108.352 -1.899 . . . . 0.0 108.352 -171.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.93 74.0 3.53 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.614 0.766 . . . . 0.0 110.379 -171.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -157.98 122.6 4.27 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 176.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -133.04 69.62 1.48 Allowed 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.438 1.495 . . . . 0.0 109.324 -178.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 mtm-85 -66.37 101.6 0.76 Allowed 'General case' 0 C--O 1.236 0.372 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 172.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -140.12 61.34 1.53 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 124.849 1.26 . . . . 0.0 111.223 -172.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -69.66 32.13 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 116.628 2.085 . . . . 0.0 116.628 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 t -125.98 165.77 18.17 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 123.448 0.699 . . . . 0.0 112.057 -175.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.37 23.3 13.36 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.583 1.953 . . . . 0.0 110.933 178.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -71.85 144.72 48.98 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.042 -1.036 . . . . 0.0 108.875 169.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.24 159.92 14.92 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 127.211 2.205 . . . . 0.0 109.409 -177.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 43.4 t -55.32 -28.2 52.08 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.558 1.143 . . . . 0.0 110.979 169.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -71.08 -23.82 62.19 Favored 'General case' 0 C--N 1.344 0.347 0 CA-C-N 119.818 1.19 . . . . 0.0 111.549 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -97.73 -12.9 21.79 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.756 1.222 . . . . 0.0 112.215 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 mp -88.47 -6.64 57.5 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 117.893 -1.051 . . . . 0.0 111.946 177.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.35 -60.86 3.14 Favored 'General case' 0 C--N 1.34 0.192 0 C-N-CA 124.248 1.019 . . . . 0.0 109.768 -177.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.42 -30.67 71.5 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.163 1.385 . . . . 0.0 111.074 -176.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.1 mt -64.8 -48.89 72.8 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 124.383 1.073 . . . . 0.0 109.619 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -66.23 -35.06 79.44 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 119.272 -0.394 . . . . 0.0 110.591 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -64.05 -44.09 93.54 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.557 1.143 . . . . 0.0 110.159 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.15 -20.69 64.03 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.954 1.702 . . . . 0.0 112.323 172.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -89.4 0.11 57.08 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.301 1.04 . . . . 0.0 112.015 173.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -71.41 -52.55 17.97 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.865 1.211 . . . . 0.0 109.227 170.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 60.5 m -66.18 -54.09 29.57 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.198 0.999 . . . . 0.0 110.669 -173.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' HE2' HD12 ' A' ' 32' ' ' LEU . 2.3 pptp? -132.13 158.32 41.96 Favored 'General case' 0 CA--C 1.51 -0.558 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.014 -159.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -88.45 -19.16 26.87 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 -164.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -139.61 -167.54 2.29 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 124.388 1.075 . . . . 0.0 108.863 -150.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD12 ' HE2' ' A' ' 29' ' ' LYS . 2.3 tp -146.59 80.82 1.56 Allowed 'General case' 0 C--O 1.238 0.488 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -74.49 73.88 1.93 Allowed 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.959 2.504 . . . . 0.0 109.557 -176.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 44.13 -86.1 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 128.774 2.83 . . . . 0.0 112.054 -165.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.0 m -48.07 -32.29 6.57 Favored 'General case' 0 C--O 1.225 -0.194 0 C-N-CA 129.192 2.997 . . . . 0.0 114.13 -163.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.34 -39.4 86.98 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.454 1.102 . . . . 0.0 108.991 -178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -64.02 -38.6 91.65 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.234 -0.916 . . . . 0.0 112.126 176.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.7 m -73.17 -11.08 60.4 Favored 'General case' 0 N--CA 1.445 -0.703 0 C-N-CA 124.738 1.215 . . . . 0.0 110.18 -177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -70.79 -69.63 0.35 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 166.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.418 HD12 ' H ' ' A' ' 40' ' ' ILE . 4.3 mp -53.67 -46.39 61.55 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-N 118.417 0.553 . . . . 0.0 110.135 -173.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.2 -12.15 48.2 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -175.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -124.09 -2.25 8.17 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 119.379 0.99 . . . . 0.0 111.415 179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -102.15 -49.14 4.0 Favored 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.655 1.182 . . . . 0.0 109.778 -176.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mt -88.57 -88.14 0.15 Allowed 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 118.143 -0.932 . . . . 0.0 109.967 -174.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -164.05 13.52 0.05 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 130.691 3.597 . . . . 0.0 111.993 -170.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.99 -176.08 3.45 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 120.518 -1.364 . . . . 0.0 111.43 -163.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.48 117.74 21.86 Favored 'General case' 0 CA--C 1.528 0.122 0 C-N-CA 125.912 1.685 . . . . 0.0 109.412 -168.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.85 -35.69 61.77 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.086 1.312 . . . . 0.0 111.886 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.2 t -61.61 -52.26 63.04 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.352 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 177.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -43.85 78.29 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 123.069 0.548 . . . . 0.0 110.501 -176.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.0 t -61.04 -28.3 43.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 O-C-N 120.956 -1.09 . . . . 0.0 109.971 177.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.4 ttpp -50.31 -34.52 23.9 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.378 1.071 . . . . 0.0 111.512 171.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.2 mp -95.61 -29.16 3.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 119.011 0.823 . . . . 0.0 111.153 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 47.5 t90 -53.78 -38.98 65.03 Favored 'General case' 0 C--O 1.24 0.56 0 O-C-N 121.01 -1.056 . . . . 0.0 111.607 -172.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -89.37 -36.38 15.53 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 118.877 -0.582 . . . . 0.0 111.217 175.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -51.7 -33.98 36.63 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.824 1.65 . . . . 0.0 111.541 175.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -60.02 -18.32 45.35 Favored 'General case' 0 CA--C 1.515 -0.397 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttm180 -106.39 -1.28 23.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 119.281 0.946 . . . . 0.0 111.142 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -69.21 -27.45 65.5 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 119.972 1.26 . . . . 0.0 112.221 -173.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -103.12 12.61 35.61 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.882 0.873 . . . . 0.0 110.714 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -55.89 -54.33 45.9 Favored 'General case' 0 N--CA 1.462 0.128 0 O-C-N 121.349 -0.845 . . . . 0.0 109.512 174.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 -62.51 -47.56 83.41 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 122.725 0.41 . . . . 0.0 110.326 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -27.41 68.37 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 117.836 -1.078 . . . . 0.0 112.308 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.09 -10.66 32.18 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 120.687 1.585 . . . . 0.0 113.702 172.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.5 mt -127.35 -10.58 4.09 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 C-N-CA 125.456 1.502 . . . . 0.0 109.946 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -127.54 30.81 5.28 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 127.693 2.397 . . . . 0.0 110.196 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -79.54 165.53 22.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 121.311 -0.868 . . . . 0.0 108.706 169.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -122.15 168.15 14.74 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 126.289 1.899 . . . . 0.0 109.352 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -90.3 -173.52 3.84 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.53 100.89 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.241 0.626 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 120.919 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 117.264 -1.35 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.97 72.04 2.71 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-N 120.461 1.482 . . . . 0.0 111.136 172.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_endo -86.93 143.91 7.09 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.2 165.22 38.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 121.616 -0.678 . . . . 0.0 113.913 176.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 117.71 154.94 9.97 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 126.508 2.004 . . . . 0.0 111.596 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -151.77 105.62 3.14 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 126.949 2.1 . . . . 0.0 108.632 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.24 167.83 26.61 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 119.275 0.943 . . . . 0.0 111.27 175.147 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -116.64 84.86 2.21 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.804 1.642 . . . . 0.0 108.749 172.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 76.9 mtt85 -148.75 145.06 27.44 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.18 1.392 . . . . 0.0 109.08 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.43 ' HA ' HG21 ' A' ' 53' ' ' ILE . 1.9 ptp180 -71.48 43.06 0.08 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.259 1.424 . . . . 0.0 113.149 172.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -77.11 59.58 1.74 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.431 1.093 . . . . 0.0 109.832 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.4 HG23 ' CE2' ' A' ' 14' ' ' PHE . 4.5 m -64.26 130.99 46.04 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 170.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.8 48.24 1.16 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.608 1.563 . . . . 0.0 108.147 173.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.4 ' CE2' HG23 ' A' ' 12' ' ' THR . 21.3 m-85 -77.31 -165.92 0.66 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.13 0.972 . . . . 0.0 108.813 171.475 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.42 158.36 43.97 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 126.055 1.742 . . . . 0.0 106.585 -177.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -59.88 -25.58 65.19 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 169.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.4 -10.96 60.45 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.166 0.986 . . . . 0.0 112.383 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.435 ' HB3' HD11 ' A' ' 46' ' ' LEU . 34.3 mt-30 -122.1 -17.21 7.29 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.739 1.216 . . . . 0.0 111.376 177.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.8 mp -76.75 -3.25 37.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.844 171.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.59 -52.32 58.13 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-N 120.651 1.569 . . . . 0.0 109.166 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -63.94 -35.78 81.8 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.387 1.075 . . . . 0.0 110.677 176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 tp -66.43 -48.5 69.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.346 1.458 . . . . 0.0 109.339 -173.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -71.9 -33.4 68.29 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 118.53 -0.748 . . . . 0.0 112.06 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -56.24 -54.16 48.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 119.32 0.964 . . . . 0.0 109.672 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.21 -43.42 98.9 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.444 0.698 . . . . 0.0 109.793 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.38 -11.12 39.18 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 177.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -83.61 -34.55 25.08 Favored 'General case' 0 CA--C 1.528 0.131 0 CA-C-N 119.989 1.268 . . . . 0.0 109.81 173.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 80.5 m -69.75 -39.23 76.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.869 0.868 . . . . 0.0 109.61 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.39 161.58 37.56 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 123.762 0.825 . . . . 0.0 109.575 -169.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 6.49 22.24 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -163.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 p90 -141.88 127.64 19.25 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 124.673 1.189 . . . . 0.0 107.892 177.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -88.79 99.29 12.25 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 m -65.96 -179.28 0.7 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.725 2.01 . . . . 0.0 111.182 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.3 -56.92 12.49 Favored 'General case' 0 CA--C 1.531 0.23 0 O-C-N 121.318 -0.864 . . . . 0.0 112.266 -167.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 t -64.31 -28.4 69.69 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 122.324 1.059 . . . . 0.0 110.401 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.78 -32.73 71.37 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.613 -1.254 . . . . 0.0 107.613 -177.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -75.56 -16.28 60.27 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 126.066 1.747 . . . . 0.0 112.357 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.1 -13.59 43.79 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.91 0.884 . . . . 0.0 112.394 171.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -62.27 -66.77 0.49 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 119.787 1.176 . . . . 0.0 110.644 -171.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 mp -63.82 -36.91 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 124.083 0.953 . . . . 0.0 110.103 -174.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.79 -32.42 67.52 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 177.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -107.74 0.32 22.24 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 118.711 0.687 . . . . 0.0 111.442 -178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -92.19 -36.81 13.07 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.904 0.881 . . . . 0.0 110.086 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.1 mt -119.41 -87.22 0.64 Allowed 'General case' 0 C--N 1.342 0.27 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -163.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.262 0.0 OUTLIER 174.15 11.92 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.217 2.207 . . . . 0.0 113.503 -166.614 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.435 HD11 ' HB3' ' A' ' 18' ' ' GLN . 7.1 mp -71.58 178.69 3.39 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 121.163 -0.961 . . . . 0.0 108.94 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.3 m -124.68 121.21 34.06 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 124.704 1.202 . . . . 0.0 109.015 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -56.03 -39.56 72.14 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 125.306 1.442 . . . . 0.0 112.893 -162.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.25 -41.97 88.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.946 -0.471 . . . . 0.0 109.774 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.87 -40.54 83.56 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.901 1.28 . . . . 0.0 110.239 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 89.9 t -55.6 -45.77 78.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -52.32 -24.64 7.86 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 125.399 1.48 . . . . 0.0 113.353 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.43 HG21 ' HA ' ' A' ' 10' ' ' ARG . 16.2 mt -104.05 -21.36 5.32 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.13 0 C-N-CA 124.35 1.06 . . . . 0.0 110.369 -172.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.9 t90 -52.1 -44.84 64.62 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.923 1.238 . . . . 0.0 108.345 166.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -64.3 -21.42 66.6 Favored 'General case' 0 N--CA 1.462 0.164 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -66.56 -21.71 66.15 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 120.641 1.564 . . . . 0.0 111.003 178.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -83.02 -62.91 1.47 Allowed 'General case' 0 CA--C 1.513 -0.449 0 C-N-CA 125.356 1.462 . . . . 0.0 108.983 178.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.3 -6.67 3.37 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -169.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 ttp180 -95.16 11.67 31.46 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.089 0.956 . . . . 0.0 112.196 -177.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -96.28 -8.63 32.27 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 125.3 1.44 . . . . 0.0 112.108 -176.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -50.34 -61.92 1.89 Allowed 'General case' 0 C--O 1.226 -0.135 0 CA-C-N 119.605 1.093 . . . . 0.0 112.751 -172.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -64.94 -21.97 66.92 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.528 -0.733 . . . . 0.0 111.283 -174.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -71.57 -54.17 11.37 Favored 'General case' 0 C--O 1.223 -0.34 0 C-N-CA 124.537 1.135 . . . . 0.0 110.907 171.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -54.18 -28.09 38.28 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.752 1.16 . . . . 0.0 111.944 179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.1 mt -80.1 -69.67 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 176.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -83.48 61.78 6.41 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.808 1.643 . . . . 0.0 109.685 -176.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -161.44 147.55 14.16 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 126.281 1.832 . . . . 0.0 107.462 159.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.35 79.71 1.44 Allowed Glycine 0 C--N 1.331 0.26 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 -177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -155.19 106.78 2.63 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.934 0.894 . . . . 0.0 108.834 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 15.9 m -136.69 148.77 26.69 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 169.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.034 0 C-N-CA 126.603 1.961 . . . . 0.0 107.254 -178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 43.65 63.69 7.72 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 126.341 1.856 . . . . 0.0 112.961 170.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.11 168.0 18.59 Favored 'Trans proline' 0 CA--C 1.537 0.638 0 C-N-CA 123.015 2.477 . . . . 0.0 112.289 177.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.58 82.26 0.05 OUTLIER Glycine 0 C--N 1.335 0.503 0 N-CA-C 108.84 -1.704 . . . . 0.0 108.84 -176.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 179.82 -161.92 28.09 Favored Glycine 0 CA--C 1.525 0.672 0 CA-C-N 118.037 0.918 . . . . 0.0 112.817 -169.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.81 152.99 45.61 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 124.759 1.224 . . . . 0.0 110.486 -174.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.5 t -151.95 175.6 12.33 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 125.507 1.523 . . . . 0.0 108.904 -175.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.8 ppt_? -131.81 134.13 45.45 Favored 'General case' 0 C--O 1.232 0.172 0 C-N-CA 125.476 1.511 . . . . 0.0 107.719 -177.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 71.7 mtt-85 -138.04 150.87 47.32 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-N 119.626 1.103 . . . . 0.0 110.559 168.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.95 48.31 1.21 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.478 1.511 . . . . 0.0 109.614 -179.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.5 mtp180 -123.07 38.69 4.13 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.045 1.338 . . . . 0.0 109.363 -174.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 88.1 m -58.94 130.11 45.42 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 119.126 0.875 . . . . 0.0 109.731 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.65 88.99 2.87 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 128.313 2.645 . . . . 0.0 105.529 170.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -120.24 163.65 17.46 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 163.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.8 p -114.15 164.03 14.41 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 125.777 1.631 . . . . 0.0 109.263 -170.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.2 t -56.78 -42.84 80.13 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.634 -0.666 . . . . 0.0 109.991 173.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -52.9 -29.54 28.99 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.922 1.289 . . . . 0.0 114.223 173.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.406 ' HB3' HD11 ' A' ' 46' ' ' LEU . 70.5 mt-30 -95.94 -11.82 26.03 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.375 2.27 . . . . 0.0 112.111 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.1 mp -101.11 -12.82 18.5 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.224 1.409 . . . . 0.0 112.817 -175.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.5 -59.78 4.02 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 124.899 1.279 . . . . 0.0 110.009 -174.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -71.65 -41.36 68.86 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.309 1.844 . . . . 0.0 108.128 -173.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.5 tp -58.93 -50.52 73.74 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 127.113 2.165 . . . . 0.0 110.664 -174.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.22 -47.19 62.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 125.973 1.709 . . . . 0.0 109.89 175.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -56.67 -46.19 81.26 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 118.869 0.759 . . . . 0.0 110.941 -176.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -13.57 62.32 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.471 -0.776 . . . . 0.0 112.451 -178.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.03 -7.95 59.67 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 119.209 0.913 . . . . 0.0 112.331 173.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -82.27 -44.31 16.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.926 0.89 . . . . 0.0 110.539 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 89.1 m -86.26 -21.11 27.55 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.09 0.859 . . . . 0.0 111.048 -175.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.64 113.59 5.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.5 17.82 0.81 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.07 0.948 . . . . 0.0 111.107 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -147.99 141.88 25.81 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 128.245 2.618 . . . . 0.0 107.133 -170.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.6 mt -113.16 105.28 13.26 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 126.594 1.958 . . . . 0.0 109.356 175.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.0 m -68.51 96.77 0.72 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.624 1.17 . . . . 0.0 109.227 165.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 43.54 -80.51 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 129.548 3.139 . . . . 0.0 115.212 164.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 63.3 m -54.39 -34.66 61.72 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.615 0.766 . . . . 0.0 111.006 176.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -69.78 -14.82 62.96 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.157 0.983 . . . . 0.0 110.364 -178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -97.3 0.52 48.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.263 1.825 . . . . 0.0 112.373 172.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.0 p -101.92 -22.33 14.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.008 0.923 . . . . 0.0 110.89 173.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -66.93 -59.91 3.1 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 123.73 0.812 . . . . 0.0 109.945 -164.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 mp -61.71 -30.37 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 O-C-N 121.524 -0.735 . . . . 0.0 109.134 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.52 -6.43 30.65 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.991 1.317 . . . . 0.0 113.907 174.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -138.44 8.41 2.64 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 120.038 1.29 . . . . 0.0 113.479 175.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -111.79 -47.25 3.16 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.538 1.535 . . . . 0.0 109.539 177.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.13 -89.5 0.17 Allowed 'General case' 0 C--N 1.346 0.446 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.737 -176.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.97 24.18 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.597 2.359 . . . . 0.0 108.804 -166.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' ' 18' ' ' GLN . 6.4 mp -111.7 173.35 6.39 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 -175.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.8 m -142.66 141.7 31.92 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 118.357 -0.83 . . . . 0.0 108.937 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -47.2 -46.36 23.94 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.037 0.935 . . . . 0.0 112.228 -173.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.454 ' HA ' ' HE3' ' A' ' 52' ' ' LYS . 14.9 p -53.94 -38.39 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 124.264 1.025 . . . . 0.0 111.655 -175.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -42.15 14.61 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.082 1.353 . . . . 0.0 109.859 177.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 72.3 t -55.82 -39.5 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 O-C-N 121.526 -0.734 . . . . 0.0 110.208 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.454 ' HE3' ' HA ' ' A' ' 49' ' ' VAL . 10.8 ptpt -56.41 -22.83 34.21 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.382 0.992 . . . . 0.0 113.447 -178.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.9 mp -85.37 -20.98 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 O-C-N 120.243 -1.535 . . . . 0.0 111.435 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 36.5 t90 -59.1 -35.87 74.16 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 119.881 1.219 . . . . 0.0 109.491 177.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -72.06 -34.02 68.41 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.609 -0.682 . . . . 0.0 110.838 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -8.01 4.62 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.291 1.436 . . . . 0.0 111.705 171.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -121.73 -21.39 6.14 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-O 117.341 -1.314 . . . . 0.0 113.97 171.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 28.3 ttt85 -74.07 83.18 1.77 Allowed 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 121.39 1.905 . . . . 0.0 110.679 178.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 75.19 13.33 3.21 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 128.321 2.648 . . . . 0.0 110.668 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.22 -12.9 14.06 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.723 0.809 . . . . 0.0 111.215 170.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.67 -49.85 64.41 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.484 1.038 . . . . 0.0 112.318 -168.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -81.17 -51.66 8.2 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 123.124 0.57 . . . . 0.0 109.464 178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -45.68 -34.67 3.65 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.976 2.11 . . . . 0.0 113.213 -177.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -59.24 -52.3 66.29 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 119.562 1.074 . . . . 0.0 112.295 178.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 mt -68.78 -51.54 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 176.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.47 27.52 0.05 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.243 1.817 . . . . 0.0 111.595 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -78.73 85.41 4.75 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 168.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.83 -109.54 3.05 Favored Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.513 -1.035 . . . . 0.0 110.513 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -150.46 86.38 1.4 Allowed 'General case' 0 C--O 1.234 0.25 0 C-N-CA 123.571 0.748 . . . . 0.0 110.105 -156.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 t -147.84 137.54 16.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 C-N-CA 125.763 1.625 . . . . 0.0 107.359 -178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 73.5 m . . . . . 0 C--O 1.248 0.999 0 N-CA-C 105.204 -2.147 . . . . 0.0 105.204 151.838 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 120.759 0.314 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.34 150.37 37.44 Favored Pre-proline 0 C--O 1.24 0.586 0 O-C-N 120.881 -1.137 . . . . 0.0 111.419 179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -71.59 176.21 8.44 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.758 2.306 . . . . 0.0 109.218 159.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.5 -27.05 2.11 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.42 1.009 . . . . 0.0 111.535 -179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 69.55 -160.45 52.9 Favored Glycine 0 CA--C 1.529 0.908 0 CA-C-N 117.615 0.708 . . . . 0.0 111.681 178.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -45.36 114.54 0.76 Allowed 'General case' 0 C--O 1.236 0.363 0 C-N-CA 125.931 1.693 . . . . 0.0 110.834 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.58 123.28 12.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.454 1.101 . . . . 0.0 110.928 -178.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.7 ttm-85 -96.74 150.11 21.07 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.074 0.949 . . . . 0.0 108.567 163.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -73.57 52.86 0.4 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.157 1.783 . . . . 0.0 111.39 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -75.4 35.38 0.12 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.951 1.7 . . . . 0.0 114.735 -169.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -66.11 20.86 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.667 2.787 . . . . 0.0 115.542 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -65.73 124.21 21.8 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.678 1.191 . . . . 0.0 110.47 -172.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 67.09 5.47 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 124.124 0.97 . . . . 0.0 109.62 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -138.5 -164.91 1.72 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.381 1.472 . . . . 0.0 108.166 167.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.32 152.89 46.2 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 126.694 1.998 . . . . 0.0 107.365 177.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.89 -9.45 51.74 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 124.069 0.948 . . . . 0.0 112.123 176.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -40.51 55.28 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.447 1.022 . . . . 0.0 110.163 170.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -73.62 -44.8 56.12 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.07 -6.47 1.39 Allowed 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 125.347 1.459 . . . . 0.0 114.059 -177.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -62.37 -42.83 99.72 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-N 120.428 1.467 . . . . 0.0 110.164 174.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -71.73 -32.97 68.33 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.349 0.595 . . . . 0.0 110.318 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mt -61.39 -52.84 62.93 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 170.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -66.54 -30.9 71.32 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 123.053 0.541 . . . . 0.0 112.229 -175.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.7 tptm -70.79 -46.4 62.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.515 0.726 . . . . 0.0 110.527 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.82 -47.03 86.93 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 121.543 -0.723 . . . . 0.0 109.771 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.18 2.13 11.66 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -173.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -91.17 -29.3 17.33 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 124.973 1.309 . . . . 0.0 111.16 169.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.7 m -85.83 -38.85 17.69 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.758 0.823 . . . . 0.0 111.006 176.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -129.13 150.91 50.32 Favored 'General case' 0 C--O 1.224 -0.245 0 C-N-CA 124.943 1.297 . . . . 0.0 109.501 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -93.66 32.07 1.47 Allowed 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 123.385 0.674 . . . . 0.0 110.362 174.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -163.19 -167.93 1.59 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.843 -1.54 . . . . 0.0 106.843 -172.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.1 mt -159.01 103.11 1.66 Allowed 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 103.354 -2.832 . . . . 0.0 103.354 173.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.0 m -61.28 165.16 4.75 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -45.67 82.82 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.433 -0.792 . . . . 0.0 110.772 -165.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.9 m -50.84 -42.87 58.98 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 125.067 1.347 . . . . 0.0 111.902 176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -71.4 -47.52 55.52 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.468 1.507 . . . . 0.0 107.773 -165.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -62.3 -39.55 93.35 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.261 -178.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.5 m -58.94 -34.66 72.0 Favored 'General case' 0 C--O 1.227 -0.116 0 CA-C-O 117.682 -1.152 . . . . 0.0 112.543 175.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -61.66 -61.07 2.78 Favored 'General case' 0 C--O 1.226 -0.151 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.5 mp -45.64 -54.24 1.74 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 C-N-CA 123.843 0.857 . . . . 0.0 110.639 172.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.14 -18.62 64.62 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 118.554 -0.736 . . . . 0.0 112.685 -172.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -127.63 -2.03 6.09 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 119.391 0.996 . . . . 0.0 113.303 -168.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -112.68 -12.64 13.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.946 -173.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.7 mt -113.64 -90.07 0.53 Allowed 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.804 1.184 . . . . 0.0 110.576 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.49 33.83 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 130.233 3.413 . . . . 0.0 108.768 -168.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.2 mp -104.82 166.25 10.51 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 121.099 -1.001 . . . . 0.0 109.099 -178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.89 119.61 32.08 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 -174.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.79 -41.65 7.14 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.311 1.844 . . . . 0.0 113.19 -174.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.9 t -70.05 -36.89 70.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 O-C-N 120.786 -1.196 . . . . 0.0 110.9 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -41.38 75.94 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.249 1.02 . . . . 0.0 110.105 176.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.3 -38.69 70.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 124.35 1.06 . . . . 0.0 108.947 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -54.73 -27.15 38.69 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.09 0.956 . . . . 0.0 113.377 174.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.4 mt -102.56 -19.94 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 CA-C-N 119.52 1.055 . . . . 0.0 110.471 -170.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 44.5 t90 -58.99 -32.1 69.39 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 120.295 -1.503 . . . . 0.0 110.178 172.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -54.65 -31.15 57.1 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.303 1.041 . . . . 0.0 112.391 172.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.53 10.75 0.16 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 126.55 1.94 . . . . 0.0 113.316 176.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -126.41 -53.13 1.48 Allowed 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 126.529 1.932 . . . . 0.0 107.876 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.4 tpt85 -66.16 -1.81 3.61 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 113.899 1.074 . . . . 0.0 113.899 -177.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -99.95 -5.98 27.37 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.387 1.075 . . . . 0.0 112.585 175.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.71 -11.5 59.02 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 120.352 1.433 . . . . 0.0 113.005 -167.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -47.55 -55.5 9.08 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 125.486 1.514 . . . . 0.0 112.002 -176.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -63.55 -45.43 90.59 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 118.886 0.766 . . . . 0.0 109.997 -178.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -62.58 -38.56 90.59 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 117.904 -1.046 . . . . 0.0 112.223 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -13.03 24.73 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 120.985 1.72 . . . . 0.0 113.942 174.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.6 mt -108.65 -13.85 10.28 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.794 0 C-N-CA 125.325 1.45 . . . . 0.0 109.699 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -115.77 1.03 13.36 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 125.358 1.463 . . . . 0.0 112.829 -176.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.6 110.0 1.86 Allowed 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 164.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.8 107.22 3.5 Favored Glycine 0 C--N 1.331 0.261 0 N-CA-C 107.627 -2.189 . . . . 0.0 107.627 173.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -140.73 167.98 20.88 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 125.97 1.708 . . . . 0.0 109.293 -173.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.66 103.56 5.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 106.185 -1.783 . . . . 0.0 106.185 -175.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.8 m . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.405 1.482 . . . . 0.0 110.858 -162.411 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 N--CA 1.467 0.386 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.71 56.0 3.56 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 125.173 1.389 . . . . 0.0 110.779 -178.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -70.49 131.29 19.91 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.283 1.989 . . . . 0.0 109.321 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.45 -174.22 35.59 Favored Glycine 0 CA--C 1.522 0.481 0 CA-C-N 119.328 0.967 . . . . 0.0 113.049 -170.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -96.79 86.33 0.87 Allowed Glycine 0 CA--C 1.525 0.67 0 C-N-CA 124.575 1.084 . . . . 0.0 111.149 -177.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -74.49 160.85 30.4 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.085 0.943 . . . . 0.0 108.954 159.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.32 160.37 18.17 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 124.208 1.003 . . . . 0.0 108.394 159.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.92 95.96 10.52 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 124.768 1.227 . . . . 0.0 109.097 -177.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -63.17 159.86 16.69 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.6 44.65 0.08 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 127.645 2.378 . . . . 0.0 112.909 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -77.2 57.09 1.38 Allowed 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.914 -1.116 . . . . 0.0 109.982 176.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 t -65.09 -179.38 0.55 Allowed 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.565 -0.709 . . . . 0.0 110.779 169.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.67 89.56 2.0 Allowed 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 105.715 -1.957 . . . . 0.0 105.715 167.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -128.8 179.33 5.77 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 126.619 1.967 . . . . 0.0 108.074 168.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.75 154.63 39.22 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 127.145 2.178 . . . . 0.0 107.613 -176.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -15.61 9.66 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.35 1.06 . . . . 0.0 112.775 169.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.59 -49.8 43.97 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 119.688 1.131 . . . . 0.0 110.395 171.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.42 ' HA ' HD22 ' A' ' 44' ' ' LEU . 7.4 mt-30 -88.49 -21.02 24.39 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.006 -172.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.01 -30.38 68.76 Favored 'General case' 0 C--O 1.233 0.229 0 O-C-N 121.099 -1.001 . . . . 0.0 111.235 172.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.8 -38.64 79.06 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.544 0.738 . . . . 0.0 112.708 -163.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.494 ' HB2' HD11 ' A' ' 44' ' ' LEU . 3.1 mt-10 -86.56 -32.64 20.57 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.222 1.009 . . . . 0.0 110.599 -173.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.17 -48.53 70.83 Favored 'General case' 0 C--O 1.23 0.06 0 C-N-CA 126.523 1.929 . . . . 0.0 111.053 171.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -74.34 -30.99 62.26 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 123.906 0.882 . . . . 0.0 112.243 -178.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.18 -58.87 6.1 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 172.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -77.69 30.15 0.16 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.065 1.346 . . . . 0.0 112.096 176.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -129.43 2.27 5.08 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.588 1.155 . . . . 0.0 112.107 164.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -73.45 -62.45 1.48 Allowed 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 169.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 86.4 m -78.93 -22.5 45.69 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -169.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.503 ' HE2' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -132.15 125.76 32.02 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 -174.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.04 42.95 1.22 Allowed 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -158.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -176.91 -174.08 0.51 Allowed 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.5 1.52 . . . . 0.0 107.094 -175.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.503 HD23 ' HE2' ' A' ' 29' ' ' LYS . 29.9 mt -138.13 96.35 3.18 Favored 'General case' 0 C--O 1.232 0.165 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 169.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.2 m -69.38 168.91 13.38 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.922 1.289 . . . . 0.0 109.587 169.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.25 -53.14 59.83 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.42 1.009 . . . . 0.0 111.135 -166.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 m -60.73 -40.96 94.34 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.937 0.895 . . . . 0.0 110.893 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -67.94 -36.22 79.75 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.579 0.752 . . . . 0.0 109.527 -178.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.5 tmm_? -68.88 -21.47 64.25 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 125.439 1.496 . . . . 0.0 110.737 -174.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 84.9 p -95.94 -5.66 40.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.46 1.027 . . . . 0.0 112.605 173.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -60.93 -59.55 5.19 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.51 1.504 . . . . 0.0 110.166 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mp -54.19 -50.92 52.12 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 C-N-CA 124.876 1.27 . . . . 0.0 109.301 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.25 -25.43 67.08 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 -174.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -78.26 -9.33 59.18 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.468 1.107 . . . . 0.0 112.628 177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -142.25 -2.6 1.12 Allowed 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.214 1.37 . . . . 0.0 112.879 -166.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.494 HD11 ' HB2' ' A' ' 21' ' ' GLU . 30.2 mt -147.31 115.28 6.5 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 129.404 3.082 . . . . 0.0 104.393 178.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' HD3' ' H ' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -58.12 33.23 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.752 1 C-N-CA 131.82 4.048 . . . . 0.0 114.405 175.95 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.45 -179.54 0.35 Allowed 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 128.1 2.56 . . . . 0.0 112.259 173.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 69.6 m -98.46 110.86 23.38 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.296 1.438 . . . . 0.0 109.391 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.6 -26.41 63.64 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.285 1.034 . . . . 0.0 112.97 -177.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.5 t -60.53 -46.46 95.43 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.151 0 O-C-N 121.385 -0.822 . . . . 0.0 108.937 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -37.42 75.55 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.247 1.419 . . . . 0.0 111.376 -170.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.2 t -56.24 -32.81 35.77 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -56.2 -22.62 30.35 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.969 2.108 . . . . 0.0 113.879 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -111.02 -25.58 3.48 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 CA-C-N 119.233 0.924 . . . . 0.0 110.347 -176.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 65.3 t90 -58.11 -37.57 74.81 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.289 -0.882 . . . . 0.0 112.172 -171.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -82.15 -29.37 31.63 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 122.272 -0.268 . . . . 0.0 111.352 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -58.9 -35.69 73.44 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.954 1.702 . . . . 0.0 110.141 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -55.24 -42.92 74.08 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.529 -0.732 . . . . 0.0 110.566 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -5.45 14.21 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.341 1.456 . . . . 0.0 113.396 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -109.63 -22.72 11.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 120.571 1.532 . . . . 0.0 111.788 171.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.11 -35.91 56.0 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.072 0.851 . . . . 0.0 111.993 174.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -48.56 -60.83 2.38 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -157.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.3 m-90 -71.12 -40.99 71.1 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.893 1.224 . . . . 0.0 110.726 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -61.63 -23.66 66.19 Favored 'General case' 0 C--O 1.225 -0.225 0 CA-C-O 117.231 -1.366 . . . . 0.0 112.484 -179.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -73.24 -24.07 60.43 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 120.364 1.438 . . . . 0.0 113.654 172.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.6 mm -86.87 -50.14 14.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 173.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.0 tmtt? -76.31 47.39 0.46 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.331 1.852 . . . . 0.0 109.697 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -110.64 13.91 22.44 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 126.252 1.821 . . . . 0.0 112.554 -167.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 153.05 -19.44 0.74 Allowed Glycine 0 CA--C 1.526 0.76 0 C-N-CA 124.592 1.091 . . . . 0.0 110.552 179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -142.17 -170.57 3.19 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 127.407 2.283 . . . . 0.0 108.72 172.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 28.0 m -98.61 -164.65 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 C-N-CA 125.296 1.439 . . . . 0.0 109.668 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 C--O 1.248 1.007 0 O-C-N 121.254 -0.904 . . . . 0.0 109.543 171.688 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 117.597 -1.192 . . . . 0.0 113.941 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.79 152.39 3.58 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 119.617 1.098 . . . . 0.0 113.928 -168.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.16 150.97 76.42 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.778 2.319 . . . . 0.0 110.551 170.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.24 -168.63 30.22 Favored Glycine 0 C--O 1.238 0.366 0 N-CA-C 109.922 -1.271 . . . . 0.0 109.922 -161.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -73.83 -169.98 20.29 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 124.504 1.049 . . . . 0.0 113.067 -172.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -121.04 161.99 20.74 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 -169.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.5 t -157.14 117.37 3.51 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.461 -0.941 . . . . 0.0 108.461 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -133.36 22.96 4.06 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.813 1.245 . . . . 0.0 111.712 -175.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -75.28 30.33 0.1 Allowed 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 117.562 2.43 . . . . 0.0 117.562 -158.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -72.27 59.05 0.4 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 126.071 1.748 . . . . 0.0 115.341 -168.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -77.26 49.04 0.67 Allowed 'General case' 0 N--CA 1.473 0.683 0 O-C-N 119.359 -2.088 . . . . 0.0 111.656 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.1 m -80.37 153.92 28.03 Favored 'General case' 0 C--O 1.241 0.613 0 C-N-CA 125.164 1.386 . . . . 0.0 108.635 176.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -90.5 3.43 53.97 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -86.48 171.26 11.23 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 124.345 1.058 . . . . 0.0 111.366 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 53.1 p -93.19 179.48 5.41 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 126.652 1.981 . . . . 0.0 108.572 -178.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 t -80.73 -38.31 29.0 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 120.737 -1.227 . . . . 0.0 108.519 166.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -67.57 -9.27 41.21 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -176.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -113.98 -14.11 12.46 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.542 1.065 . . . . 0.0 112.832 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.86 -8.52 56.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.919 1.688 . . . . 0.0 113.338 170.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 -69.08 0.39 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 119.866 1.212 . . . . 0.0 112.259 -164.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -68.98 -20.86 64.18 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.952 0.501 . . . . 0.0 111.581 -177.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.505 ' HG ' HG21 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -52.22 -45.87 65.43 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 124.719 1.207 . . . . 0.0 111.172 166.192 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.98 -28.14 57.75 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.861 175.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -60.33 -51.96 67.31 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-N 119.59 1.087 . . . . 0.0 108.802 179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.9 -54.64 14.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.284 0.634 . . . . 0.0 111.761 178.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 8.8 t80 -70.25 -5.8 30.19 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -171.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.2 t60 -72.3 -52.34 16.69 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.151 0.581 . . . . 0.0 109.484 168.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 84.0 m -72.76 -55.75 6.27 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.814 1.246 . . . . 0.0 109.655 -175.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.84 102.84 9.1 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 122.698 1.237 . . . . 0.0 108.13 -168.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.45 39.94 0.48 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.431 1.492 . . . . 0.0 110.37 -166.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -171.93 138.83 1.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 126.953 2.101 . . . . 0.0 105.774 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.0 mt -117.31 102.04 8.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -65.14 -179.31 0.55 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.268 1.427 . . . . 0.0 111.851 174.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.88 -51.4 16.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.275 1.43 . . . . 0.0 113.036 -172.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.7 m -57.45 -51.94 67.4 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.604 1.562 . . . . 0.0 110.396 177.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -72.99 -40.39 65.29 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.749 2.019 . . . . 0.0 108.876 -163.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 41.6 ttp180 -64.69 -23.04 67.12 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.097 -1.627 . . . . 0.0 111.769 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 t -85.25 -10.91 55.98 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 120.487 1.494 . . . . 0.0 112.395 173.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -68.73 -66.81 0.53 Allowed 'General case' 0 C--N 1.342 0.273 0 CA-C-N 120.741 1.61 . . . . 0.0 109.659 -170.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.505 HG21 ' HG ' ' A' ' 22' ' ' LEU . 4.7 mp -58.36 -45.92 89.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.81 -6.5 2.73 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.2 1.4 . . . . 0.0 114.522 -177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.6 t-160 -136.16 14.35 3.29 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.959 1.254 . . . . 0.0 111.547 172.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -98.5 -46.43 5.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.79 1.236 . . . . 0.0 109.94 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 40' ' ' ILE . 1.1 mt -101.77 -88.16 0.39 Allowed 'General case' 0 C--N 1.349 0.586 0 CA-C-O 117.451 -1.261 . . . . 0.0 111.276 -169.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mppt? -159.92 -1.21 0.07 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 128.029 2.531 . . . . 0.0 114.736 -167.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.8 mp -81.74 151.49 27.45 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.843 1.257 . . . . 0.0 110.377 -166.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.68 128.91 36.16 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 125.47 1.508 . . . . 0.0 109.933 170.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -48.48 -43.11 34.59 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.2 1.4 . . . . 0.0 112.013 178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 89.0 t -47.81 -53.03 5.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.245 1.418 . . . . 0.0 110.232 175.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -36.53 82.71 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.277 1.831 . . . . 0.0 110.643 -176.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 75.0 t -70.87 -43.45 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 125.489 1.516 . . . . 0.0 110.24 -174.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -50.38 -40.49 49.76 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 121.366 -0.834 . . . . 0.0 110.886 175.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 43.2 mt -77.11 -22.45 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 C-N-CA 124.299 1.04 . . . . 0.0 110.468 -176.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.416 ' CD2' ' HG3' ' A' ' 58' ' ' ARG . 19.3 t90 -56.56 -40.94 76.03 Favored 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 120.687 1.585 . . . . 0.0 108.577 174.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -65.63 -34.39 78.11 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 121.591 -0.693 . . . . 0.0 111.653 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . 0.358 0.1 OUTLIER -72.66 -16.42 61.7 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 173.552 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -111.82 -1.19 15.65 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.416 ' HG3' ' CD2' ' A' ' 54' ' ' TRP . 12.9 mmm180 -101.13 4.51 42.16 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 115.024 1.49 . . . . 0.0 115.024 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.2 mtp180 -106.25 -6.75 18.21 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 122.178 2.263 . . . . 0.0 113.581 -177.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -95.21 -16.78 22.26 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 119.951 1.25 . . . . 0.0 114.085 -171.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -59.19 -56.07 26.89 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.055 1.298 . . . . 0.0 110.728 -170.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.9 m-90 -59.18 -46.31 88.76 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -55.0 -49.67 70.94 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.988 1.315 . . . . 0.0 111.122 176.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -47.52 -53.86 13.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 119.922 1.237 . . . . 0.0 112.447 -172.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.2 mp -72.58 -39.92 61.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.974 0.91 . . . . 0.0 111.17 178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.9 tttp -78.18 -20.17 52.48 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.168 -0.957 . . . . 0.0 112.726 -172.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.49 172.79 7.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 127.683 2.393 . . . . 0.0 109.133 174.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.24 92.16 0.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 108.734 -1.746 . . . . 0.0 108.734 -176.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -74.81 161.44 29.59 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 117.558 0.679 . . . . 0.0 109.6 168.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.58 140.22 18.82 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 CA-C-O 121.339 0.59 . . . . 0.0 109.641 168.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.247 0.969 0 C-N-CA 125.87 1.668 . . . . 0.0 107.391 168.796 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.468 0.447 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.84 85.36 61.02 Favored Pre-proline 0 C--O 1.236 0.345 0 C-N-CA 125.93 1.692 . . . . 0.0 108.572 -179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -67.67 170.35 14.07 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 121.408 1.405 . . . . 0.0 110.24 168.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.83 155.2 26.44 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -174.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 122.01 131.96 4.01 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 107.197 -2.361 . . . . 0.0 107.197 -174.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -141.65 137.58 31.9 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 -169.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.9 m -143.48 166.55 24.48 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -133.98 16.23 3.87 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.648 1.979 . . . . 0.0 111.39 171.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -75.47 119.51 19.65 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 126.062 1.745 . . . . 0.0 112.329 -174.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -64.26 92.33 0.08 Allowed 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.332 -0.855 . . . . 0.0 108.92 162.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt180 -141.01 63.63 1.44 Allowed 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.076 0.95 . . . . 0.0 108.483 159.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.4 m -66.29 138.52 57.7 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 168.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.78 70.05 1.33 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 166.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -98.71 165.89 11.58 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.469 ' H ' ' HG3' ' A' ' 18' ' ' GLN . 1.3 p -120.95 172.27 8.04 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.433 1.493 . . . . 0.0 108.359 -177.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.5 t -60.91 -32.5 71.97 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 119.072 -0.49 . . . . 0.0 111.023 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -69.58 -19.38 63.67 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.617 1.167 . . . . 0.0 112.046 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' H ' ' A' ' 15' ' ' THR . 2.8 mt-30 -96.8 -43.03 7.69 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 125.169 1.388 . . . . 0.0 108.763 -177.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 mt -67.67 -12.74 61.14 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 124.779 1.232 . . . . 0.0 112.618 -173.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.14 -55.05 15.83 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 120.662 1.574 . . . . 0.0 108.177 -167.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -72.44 -26.87 62.0 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.12 0.968 . . . . 0.0 111.376 -174.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.3 tp -79.88 -33.15 40.21 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 127.653 2.381 . . . . 0.0 111.603 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -79.07 -26.3 43.05 Favored 'General case' 0 C--O 1.238 0.469 0 O-C-N 121.945 -0.472 . . . . 0.0 109.94 167.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -73.75 -38.44 64.74 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 118.109 -0.948 . . . . 0.0 111.109 -178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -55.94 -51.46 67.58 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 119.362 0.983 . . . . 0.0 108.973 177.458 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -78.37 13.23 1.61 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.016 1.326 . . . . 0.0 112.375 -168.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -113.0 -5.37 13.79 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 119.645 1.111 . . . . 0.0 111.671 170.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 68.8 m -126.94 -0.66 6.59 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 174.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.25 132.64 26.75 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 119.557 1.072 . . . . 0.0 108.336 163.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -71.4 -11.71 61.03 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.567 165.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -137.93 100.78 4.26 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.355 0.98 . . . . 0.0 111.451 -164.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 32' ' ' LEU . 11.1 mt -69.18 113.58 6.66 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 168.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.2 t -159.25 -160.71 0.87 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 129.476 3.11 . . . . 0.0 104.955 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? 52.52 40.1 29.17 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.389 1.876 . . . . 0.0 111.916 174.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . 0.296 1.4 t 51.27 10.84 0.09 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 127.578 2.351 . . . . 0.0 115.001 -171.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HA ' ' HG3' ' A' ' 39' ' ' GLN . 2.7 mm-40 -65.69 -33.88 76.92 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 120.162 -1.587 . . . . 0.0 108.931 174.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -3.13 4.87 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-O 118.662 -0.685 . . . . 0.0 112.793 175.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.0 m -122.16 13.66 10.46 Favored 'General case' 0 N--CA 1.442 -0.841 0 C-N-CA 125.628 1.571 . . . . 0.0 108.959 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.484 ' HG3' ' HA ' ' A' ' 36' ' ' GLU . 4.8 mm100 -79.0 -64.39 1.19 Allowed 'General case' 0 C--N 1.345 0.392 0 CA-C-N 119.198 0.908 . . . . 0.0 108.651 172.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.1 mp -62.38 -35.58 70.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -163.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.06 -13.79 62.27 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 177.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -111.67 -15.11 13.52 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.761 1.164 . . . . 0.0 112.228 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -109.58 -17.99 13.6 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 117.648 -1.168 . . . . 0.0 111.472 -157.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 mt -122.98 -86.06 0.65 Allowed 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 119.155 0.889 . . . . 0.0 112.702 176.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.44 43.46 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 128.725 2.81 . . . . 0.0 109.494 -172.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 18' ' ' GLN . 5.8 mp -113.08 -169.43 1.48 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.315 1.046 . . . . 0.0 108.789 176.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.8 m -137.31 134.69 36.35 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.477 1.511 . . . . 0.0 110.287 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -39.84 95.84 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.065 0.946 . . . . 0.0 113.492 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.2 t -58.57 -45.14 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.88 -35.84 71.56 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.397 0.679 . . . . 0.0 110.385 -174.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.404 HG23 ' H ' ' A' ' 51' ' ' VAL . 3.7 t -60.96 -37.77 77.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 121.158 -0.964 . . . . 0.0 110.74 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.7 ttpt -54.69 -23.1 15.98 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.981 0.912 . . . . 0.0 111.201 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.3 mt -109.96 -26.44 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 126.128 1.771 . . . . 0.0 111.151 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -54.69 -39.79 68.5 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 120.825 1.648 . . . . 0.0 109.669 173.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -52.35 -40.96 62.63 Favored 'General case' 0 C--N 1.339 0.132 0 C-N-CA 124.479 1.112 . . . . 0.0 112.708 173.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -55.32 -46.48 76.33 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.805 1.642 . . . . 0.0 110.01 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -66.11 -49.71 66.55 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 124.311 1.044 . . . . 0.0 110.302 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -61.85 -21.04 64.33 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.72 -177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -80.67 -1.48 42.63 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.948 -172.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.55 -58.62 2.74 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 120.347 1.43 . . . . 0.0 109.725 179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -44.84 -72.79 0.05 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.863 1.265 . . . . 0.0 113.732 -158.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 3.3 m-90 -66.87 -25.24 66.31 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 120.883 -1.136 . . . . 0.0 111.635 -178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -73.52 -28.37 61.85 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 116.998 -1.477 . . . . 0.0 111.819 -178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 21.7 mtt-85 -58.66 -43.19 89.78 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 120.747 1.612 . . . . 0.0 109.74 169.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.6 mt -68.54 -58.3 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.483 ' HE3' ' CG1' ' A' ' 70' ' ' VAL . 3.7 tmtp? -73.12 23.09 0.06 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 127.493 2.317 . . . . 0.0 112.195 -177.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.39 88.49 3.18 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 125.404 1.482 . . . . 0.0 109.115 -177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.07 -128.36 8.52 Favored Glycine 0 N--CA 1.452 -0.28 0 CA-C-O 118.904 -0.942 . . . . 0.0 111.187 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -62.37 -179.36 0.23 Allowed 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 122.144 0.974 . . . . 0.0 111.857 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.483 ' CG1' ' HE3' ' A' ' 66' ' ' LYS . 35.5 m -124.53 165.35 21.58 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 C-N-CA 124.232 1.013 . . . . 0.0 108.794 172.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.08 1.352 . . . . 0.0 109.66 -176.429 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.467 0.391 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.48 157.63 71.29 Favored Pre-proline 0 CA--C 1.541 0.614 0 CA-C-N 119.052 0.842 . . . . 0.0 109.037 159.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -69.34 170.54 15.84 Favored 'Trans proline' 0 N--CA 1.46 -0.494 0 C-N-CA 123.117 2.545 . . . . 0.0 110.424 169.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.11 -99.87 2.54 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 107.303 -2.319 . . . . 0.0 107.303 165.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.56 -113.18 0.44 Allowed Glycine 0 N--CA 1.45 -0.389 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 177.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.62 125.54 24.59 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 118.058 0.929 . . . . 0.0 109.004 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 82.8 p -142.0 173.12 11.8 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.127 0.421 . . . . 0.0 111.253 176.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.54 71.09 1.43 Allowed 'General case' 0 C--O 1.234 0.263 0 C-N-CA 124.149 0.98 . . . . 0.0 111.345 -162.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -132.33 153.55 50.62 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 121.33 -0.856 . . . . 0.0 111.167 171.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? -62.39 76.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 128.255 2.622 . . . . 0.0 110.379 169.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.78 43.93 1.04 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.998 0.919 . . . . 0.0 109.321 178.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.84 150.45 13.06 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.246 -0.909 . . . . 0.0 108.783 166.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -116.73 5.34 13.12 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 126.359 1.863 . . . . 0.0 111.851 173.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -79.85 178.56 8.11 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.253 1.421 . . . . 0.0 110.261 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.5 p -141.82 169.19 18.05 Favored 'General case' 0 N--CA 1.449 -0.515 0 C-N-CA 124.924 1.29 . . . . 0.0 108.983 -169.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -59.92 -43.64 94.76 Favored 'General case' 0 C--O 1.23 0.035 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 -178.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.06 -34.6 70.29 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.193 0.52 . . . . 0.0 111.242 -177.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -94.22 -9.47 36.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.96 1.304 . . . . 0.0 111.908 -172.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 HD23 ' A' ' 22' ' ' LEU . 44.1 mt -98.04 -8.27 28.17 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.175 1.39 . . . . 0.0 111.746 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -66.56 -53.69 31.88 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 124.317 1.047 . . . . 0.0 109.716 -163.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.5 -32.92 48.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 126.199 1.8 . . . . 0.0 109.149 -178.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.4 HD23 HD23 ' A' ' 19' ' ' LEU . 37.9 tp -68.7 -51.09 45.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.534 1.934 . . . . 0.0 111.287 -173.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.85 -35.34 80.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 119.528 -0.273 . . . . 0.0 110.63 173.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -61.94 -48.82 78.69 Favored 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 123.606 0.762 . . . . 0.0 110.309 176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -60.42 -43.26 96.93 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 124.065 0.946 . . . . 0.0 110.015 176.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 24.6 t80 -78.43 -5.81 53.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.075 -1.016 . . . . 0.0 112.147 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -67.67 -30.23 69.71 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 119.1 0.864 . . . . 0.0 109.9 169.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 61.3 m -102.39 -6.54 22.9 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.87 0.868 . . . . 0.0 112.433 -171.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.604 ' HE3' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -155.7 127.87 7.63 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 119.265 0.939 . . . . 0.0 111.478 -174.541 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -73.07 -6.74 47.64 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -170.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -144.08 166.25 25.52 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 119.823 1.192 . . . . 0.0 108.86 -167.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.604 HD12 ' HE3' ' A' ' 29' ' ' LYS . 5.5 tp -123.97 104.4 8.89 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 -178.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 20.0 m -65.01 176.61 1.19 Allowed 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 126.677 1.991 . . . . 0.0 111.858 175.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.43 -61.06 2.87 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.102 0.961 . . . . 0.0 109.083 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 t -44.95 -48.95 11.38 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 126.452 1.901 . . . . 0.0 111.189 169.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -68.19 -44.35 76.08 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 124.578 1.151 . . . . 0.0 110.009 -171.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.65 -48.11 72.71 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.683 173.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -69.29 -23.24 63.8 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.234 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -67.49 -63.31 1.08 Allowed 'General case' 0 CA--C 1.513 -0.465 0 CA-C-N 120.609 1.549 . . . . 0.0 107.553 -171.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.479 HG22 HD22 ' A' ' 46' ' ' LEU . 5.0 mp -64.07 -39.68 86.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.32 -21.61 65.4 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-O 117.474 -1.251 . . . . 0.0 113.396 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 9.1 t-80 -123.35 23.21 9.11 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.988 1.267 . . . . 0.0 110.733 173.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -90.42 -54.98 3.77 Favored 'General case' 0 N--CA 1.448 -0.572 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 172.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -114.63 -88.25 0.57 Allowed 'General case' 0 C--N 1.343 0.302 0 CA-C-O 118.995 -0.526 . . . . 0.0 111.521 -160.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -155.1 13.67 0.38 Allowed 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.386 1.875 . . . . 0.0 112.496 -170.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.479 HD22 HG22 ' A' ' 40' ' ' ILE . 6.7 mp -80.44 -175.71 5.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.765 1.626 . . . . 0.0 110.803 -170.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.4 t -129.75 134.66 47.74 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 169.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -48.74 -45.94 40.31 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.336 1.854 . . . . 0.0 111.614 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 46.7 t -63.68 -28.37 44.84 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.265 0 C-N-CA 123.833 0.853 . . . . 0.0 110.824 -173.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.21 -39.91 28.17 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 119.619 1.099 . . . . 0.0 111.086 176.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 94.7 t -60.87 -38.34 78.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -174.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -2.78 2.21 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 176.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.462 ' HA ' ' CG ' ' A' ' 56' ' ' GLN . 4.5 mt -119.51 -21.88 4.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 119.788 1.176 . . . . 0.0 110.323 175.065 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -59.19 -26.17 64.58 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.713 -1.242 . . . . 0.0 112.464 -175.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -78.33 -47.99 16.56 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.359 -0.838 . . . . 0.0 111.761 170.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.462 ' CG ' ' HA ' ' A' ' 53' ' ' ILE . 0.8 OUTLIER -71.04 -35.01 71.81 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 120.608 -1.307 . . . . 0.0 111.748 -171.357 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -72.54 -15.48 61.77 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 117.621 -1.18 . . . . 0.0 113.118 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -80.82 -15.02 57.5 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 120.082 1.31 . . . . 0.0 112.147 -176.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -60.93 -23.96 65.67 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 -161.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.01 -11.33 59.79 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-N 119.104 0.866 . . . . 0.0 113.306 178.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -51.3 -53.52 35.03 Favored 'General case' 0 C--O 1.228 -0.069 0 C-N-CA 124.363 1.065 . . . . 0.0 111.431 -169.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.4 m-90 -71.39 -35.82 71.19 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.066 0.546 . . . . 0.0 111.185 177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -65.86 -25.01 67.0 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 120.887 -1.133 . . . . 0.0 112.047 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -9.8 1.75 Allowed 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 120.435 1.471 . . . . 0.0 113.482 168.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.1 mt -123.83 -33.44 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 C-N-CA 125.303 1.441 . . . . 0.0 109.151 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -90.35 49.01 1.62 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.794 2.038 . . . . 0.0 110.937 177.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.03 -162.17 1.45 Allowed 'General case' 0 C--O 1.235 0.341 0 C-N-CA 125.27 1.428 . . . . 0.0 110.066 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -89.43 18.1 48.01 Favored Glycine 0 CA--C 1.528 0.87 0 C-N-CA 126.258 1.885 . . . . 0.0 111.734 169.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -89.56 -177.48 5.32 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.643 1.221 . . . . 0.0 109.146 162.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.6 p -170.45 135.65 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 N-CA-C 102.67 -3.085 . . . . 0.0 102.67 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 C--O 1.254 1.308 0 C-N-CA 124.034 0.934 . . . . 0.0 110.618 -168.719 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.472 0.641 0 CA-C-O 117.87 -1.062 . . . . 0.0 108.605 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -147.92 152.97 41.61 Favored Pre-proline 0 CA--C 1.534 0.347 0 CA-C-N 120.086 1.312 . . . . 0.0 111.134 -175.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -67.41 -176.24 0.83 Allowed 'Trans proline' 0 CA--C 1.539 0.735 0 C-N-CA 124.682 3.588 . . . . 0.0 111.337 172.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.49 154.9 26.0 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 162.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.07 154.29 15.59 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 125.295 1.426 . . . . 0.0 109.672 174.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -174.64 92.65 0.07 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.766 1.626 . . . . 0.0 111.86 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 61.9 m -140.24 82.37 1.86 Allowed 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.942 0.897 . . . . 0.0 111.009 166.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -148.91 146.41 27.87 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 172.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -66.65 138.27 57.31 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 120.214 1.37 . . . . 0.0 109.703 -175.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 -132.33 109.22 9.72 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 125.299 1.44 . . . . 0.0 108.913 177.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -102.23 31.73 3.85 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.594 0.758 . . . . 0.0 110.547 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 m -139.35 160.87 38.83 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 120.873 -1.142 . . . . 0.0 108.422 175.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.98 12.15 1.92 Allowed 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 174.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -117.2 -173.53 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.543 1.137 . . . . 0.0 110.328 -172.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 63.3 p -132.6 167.16 20.55 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 127.541 2.336 . . . . 0.0 107.008 -174.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -66.9 -36.96 83.46 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.656 1.116 . . . . 0.0 110.588 -177.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -59.48 -45.08 92.67 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.101 1.76 . . . . 0.0 111.06 174.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -70.78 -21.56 62.48 Favored 'General case' 0 CA--C 1.531 0.229 0 O-C-N 120.744 -1.223 . . . . 0.0 112.789 176.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.2 mp -83.42 -9.92 58.72 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.974 1.31 . . . . 0.0 111.306 178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.17 -54.6 6.07 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 120.892 1.678 . . . . 0.0 108.308 -162.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -57.88 -38.61 76.07 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.494 1.518 . . . . 0.0 109.518 172.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -50.74 72.41 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.457 1.503 . . . . 0.0 110.283 -176.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.6 mt-10 -76.36 -27.65 56.5 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 122.707 0.403 . . . . 0.0 112.079 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 64.7 tttt -59.79 -31.76 70.0 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.055 0.942 . . . . 0.0 111.606 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -8.36 56.07 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 174.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -89.36 -0.81 57.76 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 120.629 -1.294 . . . . 0.0 111.678 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -87.0 -47.36 9.01 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.296 0.953 . . . . 0.0 111.167 -178.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 91.7 m -101.61 -8.01 22.21 Favored 'General case' 0 C--O 1.24 0.586 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -164.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.54 108.96 2.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 125.655 1.582 . . . . 0.0 108.881 -176.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.6 tmtm? -76.39 35.72 0.15 Allowed 'General case' 0 CA--C 1.543 0.704 0 O-C-N 121.549 -0.72 . . . . 0.0 111.885 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 5.4 p90 -164.54 103.33 0.82 Allowed 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 120.368 -1.457 . . . . 0.0 108.187 -176.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.9 mt -70.29 117.86 12.38 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 163.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -131.89 -172.24 2.82 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 131.01 3.724 . . . . 0.0 106.331 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 34' ' ' LEU . 1.7 tm? 49.84 38.09 15.01 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.572 1.149 . . . . 0.0 112.404 164.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 t 48.96 21.88 0.51 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.08 1.352 . . . . 0.0 113.47 -178.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -61.73 -31.49 71.66 Favored 'General case' 0 CA--C 1.516 -0.358 0 O-C-N 119.758 -1.839 . . . . 0.0 109.091 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -57.65 -34.58 69.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 113.912 -1.495 . . . . 0.0 111.891 175.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.3 m -87.93 -6.17 58.18 Favored 'General case' 0 N--CA 1.434 -1.25 0 C-N-CA 124.851 1.261 . . . . 0.0 110.536 -177.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.65 -51.88 44.75 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 172.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.552 HG23 HD12 ' A' ' 44' ' ' LEU . 3.5 mp -54.15 -42.3 55.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 CA-C-N 119.033 0.833 . . . . 0.0 109.734 176.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.01 -30.02 65.75 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.023 0.929 . . . . 0.0 113.329 178.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -100.46 -34.94 9.73 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 119.693 1.133 . . . . 0.0 111.188 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.69 -40.37 25.53 Favored 'General case' 0 N--CA 1.434 -1.254 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 -161.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.552 HD12 HG23 ' A' ' 40' ' ' ILE . 11.8 mt -99.69 -88.34 0.34 Allowed 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 119.363 -0.935 . . . . 0.0 109.81 -169.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -159.46 4.72 0.09 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.378 1.871 . . . . 0.0 112.527 -169.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 46' ' ' LEU . 5.8 mp -94.93 -174.48 3.27 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -163.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.0 t -138.64 146.27 41.48 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 174.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -61.86 -34.52 76.15 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 123.573 0.749 . . . . 0.0 111.294 -175.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.6 t -54.94 -45.49 76.0 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.293 0 C-N-CA 124.213 1.005 . . . . 0.0 110.329 172.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -40.89 63.5 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 117.962 0.346 . . . . 0.0 110.115 -175.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.43 -33.71 44.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.855 0.862 . . . . 0.0 110.276 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.2 ttmt -44.65 -45.18 9.52 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.63 1.572 . . . . 0.0 113.792 175.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 3.2 mp -85.3 -22.12 7.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.141 0 O-C-N 121.353 -0.842 . . . . 0.0 110.209 -166.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -58.05 -36.25 72.5 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 121.212 -0.93 . . . . 0.0 109.689 171.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -73.1 -36.14 66.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.311 -0.852 . . . . 0.0 112.101 173.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -54.16 -39.83 66.91 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 120.213 1.37 . . . . 0.0 110.623 -176.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.64 -67.6 0.29 Allowed 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.299 1.04 . . . . 0.0 109.277 170.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 69.0 mmt-85 -71.02 28.61 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.955 1.702 . . . . 0.0 113.773 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -123.46 10.18 9.14 Favored 'General case' 0 CA--C 1.522 -0.101 0 C-N-CA 124.565 1.146 . . . . 0.0 112.357 172.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -89.02 -41.64 12.22 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 120.274 1.397 . . . . 0.0 112.969 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.5 tmtm? -48.46 -48.75 37.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.407 1.262 . . . . 0.0 114.407 -164.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 1.8 m-90 -83.45 -40.01 19.83 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 123.704 0.802 . . . . 0.0 109.974 -178.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.63 -31.47 68.15 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 117.918 -1.039 . . . . 0.0 111.395 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.2 -71.15 0.08 Allowed 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 124.691 1.196 . . . . 0.0 110.004 171.442 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.5 mt -63.21 -37.48 79.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 122.862 0.465 . . . . 0.0 109.764 -172.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.08 16.64 6.81 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 117.9 -1.047 . . . . 0.0 112.255 -174.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.12 114.94 0.88 Allowed 'General case' 0 C--N 1.34 0.158 0 C-N-CA 126.1 1.76 . . . . 0.0 109.666 179.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -71.6 117.18 6.46 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 124.658 1.123 . . . . 0.0 110.402 -171.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -137.3 72.99 1.43 Allowed 'General case' 0 C--O 1.233 0.226 0 CA-C-N 117.66 0.73 . . . . 0.0 109.092 173.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 37.4 t -128.83 123.77 59.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 105.244 -2.132 . . . . 0.0 105.244 170.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.249 1.078 0 CA-C-O 114.691 -2.576 . . . . 0.0 107.302 -167.51 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.343 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.07 152.49 93.68 Favored Pre-proline 0 C--O 1.238 0.489 0 C-N-CA 122.805 0.442 . . . . 0.0 111.342 -171.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -68.25 124.14 11.37 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.671 2.247 . . . . 0.0 109.535 170.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.76 72.58 0.46 Allowed Glycine 0 C--N 1.333 0.414 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.05 139.21 14.49 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 107.6 17.43 Favored 'General case' 0 N--CA 1.461 0.105 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -167.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.5 t -152.82 172.27 16.98 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.815 0.734 . . . . 0.0 110.482 177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -73.0 29.8 0.06 Allowed 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.332 1.853 . . . . 0.0 113.654 179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.45 112.42 1.41 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.541 0.736 . . . . 0.0 109.957 -174.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -72.65 51.59 0.27 Allowed 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 123.761 0.824 . . . . 0.0 111.813 165.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -81.18 73.59 8.22 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.389 -1.338 . . . . 0.0 107.389 167.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.51 175.24 2.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 122.398 0.279 . . . . 0.0 110.51 165.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -146.29 39.86 1.11 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.416 1.486 . . . . 0.0 110.983 -175.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -125.98 -165.29 1.41 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 125.379 1.472 . . . . 0.0 108.899 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.85 162.68 37.16 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 127.321 2.249 . . . . 0.0 106.281 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.5 t -51.72 -33.72 35.74 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 163.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -68.57 -10.0 53.04 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 121.359 -0.838 . . . . 0.0 113.115 -178.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -129.44 2.3 5.07 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.483 1.513 . . . . 0.0 112.016 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.6 mp -95.77 -3.46 45.73 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 126.502 1.921 . . . . 0.0 111.725 170.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -52.84 63.51 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-N 119.285 0.948 . . . . 0.0 109.283 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -73.32 -36.9 66.3 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.024 0.93 . . . . 0.0 109.473 -178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.67 -38.49 70.64 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.898 1.279 . . . . 0.0 110.918 -168.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -80.85 -28.56 36.03 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 118.028 -0.987 . . . . 0.0 111.596 172.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -57.36 -51.34 69.79 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 118.464 -0.779 . . . . 0.0 109.606 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.07 1.35 0.46 Allowed 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.958 2.103 . . . . 0.0 114.708 174.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.46 16.47 15.62 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.068 1.347 . . . . 0.0 111.261 173.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -98.85 -41.89 7.42 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.36 0.664 . . . . 0.0 111.66 175.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.3 m -76.49 -26.68 55.56 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.6 1.16 . . . . 0.0 112.593 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.56 171.37 18.24 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 124.256 1.022 . . . . 0.0 109.3 -164.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -121.54 3.77 10.17 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -163.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -152.57 98.89 2.41 Favored 'General case' 0 C--O 1.225 -0.215 0 C-N-CA 124.774 1.23 . . . . 0.0 107.681 -164.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.05 126.11 28.73 Favored 'General case' 0 C--O 1.238 0.466 0 O-C-N 120.303 -1.498 . . . . 0.0 108.12 174.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.58 -177.34 4.77 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.104 0.962 . . . . 0.0 111.755 -178.048 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.09 -55.59 33.02 Favored 'General case' 0 CA--C 1.52 -0.181 0 C-N-CA 126.598 1.959 . . . . 0.0 111.872 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 m -74.77 -38.93 62.04 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -61.63 -41.65 97.79 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.917 1.287 . . . . 0.0 109.075 -167.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -71.63 -19.91 62.05 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.1 t -80.11 -20.18 45.62 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 118.267 -0.873 . . . . 0.0 108.834 174.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -70.09 -43.75 70.45 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 119.03 -1.068 . . . . 0.0 110.387 -163.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.25 -34.87 71.8 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 175.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.93 -9.7 58.31 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.621 -0.704 . . . . 0.0 112.774 176.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -104.88 -5.32 21.21 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.758 1.223 . . . . 0.0 111.552 171.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -99.81 -56.22 2.44 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 124.739 1.216 . . . . 0.0 109.095 -171.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -96.93 -89.4 0.27 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 118.496 -1.281 . . . . 0.0 109.172 -162.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -164.65 15.46 0.05 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 131.107 3.763 . . . . 0.0 111.285 -174.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.6 174.76 9.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.029 1.332 . . . . 0.0 109.648 -176.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 21.3 t -135.83 132.87 37.2 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 125.473 1.509 . . . . 0.0 110.166 176.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -57.21 -34.59 68.69 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.114 1.325 . . . . 0.0 114.103 -174.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.9 p -54.43 -36.31 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 119.238 0.926 . . . . 0.0 112.393 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.84 -38.51 28.12 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.462 0.573 . . . . 0.0 111.889 173.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 76.5 t -57.13 -45.57 84.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 -178.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.7 pttp -53.67 -21.94 7.92 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.8 mt -97.97 -21.51 5.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 119.757 1.162 . . . . 0.0 110.554 -177.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -57.06 -32.63 66.42 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 120.721 -1.237 . . . . 0.0 110.129 173.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -63.07 -47.83 81.27 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.516 0.726 . . . . 0.0 110.737 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.67 -31.74 62.65 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 118.667 0.667 . . . . 0.0 111.785 176.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -64.05 -54.68 30.39 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 176.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.47 -4.37 14.71 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -81.06 -8.01 59.68 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.651 1.569 . . . . 0.0 113.488 -173.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.97 -15.5 20.08 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 118.588 -0.72 . . . . 0.0 112.416 178.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 45.7 tttt -45.66 -63.85 0.87 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.273 1.429 . . . . 0.0 112.015 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 2.0 m-90 -63.07 -30.68 71.79 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.341 -171.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.5 mptp? -66.22 -51.42 57.83 Favored 'General case' 0 C--O 1.224 -0.26 0 C-N-CA 125.149 1.38 . . . . 0.0 111.555 174.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -65.99 -27.08 67.87 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 120.515 1.507 . . . . 0.0 112.495 -178.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 95.7 mt -74.85 -51.98 20.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 N-CA-C 107.818 -1.179 . . . . 0.0 107.818 173.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -81.12 47.07 0.97 Allowed 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.937 1.295 . . . . 0.0 109.69 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -122.84 144.73 49.0 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 126.213 1.805 . . . . 0.0 107.951 172.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.93 95.02 1.79 Allowed Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 107.996 -2.042 . . . . 0.0 107.996 171.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -152.9 -173.66 4.65 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 171.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.9 m -130.07 172.86 15.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 C-N-CA 124.659 1.183 . . . . 0.0 110.354 -168.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 C--O 1.249 1.079 0 CA-C-O 116.611 -1.661 . . . . 0.0 109.408 -155.59 . . . . . . . . 0 0 . 1 stop_ save_