data_1qfn_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 1qfn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.431 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 94.0 mmm . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 118.89 -0.576 . . . . 1.0 110.165 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.33 120.89 38.97 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 126.491 1.917 . . . . 1.0 112.354 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.6 m -120.7 115.18 22.84 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 125.636 1.575 . . . . 1.0 110.162 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.4 t -111.47 132.21 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.418 2.287 . . . . 1.0 111.706 -171.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.52 126.33 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 126.803 2.041 . . . . 1.0 112.255 -171.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -104.72 97.03 6.98 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.191 1.796 . . . . 1.0 113.162 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.99 68.44 1.29 Allowed Glycine 0 CA--C 1.539 1.573 0 C-N-CA 127.343 2.401 . . . . 1.0 118.787 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 25.3 ttt180 -67.55 -60.08 2.84 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 128.095 2.558 . . . . 1.0 109.86 171.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -65.49 72.63 0.05 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.47 2.708 . . . . 1.0 112.202 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.85 -23.89 0.04 OUTLIER Glycine 0 CA--C 1.538 1.49 0 N-CA-C 117.559 1.784 . . . . 1.0 117.559 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.4 p -164.66 144.96 6.19 Favored Pre-proline 0 CA--C 1.553 1.095 0 CA-C-N 119.707 1.754 . . . . 1.0 115.242 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -64.43 -36.82 42.2 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 123.561 2.841 . . . . 1.0 114.579 -172.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . 0.262 7.2 m-30 -68.15 -38.49 82.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 119.115 0.871 . . . . 1.0 112.645 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.461 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.6 t -62.3 -42.9 99.75 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.071 0.949 . . . . 1.0 111.435 171.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.29 -51.62 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-O 118.18 -0.914 . . . . 1.0 110.274 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -54.45 -41.93 70.0 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.695 1.198 . . . . 1.0 111.906 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.98 -46.6 90.07 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 126.026 1.73 . . . . 1.0 113.269 172.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -54.58 45.34 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.248 1.819 . . . . 1.0 112.222 172.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -43.22 63.36 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 128.121 2.568 . . . . 1.0 112.937 176.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -54.3 -48.92 70.74 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.643 1.177 . . . . 1.0 113.298 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.15 91.31 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.825 1.25 . . . . 1.0 113.591 172.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -57.96 -45.27 86.95 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.53 1.532 . . . . 1.0 113.472 172.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.76 -45.03 78.15 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 129.573 3.149 . . . . 1.0 112.586 172.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.9 -43.71 87.41 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.218 1.807 . . . . 1.0 111.29 171.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -57.36 -35.84 70.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.69 1.596 . . . . 1.0 113.658 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -66.3 -47.76 72.55 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.536 2.335 . . . . 1.0 110.705 171.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -63.43 -30.24 71.4 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.436 2.694 . . . . 1.0 113.669 -176.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -133.76 -175.11 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 116.334 1.976 . . . . 1.0 116.334 -172.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -122.02 -27.47 4.58 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 129.957 3.303 . . . . 1.0 115.394 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -68.81 -32.27 71.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 130.756 3.622 . . . . 1.0 116.076 172.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -98.03 102.85 14.72 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.105 2.962 . . . . 1.0 115.423 -171.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -99.3 132.31 44.71 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 128.867 2.867 . . . . 1.0 111.541 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.26 136.39 53.15 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.857 2.463 . . . . 1.0 112.762 -173.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -129.93 133.46 46.85 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.713 -1.242 . . . . 1.0 112.109 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 9.0 t80 -111.11 123.62 50.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.208 1.403 . . . . 1.0 112.531 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 t -124.13 118.57 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 128.209 2.603 . . . . 1.0 110.593 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.309 0.0 OUTLIER -63.97 150.41 45.2 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.296 -1.502 . . . . 1.0 114.007 171.323 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.276 2.0 pp -122.21 -45.11 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.831 1.252 . . . . 1.0 111.592 172.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' B' ' 150' ' ' ILE . 13.4 ttm180 -63.14 -41.67 99.34 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.947 1.299 . . . . 1.0 112.432 174.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.2 -55.64 11.56 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.272 0.942 . . . . 1.0 111.34 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.41 -11.42 22.91 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 130.132 3.373 . . . . 1.0 115.453 -172.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.08 16.72 68.93 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 126.393 1.949 . . . . 1.0 115.537 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mt -99.95 159.25 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 128.449 2.699 . . . . 1.0 110.095 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -148.77 169.03 21.37 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 -171.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.3 0.1 OUTLIER -57.25 -25.17 58.74 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.714 1.206 . . . . 1.0 114.232 173.393 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -68.17 -38.0 81.59 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 127.067 2.147 . . . . 1.0 112.079 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.32 -55.14 9.9 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 127.925 2.49 . . . . 1.0 111.28 171.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.0 mt -54.17 -47.3 72.16 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.176 2.191 . . . . 1.0 113.492 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -59.29 -38.95 81.46 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.352 1.242 . . . . 1.0 114.352 176.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.72 -58.11 8.61 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.973 1.309 . . . . 1.0 111.496 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -50.29 -47.72 55.37 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.083 1.753 . . . . 1.0 114.126 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.02 -23.77 66.62 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.313 1.845 . . . . 1.0 115.757 174.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.64 -1.55 85.61 Favored Glycine 0 CA--C 1.547 2.091 0 C-N-CA 126.92 2.2 . . . . 1.0 117.152 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -126.97 127.11 24.44 Favored Pre-proline 0 N--CA 1.482 1.125 0 C-N-CA 129.672 3.189 . . . . 1.0 111.046 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -56.98 107.38 0.28 Allowed 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.479 3.453 . . . . 1.0 111.792 171.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 m -96.88 151.38 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.308 1.443 . . . . 1.0 110.815 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.6 -40.53 3.57 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.242 1.417 . . . . 1.0 114.277 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.1 p -139.13 -178.32 5.3 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.27 1.828 . . . . 1.0 112.97 -172.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.37 153.38 65.54 Favored Pre-proline 0 N--CA 1.484 1.23 0 C-N-CA 126.659 1.984 . . . . 1.0 111.505 171.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.76 163.55 87.78 Favored 'Cis proline' 0 CA--C 1.545 1.055 0 N-CA-C 115.253 1.213 . . . . 1.0 115.253 7.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -136.06 72.56 1.44 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.718 2.007 . . . . 1.0 111.847 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 84.9 mt -108.93 152.15 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 129.065 2.946 . . . . 1.0 114.43 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -125.59 139.42 53.6 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.997 2.519 . . . . 1.0 109.288 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 t -121.55 135.37 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 126.954 2.101 . . . . 1.0 109.503 172.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.31 0.1 OUTLIER 35.82 53.23 0.85 Allowed 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 128.205 2.602 . . . . 1.0 114.646 -172.416 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 69.1 4.2 4.44 Favored 'General case' 0 CA--C 1.568 1.641 1 C-N-CA 133.284 4.634 . . . . 1.0 115.953 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -103.33 140.38 37.5 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 128.437 2.695 . . . . 1.0 111.157 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -60.78 127.93 34.07 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.554 -1.341 . . . . 1.0 110.518 172.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.8 mm -140.34 98.01 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 129.267 3.027 . . . . 1.0 106.374 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -12.56 -64.25 0.01 OUTLIER Glycine 0 N--CA 1.48 1.599 0 C-N-CA 127.775 2.607 . . . . 1.0 116.496 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.78 -135.4 7.92 Favored Glycine 0 C--O 1.22 -0.742 0 C-N-CA 127.266 2.365 . . . . 1.0 110.068 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -33.25 -47.86 0.21 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.78 2.032 . . . . 1.0 114.468 -173.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.2 t -62.41 -61.94 2.1 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 127.559 2.344 . . . . 1.0 115.557 171.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -51.26 65.12 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.984 2.114 . . . . 1.0 112.421 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -53.96 -48.39 70.35 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 129.267 3.027 . . . . 1.0 113.625 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.08 67.07 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 120.282 1.401 . . . . 1.0 111.895 172.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.78 -41.45 77.7 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.059 1.344 . . . . 1.0 114.378 173.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -63.65 -53.55 49.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.108 2.963 . . . . 1.0 112.974 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.0 -49.45 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.326 1.85 . . . . 1.0 111.04 172.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -54.03 -46.15 71.79 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.567 2.347 . . . . 1.0 113.371 172.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.91 -13.82 18.32 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 126.564 1.945 . . . . 1.0 114.358 171.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -101.01 -59.53 1.68 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 126.206 1.803 . . . . 1.0 114.445 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.62 -29.81 33.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 127.619 2.367 . . . . 1.0 116.212 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.84 -1.93 18.83 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 127.648 2.379 . . . . 1.0 113.214 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.346 0 C-N-CA 131.28 3.832 . . . . 1.0 114.497 -178.922 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 N--CA 1.485 1.292 0 N-CA-C 119.459 3.133 . . . . 1.0 119.459 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.1 t -128.06 -178.23 4.45 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.349 1.611 . . . . 1.0 115.349 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 160.74 0.07 0.07 OUTLIER Glycine 0 N--CA 1.486 2.033 0 N-CA-C 118.201 2.04 . . . . 1.0 118.201 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.76 18.58 2.18 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 129.417 3.087 . . . . 1.0 117.64 172.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 36.4 t -73.46 146.83 44.68 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.887 2.475 . . . . 1.0 114.224 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt 177.06 179.15 0.23 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 127.745 2.418 . . . . 1.0 114.021 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 5.8 tp . . . . . 0 N--CA 1.488 1.443 1 C-N-CA 131.885 4.074 . . . . 1.0 115.468 171.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 116.834 -1.555 . . . . 1.0 108.347 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.21 118.59 32.25 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 117.679 2.474 . . . . 1.0 117.679 -170.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.8 m -119.59 121.0 38.35 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 126.109 1.763 . . . . 1.0 113.029 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.48 124.33 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 127.656 2.383 . . . . 1.0 111.291 -173.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -113.19 121.34 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 C-N-CA 125.641 1.576 . . . . 1.0 112.687 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -99.91 111.12 23.44 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.087 1.755 . . . . 1.0 113.634 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.04 54.7 3.12 Favored Glycine 0 CA--C 1.54 1.605 0 N-CA-C 119.53 2.572 . . . . 1.0 119.53 169.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -65.32 -54.44 29.06 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 119.721 1.76 . . . . 1.0 113.325 171.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -62.39 92.49 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.319 2.648 . . . . 1.0 113.625 -169.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.46 -0.51 8.06 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 118.682 2.233 . . . . 1.0 118.682 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 p -141.37 116.91 7.2 Favored Pre-proline 0 CA--C 1.556 1.186 0 CA-C-N 120.509 2.155 . . . . 1.0 113.409 173.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -61.33 -27.74 83.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 124.451 3.434 . . . . 1.0 115.66 -169.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -68.67 -38.58 80.51 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.69 0.796 . . . . 1.0 111.456 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -68.99 -38.61 79.41 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.852 2.061 . . . . 1.0 113.201 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.7 t -53.25 -54.27 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.707 1.203 . . . . 1.0 111.626 170.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -57.54 -42.07 82.22 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.247 1.419 . . . . 1.0 111.469 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.58 69.23 Favored 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 115.161 1.541 . . . . 1.0 115.161 171.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -53.5 50.81 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.026 1.331 . . . . 1.0 113.315 173.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -52.92 -41.95 64.94 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.981 2.112 . . . . 1.0 112.597 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.25 -48.05 74.54 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.55 1.94 . . . . 1.0 113.883 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.54 95.8 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.893 1.277 . . . . 1.0 113.99 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.86 -41.85 96.7 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.313 1.445 . . . . 1.0 114.259 173.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -52.2 -52.17 53.79 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 128.923 2.889 . . . . 1.0 110.947 169.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.08 -48.66 80.68 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 126.507 1.923 . . . . 1.0 113.784 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t -56.5 -36.38 69.1 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.674 1.59 . . . . 1.0 114.76 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -42.42 75.09 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.398 2.279 . . . . 1.0 114.497 169.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -63.43 -26.24 68.64 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.464 1.906 . . . . 1.0 113.373 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -137.25 171.52 14.37 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 116.74 2.126 . . . . 1.0 116.74 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -112.11 -1.03 15.43 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 127.286 2.234 . . . . 1.0 115.39 171.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.8 p-10 -85.26 -32.91 22.31 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.75 2.02 . . . . 1.0 114.769 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -95.97 104.65 16.6 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 129.106 2.962 . . . . 1.0 112.734 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -95.8 133.16 40.26 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 130.278 3.431 . . . . 1.0 110.152 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 138.67 54.26 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.317 1.447 . . . . 1.0 114.474 -171.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -128.53 131.14 48.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.629 1.572 . . . . 1.0 111.823 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -109.2 126.64 53.49 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.648 1.579 . . . . 1.0 114.47 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.33 111.87 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 125.443 1.497 . . . . 1.0 112.761 174.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.291 0.0 OUTLIER -65.09 155.08 35.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 119.333 -2.104 . . . . 1.0 113.56 167.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.265 2.0 pp -110.92 -39.44 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 124.608 1.163 . . . . 1.0 111.584 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -70.51 -26.82 63.77 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.218 1.807 . . . . 1.0 113.863 170.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.26 -57.16 3.19 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.521 1.528 . . . . 1.0 112.506 173.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.29 -20.92 65.9 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 117.13 2.27 . . . . 1.0 117.13 175.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.3 51.21 4.22 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 125.353 1.454 . . . . 1.0 114.318 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mt -122.46 159.95 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 128.964 2.906 . . . . 1.0 110.676 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -151.88 166.17 32.27 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.47 1.508 . . . . 1.0 114.41 -174.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HZ3' ' CD ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -37.51 -45.1 0.71 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 129.129 2.972 . . . . 1.0 115.528 170.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 -61.1 -44.43 97.36 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 128.557 2.743 . . . . 1.0 111.606 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -64.8 -54.93 23.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.222 2.209 . . . . 1.0 111.359 171.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt -57.37 -45.1 84.77 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.799 2.04 . . . . 1.0 113.556 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -64.49 -36.71 85.08 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 115.018 1.488 . . . . 1.0 115.018 174.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -66.32 -53.28 38.29 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.543 1.065 . . . . 1.0 111.683 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -53.98 -44.12 70.55 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.918 1.687 . . . . 1.0 114.209 171.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.17 -25.57 63.51 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 117.021 2.23 . . . . 1.0 117.021 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.93 -39.27 0.79 Allowed Glycine 0 CA--C 1.548 2.129 0 C-N-CA 126.006 1.765 . . . . 1.0 114.166 -168.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -63.12 125.9 87.91 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 128.732 2.813 . . . . 1.0 110.559 171.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -64.51 105.39 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 123.018 2.479 . . . . 1.0 110.714 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 m -100.69 144.33 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.384 1.474 . . . . 1.0 112.204 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' CD ' ' HZ3' ' A' ' 45' ' ' LYS . 21.9 mm-40 -114.35 -35.64 4.9 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.382 1.873 . . . . 1.0 114.283 176.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.0 p -139.17 -177.3 4.85 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.953 2.101 . . . . 1.0 112.844 -171.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.87 162.32 50.24 Favored Pre-proline 0 N--CA 1.49 1.574 0 C-N-CA 127.599 2.36 . . . . 1.0 111.583 169.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.19 164.91 85.75 Favored 'Cis proline' 0 CA--C 1.544 1.008 0 CA-C-N 120.574 1.241 . . . . 1.0 114.04 -0.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -139.81 80.38 1.77 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.022 2.129 . . . . 1.0 111.1 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.0 mt -110.41 144.52 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 126.715 2.006 . . . . 1.0 112.433 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -115.96 141.8 47.63 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.485 1.514 . . . . 1.0 108.863 170.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.4 t -125.31 129.69 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 C-N-CA 126.091 1.756 . . . . 1.0 110.033 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.35 0.2 OUTLIER 35.47 41.94 0.11 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 128.068 2.547 . . . . 1.0 114.602 -169.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 83.32 2.63 0.99 Allowed 'General case' 0 CA--C 1.557 1.248 1 C-N-CA 132.879 4.471 . . . . 1.0 115.562 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.5 140.43 29.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.891 2.077 . . . . 1.0 111.308 176.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -61.23 129.2 40.09 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.226 -0.922 . . . . 1.0 110.873 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.7 mm -126.73 170.89 16.02 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 C-N-CA 129.416 3.087 . . . . 1.0 108.607 170.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.26 -73.31 0.78 Allowed Glycine 0 CA--C 1.538 1.5 0 O-C-N 119.054 -2.278 . . . . 1.0 112.195 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.554 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 136.3 -137.42 9.08 Favored Glycine 0 C--O 1.217 -0.931 0 C-N-CA 128.094 2.759 . . . . 1.0 109.869 -170.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -30.6 -61.12 0.18 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 127.483 2.313 . . . . 1.0 114.446 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 t -44.92 -59.03 2.77 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 128.232 2.613 . . . . 1.0 115.578 170.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.554 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -70.4 -51.88 26.42 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 130.811 3.644 . . . . 1.0 111.673 -177.054 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.52 -46.39 73.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 130.716 3.606 . . . . 1.0 113.509 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.08 -53.81 53.9 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.536 1.534 . . . . 1.0 112.378 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.58 -44.22 76.71 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 125.289 1.436 . . . . 1.0 113.666 173.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -58.13 -52.71 64.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.32 2.248 . . . . 1.0 113.307 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.7 t -55.32 -50.96 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 125.167 1.387 . . . . 1.0 112.001 170.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -49.75 -57.16 7.85 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 126.669 1.988 . . . . 1.0 112.595 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -11.26 3.0 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 116.259 1.948 . . . . 1.0 116.259 172.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -93.8 -60.59 1.72 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.209 -1.557 . . . . 1.0 111.449 169.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.1 mt -82.35 -55.71 4.34 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.624 2.369 . . . . 1.0 114.298 -171.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.09 4.69 25.24 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 128.643 2.777 . . . . 1.0 115.823 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.993 0 C-N-CA 131.271 3.828 . . . . 1.0 118.444 -168.161 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 119.572 3.175 . . . . 1.0 119.572 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.6 t -137.85 -166.96 2.05 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 126.366 1.866 . . . . 1.0 114.187 -174.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 154.8 3.08 0.11 Allowed Glycine 0 N--CA 1.488 2.138 0 C-N-CA 126.719 2.104 . . . . 1.0 117.613 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . 0.26 . . 51.27 19.36 0.74 Allowed 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 118.419 2.748 . . . . 1.0 118.419 168.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 5.1 t -72.29 159.51 33.93 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 128.965 2.906 . . . . 1.0 113.906 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.4 174.27 1.02 Allowed 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 128.052 2.541 . . . . 1.0 111.679 -168.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.492 1.671 1 C-N-CA 132.7 4.4 . . . . 1.0 115.053 167.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttm . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 112.775 0.657 . . . . 1.0 112.775 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -113.48 123.32 49.75 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.378 1.871 . . . . 1.0 110.839 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.5 m -124.66 121.74 35.55 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.845 1.258 . . . . 1.0 113.845 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -112.16 126.58 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 127.313 2.245 . . . . 1.0 111.812 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mp -118.45 124.42 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 126.616 1.966 . . . . 1.0 113.062 -171.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.73 103.69 13.19 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.032 2.133 . . . . 1.0 112.966 -171.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.24 54.91 3.4 Favored Glycine 0 CA--C 1.541 1.683 0 N-CA-C 118.098 1.999 . . . . 1.0 118.098 171.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -53.06 -27.59 20.74 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 126.401 1.88 . . . . 1.0 115.3 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 t -63.82 126.13 26.62 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 128.606 2.763 . . . . 1.0 117.55 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.41 6.99 67.06 Favored Glycine 0 CA--C 1.543 1.801 0 C-N-CA 127.893 2.663 . . . . 1.0 118.979 170.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.8 p -141.45 120.71 8.15 Favored Pre-proline 0 CA--C 1.557 1.244 0 CA-C-N 120.034 1.917 . . . . 1.0 113.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -60.12 -32.09 94.17 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 123.928 3.085 . . . . 1.0 114.158 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -50.92 -50.77 56.86 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.86 2.064 . . . . 1.0 112.981 171.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -70.93 -40.12 72.25 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.372 1.869 . . . . 1.0 114.177 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.73 -54.53 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 CA-C-O 117.661 -1.162 . . . . 1.0 111.748 172.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -57.36 -43.74 83.78 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.476 1.034 . . . . 1.0 112.149 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.0 -46.71 75.21 Favored 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 114.403 1.26 . . . . 1.0 114.403 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HZ3' ' CD ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -65.37 -55.0 20.56 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.751 1.221 . . . . 1.0 113.51 170.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.6 -40.83 66.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.256 2.222 . . . . 1.0 112.587 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -55.58 -48.7 74.39 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 126.153 1.781 . . . . 1.0 113.742 170.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.41 92.89 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 125.844 1.658 . . . . 1.0 114.812 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.425 ' CD ' ' HZ3' ' A' ' 18' ' ' LYS . 45.0 tt0 -59.37 -44.08 92.78 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.066 1.346 . . . . 1.0 113.353 173.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -51.36 -53.37 36.94 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.94 2.496 . . . . 1.0 111.118 170.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.98 -45.99 85.9 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.915 1.686 . . . . 1.0 113.173 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 t -62.06 -33.55 74.61 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.303 1.223 . . . . 1.0 114.303 172.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -68.38 -53.34 24.58 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 127.208 2.203 . . . . 1.0 113.028 170.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.73 -34.61 78.26 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 130.238 3.415 . . . . 1.0 114.69 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -118.56 158.93 24.48 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 127.431 2.292 . . . . 1.0 112.668 -171.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -90.39 -32.19 16.55 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 127.644 2.377 . . . . 1.0 113.893 170.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -34.46 78.27 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 129.017 2.927 . . . . 1.0 114.679 -176.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -95.56 117.93 31.33 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.97 2.908 . . . . 1.0 116.566 -167.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.17 135.12 54.16 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.845 2.858 . . . . 1.0 114.149 172.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -117.74 138.62 51.91 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 128.027 2.531 . . . . 1.0 114.313 -172.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -128.45 132.29 48.42 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 127.541 2.336 . . . . 1.0 111.187 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -112.69 125.78 54.68 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.468 1.907 . . . . 1.0 112.482 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -121.68 112.57 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 127.668 2.387 . . . . 1.0 111.893 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.09 70.17 2.04 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 116.215 1.931 . . . . 1.0 116.215 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -55.23 -38.62 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 118.525 -2.609 . . . . 1.0 112.241 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -70.53 -3.86 20.1 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 129.309 3.044 . . . . 1.0 115.205 173.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.51 -41.91 1.99 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.084 1.353 . . . . 1.0 113.338 172.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -61.03 -20.73 62.88 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 129.221 3.008 . . . . 1.0 114.433 171.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.2 30.64 6.22 Favored Glycine 0 N--CA 1.484 1.857 0 C-N-CA 127.428 2.442 . . . . 1.0 116.551 170.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.9 mt -118.22 151.5 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 129.005 2.922 . . . . 1.0 111.453 -170.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 t -134.39 169.62 16.97 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.394 1.627 . . . . 1.0 115.394 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.55 -41.95 22.48 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 128.73 2.812 . . . . 1.0 114.044 171.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -60.54 -38.8 85.62 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.503 2.321 . . . . 1.0 112.608 176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -69.75 -55.12 10.76 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.385 1.474 . . . . 1.0 111.154 169.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 mt -53.38 -40.28 64.88 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.283 1.833 . . . . 1.0 113.879 -174.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -59.25 -48.22 82.43 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.86 1.209 . . . . 1.0 114.153 171.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -64.74 -48.22 75.37 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.942 1.697 . . . . 1.0 111.913 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -37.5 71.48 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.307 2.643 . . . . 1.0 113.81 174.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.0 50.35 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.674 2.39 . . . . 1.0 115.256 169.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.52 18.19 73.44 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.441 1.496 . . . . 1.0 114.354 -170.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -134.58 129.37 19.45 Favored Pre-proline 0 N--CA 1.488 1.474 0 C-N-CA 131.266 3.826 . . . . 1.0 110.152 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -59.58 120.8 8.84 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 122.519 2.146 . . . . 1.0 111.447 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.7 m -125.93 145.15 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 126.479 1.911 . . . . 1.0 112.842 171.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -119.07 -33.38 4.18 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.69 1.996 . . . . 1.0 114.132 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.7 p -136.9 179.42 6.39 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 128.547 2.739 . . . . 1.0 114.385 -170.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.85 160.53 63.49 Favored Pre-proline 0 N--CA 1.491 1.624 0 C-N-CA 124.895 1.278 . . . . 1.0 110.813 168.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.85 166.7 78.36 Favored 'Cis proline' 0 CA--C 1.549 1.269 0 N-CA-C 114.993 1.113 . . . . 1.0 114.993 -0.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -139.2 85.13 2.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.984 2.114 . . . . 1.0 111.559 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.4 mt -119.66 153.14 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 127.941 2.497 . . . . 1.0 113.331 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -128.35 113.73 15.97 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.988 2.115 . . . . 1.0 109.705 171.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.69 146.51 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 C-N-CA 125.533 1.533 . . . . 1.0 109.906 172.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.284 1.4 p30 52.96 6.69 0.06 Allowed 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 128.461 2.704 . . . . 1.0 117.454 -177.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 95.76 9.37 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.555 1 C-N-CA 133.147 4.579 . . . . 1.0 115.317 -171.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -112.09 148.8 33.15 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 127.645 2.378 . . . . 1.0 112.778 171.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.11 111.8 2.1 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.187 -1.57 . . . . 1.0 112.583 173.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.9 mm -123.35 104.89 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 128.328 2.651 . . . . 1.0 105.405 170.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -17.3 -64.52 0.01 OUTLIER Glycine 0 N--CA 1.477 1.378 0 C-N-CA 128.725 3.06 . . . . 1.0 116.708 -170.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.63 -137.61 9.53 Favored Glycine 0 C--O 1.218 -0.901 0 C-N-CA 127.584 2.516 . . . . 1.0 111.336 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -29.93 -54.26 0.16 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 127.347 2.259 . . . . 1.0 115.085 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 t -67.54 -40.42 85.0 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 117.55 2.426 . . . . 1.0 117.55 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -72.56 -60.68 2.11 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 127.281 2.232 . . . . 1.0 112.01 170.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -39.55 69.99 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.322 3.049 . . . . 1.0 114.931 -175.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.04 85.48 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 119.225 0.921 . . . . 1.0 113.132 170.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.34 -43.43 79.05 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.328 1.051 . . . . 1.0 112.214 170.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -58.18 -51.36 70.05 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.311 1.445 . . . . 1.0 112.45 169.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 52.5 t -50.3 -44.15 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.428 -1.42 . . . . 1.0 112.588 170.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -60.62 -43.86 97.0 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 119.862 1.21 . . . . 1.0 112.772 170.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -59.98 -12.05 7.11 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 127.594 2.358 . . . . 1.0 115.185 169.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -101.95 -60.98 1.44 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 127.229 2.212 . . . . 1.0 112.564 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.6 mt -81.77 -52.54 7.02 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.622 1.969 . . . . 1.0 114.456 -171.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -83.73 -4.69 58.83 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.851 2.06 . . . . 1.0 115.809 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 1 C-N-CA 132.5 4.32 . . . . 1.0 117.866 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 118.36 2.726 . . . . 1.0 118.36 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -126.3 174.47 8.54 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 116.04 1.867 . . . . 1.0 116.04 -173.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 141.68 -11.85 2.67 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 129.99 3.662 . . . . 1.0 116.19 171.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.96 15.42 0.25 Allowed 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 127.647 2.379 . . . . 1.0 117.276 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 25.0 t -71.26 127.91 34.14 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.687 1.995 . . . . 1.0 114.661 -169.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.89 174.16 0.93 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 130.636 3.574 . . . . 1.0 112.787 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 N--CA 1.49 1.571 0 C-N-CA 128.874 2.869 . . . . 1.0 114.599 173.136 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mmm . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 119.178 -0.439 . . . . 1.0 110.723 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -109.01 124.78 51.27 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 127.365 2.266 . . . . 1.0 114.519 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.7 m -123.22 117.21 24.79 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 124.671 1.188 . . . . 1.0 112.415 170.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 t -110.51 132.8 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 C-N-CA 126.919 2.088 . . . . 1.0 111.289 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -121.52 126.72 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 125.939 1.696 . . . . 1.0 113.277 -171.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -102.45 109.6 21.3 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.725 2.41 . . . . 1.0 112.957 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.54 60.44 2.64 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 128.111 2.767 . . . . 1.0 119.681 169.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -60.17 -45.22 93.85 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 119.815 1.808 . . . . 1.0 110.781 169.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -61.27 110.88 1.53 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.718 2.807 . . . . 1.0 112.353 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.04 -12.44 49.07 Favored Glycine 0 CA--C 1.541 1.695 0 N-CA-C 118.941 2.337 . . . . 1.0 118.941 170.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.82 126.21 17.76 Favored Pre-proline 0 CA--C 1.56 1.355 0 CA-C-N 120.838 2.319 . . . . 1.0 115.431 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.05 -32.52 27.85 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.569 3.513 . . . . 1.0 116.92 -169.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -70.36 -37.5 74.62 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 120.74 1.609 . . . . 1.0 111.45 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -61.42 -40.14 93.33 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.405 1.482 . . . . 1.0 113.249 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.4 t -55.68 -54.94 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.764 0.826 . . . . 1.0 110.777 170.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -58.82 -42.23 88.71 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.04 1.336 . . . . 1.0 111.759 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.17 -52.54 58.48 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.345 1.858 . . . . 1.0 114.693 171.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -51.73 61.74 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.072 1.349 . . . . 1.0 113.201 173.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -49.97 -43.11 50.02 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.334 2.254 . . . . 1.0 112.896 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mp -52.26 -55.67 19.73 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.616 1.967 . . . . 1.0 113.386 169.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.74 98.22 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 125.638 1.575 . . . . 1.0 113.96 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -56.32 -48.53 76.54 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.287 1.835 . . . . 1.0 113.031 171.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -55.91 -43.57 77.45 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 127.992 2.517 . . . . 1.0 113.079 169.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -46.47 89.05 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 126.407 1.883 . . . . 1.0 113.343 171.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -60.89 -32.29 71.75 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.568 1.547 . . . . 1.0 114.132 171.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -42.94 75.63 Favored 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 125.898 1.679 . . . . 1.0 112.362 168.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.49 -22.9 64.52 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 127.851 2.46 . . . . 1.0 114.965 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -138.22 170.34 16.2 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 117.791 2.515 . . . . 1.0 117.791 -170.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -116.38 18.24 15.26 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 128.292 2.637 . . . . 1.0 115.254 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -112.14 -30.01 7.38 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 128.809 2.844 . . . . 1.0 114.732 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -97.22 108.19 20.87 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 129.888 3.275 . . . . 1.0 113.865 -170.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.62 121.16 37.03 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 129.373 3.069 . . . . 1.0 108.531 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.64 138.38 47.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.605 1.162 . . . . 1.0 113.407 177.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -127.57 131.03 50.05 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.25 1.42 . . . . 1.0 111.181 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -110.9 126.04 54.29 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.23 1.412 . . . . 1.0 114.786 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.52 117.53 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 127.02 2.128 . . . . 1.0 111.376 -177.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.305 0.0 OUTLIER -74.12 158.56 33.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 119.452 -2.03 . . . . 1.0 116.057 168.317 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.281 2.1 pp -121.33 -49.48 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 125.802 1.641 . . . . 1.0 112.276 178.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -63.91 -35.22 79.96 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.549 1.54 . . . . 1.0 114.052 171.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.43 -32.48 24.07 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 115.639 1.718 . . . . 1.0 115.639 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -83.43 -34.61 25.43 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.65 1.722 . . . . 1.0 115.65 171.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.03 56.01 0.71 Allowed Glycine 0 CA--C 1.544 1.863 0 C-N-CA 126.677 2.084 . . . . 1.0 114.342 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.9 mt -134.82 155.98 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 128.975 2.91 . . . . 1.0 110.657 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -146.09 166.93 24.66 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 115.729 1.752 . . . . 1.0 115.729 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.55 -47.32 1.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 129.131 2.972 . . . . 1.0 114.054 170.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -59.88 -34.84 73.69 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 127.998 2.519 . . . . 1.0 112.55 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -73.98 -55.47 6.11 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 127.354 2.262 . . . . 1.0 111.254 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.61 -44.73 85.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.207 2.203 . . . . 1.0 113.692 -172.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -59.08 -35.42 73.36 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 120.303 1.41 . . . . 1.0 114.033 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -69.86 -47.5 62.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.192 1.397 . . . . 1.0 111.972 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -65.17 -26.56 68.21 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 127.121 2.168 . . . . 1.0 115.283 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.57 -35.6 20.95 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 127.162 2.185 . . . . 1.0 116.422 175.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.76 -31.98 2.98 Favored Glycine 0 CA--C 1.547 2.084 0 C-N-CA 126.534 2.016 . . . . 1.0 115.178 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -69.48 126.93 92.95 Favored Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 127.165 2.186 . . . . 1.0 109.383 169.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.64 85.43 0.6 Allowed 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.458 2.772 . . . . 1.0 110.783 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.7 m -78.56 149.66 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.943 1.297 . . . . 1.0 112.649 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -122.04 -38.77 2.67 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.535 1.934 . . . . 1.0 113.096 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.6 p -131.96 -176.23 3.99 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.491 2.316 . . . . 1.0 113.19 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.13 164.95 45.79 Favored Pre-proline 0 N--CA 1.493 1.72 0 C-N-CA 126.93 2.092 . . . . 1.0 112.059 169.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -69.97 168.36 68.5 Favored 'Cis proline' 0 CA--C 1.547 1.16 0 CA-C-N 120.236 1.12 . . . . 1.0 114.374 -4.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -138.71 83.81 1.98 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.257 2.223 . . . . 1.0 112.529 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.52 153.66 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 128.872 2.869 . . . . 1.0 113.67 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -132.32 132.58 43.08 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.545 2.338 . . . . 1.0 110.084 176.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.2 t -112.44 134.15 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 126.55 1.94 . . . . 1.0 109.986 172.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.324 0.1 OUTLIER 34.97 45.7 0.17 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 128.776 2.83 . . . . 1.0 113.622 -169.323 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 73.81 1.98 4.09 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 130.48 3.512 . . . . 1.0 117.487 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -94.79 139.52 31.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.709 2.404 . . . . 1.0 111.108 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -61.39 123.21 17.17 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.241 -1.537 . . . . 1.0 112.313 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.7 mm -134.65 93.42 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 130.016 3.326 . . . . 1.0 106.291 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -14.01 -57.55 0.01 OUTLIER Glycine 0 N--CA 1.482 1.736 0 C-N-CA 128.886 3.136 . . . . 1.0 118.514 -170.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.21 -143.38 14.81 Favored Glycine 0 N--CA 1.471 1.025 0 C-N-CA 128.168 2.794 . . . . 1.0 112.037 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -30.05 -60.64 0.17 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.996 2.518 . . . . 1.0 112.993 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 t -49.78 -59.79 3.5 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 127.352 2.261 . . . . 1.0 117.028 170.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.47 -48.24 50.5 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 130.611 3.564 . . . . 1.0 111.935 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -56.69 -45.09 81.99 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 131.159 3.783 . . . . 1.0 113.127 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.17 -49.55 75.62 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 117.673 -1.156 . . . . 1.0 112.794 171.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.48 81.6 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.452 1.101 . . . . 1.0 112.93 172.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -55.87 -56.01 25.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 125.226 1.41 . . . . 1.0 112.974 171.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.47 -45.33 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 125.95 1.7 . . . . 1.0 113.005 174.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -60.46 3.3 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.573 1.949 . . . . 1.0 111.461 173.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . 0.252 0.9 OUTLIER -59.5 -10.1 3.07 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 125.916 1.686 . . . . 1.0 115.387 175.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -90.57 -57.01 2.97 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 127.128 2.171 . . . . 1.0 111.444 168.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.8 mt -87.68 -57.07 3.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.194 2.597 . . . . 1.0 114.391 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.01 5.9 1.05 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 127.311 2.244 . . . . 1.0 113.491 168.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.264 1.817 0 C-N-CA 129.103 2.961 . . . . 1.0 115.241 -176.632 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 120.77 3.619 . . . . 1.0 120.77 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 6.1 t -141.23 -164.03 1.67 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 114.754 1.39 . . . . 1.0 114.754 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.58 3.85 0.19 Allowed Glycine 0 N--CA 1.479 1.541 0 C-N-CA 127.01 2.243 . . . . 1.0 117.466 170.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.81 16.64 0.34 Allowed 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 128.71 2.804 . . . . 1.0 117.899 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.45 143.65 48.39 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 129.698 3.199 . . . . 1.0 113.152 -174.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.87 171.69 1.07 Allowed 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 128.1 2.56 . . . . 1.0 112.321 -169.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.497 1.877 0 C-N-CA 128.339 2.656 . . . . 1.0 115.016 169.828 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.699 0.761 . . . . 1.0 110.147 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -112.37 121.14 44.03 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.809 2.444 . . . . 1.0 111.342 172.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 98.3 m -114.84 114.49 25.6 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.817 1.247 . . . . 1.0 109.673 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.8 t -110.08 122.42 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 126.619 1.968 . . . . 1.0 109.783 -171.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.0 mp -108.77 123.24 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.132 2.173 . . . . 1.0 112.545 -171.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -106.45 107.12 17.97 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.952 1.701 . . . . 1.0 111.875 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.17 58.52 2.31 Favored Glycine 0 N--CA 1.475 1.292 0 N-CA-C 118.279 2.071 . . . . 1.0 118.279 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -53.66 -56.1 20.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 126.543 1.937 . . . . 1.0 110.687 171.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -66.5 123.63 20.56 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.778 2.431 . . . . 1.0 113.533 174.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.18 -93.36 0.24 Allowed Glycine 0 CA--C 1.538 1.475 0 C-N-CA 128.294 2.854 . . . . 1.0 111.511 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 13.0 p -81.73 154.18 70.67 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 129.24 3.016 . . . . 1.0 116.548 174.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.42 -39.8 0.51 Allowed 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.869 3.046 . . . . 1.0 115.627 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -62.23 -38.1 87.92 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 121.352 1.887 . . . . 1.0 111.696 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.409 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.2 t -52.63 -45.08 66.5 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.785 1.234 . . . . 1.0 112.902 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.63 -52.24 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-O 118.531 -0.747 . . . . 1.0 110.908 171.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -56.88 -41.26 77.73 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.151 1.38 . . . . 1.0 111.297 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.15 91.54 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.481 2.713 . . . . 1.0 113.517 172.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -56.55 20.02 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.671 1.588 . . . . 1.0 111.648 172.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.81 -42.57 36.51 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 128.467 2.707 . . . . 1.0 112.516 172.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.43 -46.38 90.23 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 125.99 1.716 . . . . 1.0 112.549 171.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.87 98.18 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 119.476 1.034 . . . . 1.0 112.527 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.46 -43.65 93.15 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.237 1.015 . . . . 1.0 112.594 171.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -53.61 -50.13 66.33 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.435 1.894 . . . . 1.0 110.939 172.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -44.34 89.46 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.676 1.59 . . . . 1.0 114.65 172.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -63.36 -38.08 89.78 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.906 1.282 . . . . 1.0 113.994 172.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -65.7 -45.75 81.58 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 125.998 1.719 . . . . 1.0 110.707 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -66.19 -35.93 81.75 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 129.232 3.013 . . . . 1.0 115.194 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -130.01 151.24 50.78 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 126.318 1.847 . . . . 1.0 115.131 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -78.38 -30.89 48.15 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 129.358 3.063 . . . . 1.0 114.332 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -65.23 -30.38 71.27 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 130.292 3.437 . . . . 1.0 115.451 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -97.55 117.3 31.51 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 123.718 1.723 . . . . 1.0 115.141 -170.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -109.66 132.13 54.43 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 129.027 2.931 . . . . 1.0 110.966 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.28 135.94 54.82 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.991 1.716 . . . . 1.0 113.945 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.92 133.94 47.16 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.957 1.703 . . . . 1.0 111.227 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -116.87 123.75 47.81 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.813 1.412 . . . . 1.0 114.813 -176.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 t -120.52 113.9 41.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 128.253 2.621 . . . . 1.0 112.165 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.284 0.0 OUTLIER -77.1 82.76 3.61 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.212 -1.555 . . . . 1.0 114.938 176.274 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -61.98 -38.72 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 118.601 -2.562 . . . . 1.0 111.874 176.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -6.0 24.89 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.279 3.032 . . . . 1.0 113.545 175.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -128.41 -46.27 1.33 Allowed 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 114.849 1.425 . . . . 1.0 114.849 173.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.51 -10.64 18.8 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 128.547 2.739 . . . . 1.0 115.365 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.01 51.65 2.05 Favored Glycine 0 N--CA 1.483 1.803 0 C-N-CA 126.194 1.854 . . . . 1.0 115.916 171.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.0 mt -142.38 156.3 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.374 1.869 . . . . 1.0 109.998 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -151.11 168.05 25.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.249 1.819 . . . . 1.0 113.658 -171.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -53.49 -25.76 17.77 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.829 1.418 . . . . 1.0 114.829 172.135 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -68.28 -30.65 69.71 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 126.248 1.819 . . . . 1.0 112.508 171.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.88 -52.74 5.79 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.068 2.547 . . . . 1.0 111.039 171.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -54.31 -35.67 62.9 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.981 1.712 . . . . 1.0 113.272 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -60.59 -40.43 91.72 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 120.194 1.361 . . . . 1.0 112.836 171.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -70.01 -39.65 75.71 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.593 2.357 . . . . 1.0 112.273 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -66.77 -37.14 84.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.258 1.423 . . . . 1.0 113.987 171.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.58 -17.24 52.02 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.891 2.476 . . . . 1.0 116.44 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.2 17.04 51.27 Favored Glycine 0 CA--C 1.549 2.214 0 CA-C-N 119.8 1.182 . . . . 1.0 113.54 -171.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -126.01 131.7 24.07 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 130.402 3.481 . . . . 1.0 111.592 -171.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.38 79.08 1.17 Allowed 'Trans proline' 0 CA--C 1.549 1.226 0 C-N-CA 123.927 3.085 . . . . 1.0 113.06 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.452 HG12 HE22 ' A' ' 61' ' ' GLN . 3.7 m -83.83 157.34 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 124.63 1.172 . . . . 1.0 112.438 172.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -140.2 -11.01 1.1 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.203 1.801 . . . . 1.0 114.32 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.7 p -147.83 175.95 10.53 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 129.32 3.048 . . . . 1.0 113.228 -171.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.81 167.96 18.57 Favored Pre-proline 0 N--CA 1.484 1.269 0 C-N-CA 127.467 2.307 . . . . 1.0 111.875 171.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.81 166.13 56.33 Favored 'Cis proline' 0 CA--C 1.549 1.253 0 CA-C-N 119.19 0.746 . . . . 1.0 113.111 -8.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.452 HE22 HG12 ' A' ' 56' ' ' VAL . 90.3 mm-40 -135.01 76.26 1.62 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.266 2.226 . . . . 1.0 110.33 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 27.4 mt -108.4 150.77 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 127.988 2.515 . . . . 1.0 113.924 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -130.23 105.12 7.7 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 128.358 2.663 . . . . 1.0 109.603 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.2 t -90.72 134.49 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.763 1.625 . . . . 1.0 108.919 176.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.259 4.2 m-20 37.11 46.66 0.56 Allowed 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 129.907 3.283 . . . . 1.0 112.353 -171.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.326 1.8 tt0 46.68 51.5 12.15 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 131.011 3.724 . . . . 1.0 115.696 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.77 136.56 27.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 130.914 3.686 . . . . 1.0 108.568 171.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 -60.63 115.21 3.45 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.345 -1.472 . . . . 1.0 114.521 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.7 mm -128.73 97.78 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 128.687 2.795 . . . . 1.0 104.928 171.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -13.41 -61.62 0.01 OUTLIER Glycine 0 N--CA 1.473 1.109 0 C-N-CA 129.046 3.213 . . . . 1.0 116.2 -173.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.18 -149.87 19.51 Favored Glycine 0 C--O 1.224 -0.529 0 C-N-CA 126.813 2.149 . . . . 1.0 108.702 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -35.36 -53.05 0.64 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 125.915 1.686 . . . . 1.0 111.94 -171.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.0 t -48.64 -57.64 5.94 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 116.01 1.856 . . . . 1.0 116.01 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -53.6 42.97 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.098 2.559 . . . . 1.0 111.975 172.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.64 -43.61 47.0 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.985 2.914 . . . . 1.0 114.59 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.33 79.37 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.881 2.072 . . . . 1.0 112.802 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.94 97.78 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.819 1.248 . . . . 1.0 112.881 172.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -60.71 -54.32 46.69 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.526 2.33 . . . . 1.0 113.418 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.7 t -52.65 -49.39 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 125.763 1.625 . . . . 1.0 111.416 172.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -50.32 68.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.02 1.728 . . . . 1.0 113.223 172.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.71 -14.43 20.97 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.872 2.069 . . . . 1.0 115.625 171.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -99.74 -59.87 1.64 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 127.203 2.201 . . . . 1.0 113.756 172.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.48 -64.04 1.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.505 2.322 . . . . 1.0 112.979 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.33 6.14 1.46 Allowed 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 127.017 2.127 . . . . 1.0 114.747 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 129.44 3.096 . . . . 1.0 115.369 -178.624 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 117.045 2.239 . . . . 1.0 117.045 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.5 t -48.59 164.41 0.06 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 119.544 3.164 . . . . 1.0 119.544 -170.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -179.46 -7.54 0.02 OUTLIER Glycine 0 CA--C 1.541 1.676 0 C-N-CA 128.572 2.987 . . . . 1.0 116.468 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.23 21.68 2.34 Favored 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 127.11 2.164 . . . . 1.0 115.787 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 13.1 t -74.27 139.16 44.09 Favored 'General case' 0 CA--C 1.551 0.987 1 C-N-CA 132.995 4.518 . . . . 1.0 114.442 -171.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.68 169.83 0.49 Allowed 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 129.522 3.129 . . . . 1.0 114.588 -171.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.498 1.968 0 C-N-CA 129.785 3.234 . . . . 1.0 114.95 172.069 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.43 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 2.6 ttm . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 119.547 -0.263 . . . . 1.0 111.344 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -118.55 121.27 39.83 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.246 1.018 . . . . 1.0 110.987 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 97.6 m -120.64 118.65 30.68 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 125.107 1.363 . . . . 1.0 112.69 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 t -111.05 126.83 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.202 1.801 . . . . 1.0 112.394 -172.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.0 mp -116.93 120.45 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 126.751 2.02 . . . . 1.0 112.105 -172.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -96.1 103.16 15.04 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.966 1.706 . . . . 1.0 112.405 -175.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.83 97.17 0.04 OUTLIER Glycine 0 N--CA 1.48 1.63 0 C-N-CA 129.631 3.491 . . . . 1.0 117.946 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -70.37 -51.94 26.15 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 120.011 1.905 . . . . 1.0 112.558 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -63.96 133.8 53.87 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 128.016 2.526 . . . . 1.0 115.844 -172.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.47 -9.38 41.56 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 128.431 2.92 . . . . 1.0 116.664 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 11.2 p -155.03 120.77 2.63 Favored Pre-proline 0 CA--C 1.558 1.254 0 C-N-CA 126.714 2.006 . . . . 1.0 116.013 -172.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -67.89 -27.35 37.15 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 124.584 3.523 . . . . 1.0 113.106 -172.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -64.91 -38.44 90.98 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.639 1.109 . . . . 1.0 111.726 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.478 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.4 t -65.69 -47.99 73.57 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.07 1.348 . . . . 1.0 112.016 171.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -53.84 -52.29 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-O 117.75 -1.119 . . . . 1.0 111.344 172.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -62.83 -41.64 99.41 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.783 1.233 . . . . 1.0 111.588 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.67 87.03 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.621 1.169 . . . . 1.0 113.145 172.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -61.57 -54.28 45.2 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.348 1.459 . . . . 1.0 112.527 171.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -52.57 -42.64 64.65 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.584 2.754 . . . . 1.0 112.971 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.8 -45.93 91.74 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 126.428 1.891 . . . . 1.0 112.538 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.68 96.9 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.601 1.16 . . . . 1.0 112.448 171.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -56.15 -48.41 76.33 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.534 1.534 . . . . 1.0 111.761 171.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -53.4 -46.71 69.81 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.138 2.575 . . . . 1.0 113.343 172.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.64 -44.35 86.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.564 1.546 . . . . 1.0 113.595 172.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -60.86 -33.92 73.81 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.735 1.152 . . . . 1.0 113.581 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.52 -44.83 81.4 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 127.754 2.422 . . . . 1.0 110.788 170.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -78.5 -31.27 47.61 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 127.172 2.189 . . . . 1.0 114.044 -175.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -122.71 162.16 22.52 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 116.962 2.208 . . . . 1.0 116.962 -171.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -83.02 -38.42 22.63 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 131.199 3.8 . . . . 1.0 114.457 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.19 -22.09 36.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.005 2.122 . . . . 1.0 115.471 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -97.74 110.89 23.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.791 1.636 . . . . 1.0 113.08 -171.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -114.1 130.94 56.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.91 2.484 . . . . 1.0 110.901 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.29 0.0 OUTLIER -111.72 136.66 50.67 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.115 2.566 . . . . 1.0 115.535 -171.585 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -128.97 133.54 47.85 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.661 1.584 . . . . 1.0 110.263 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -113.04 123.48 50.39 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.394 1.477 . . . . 1.0 111.699 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -122.13 113.51 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 126.902 2.081 . . . . 1.0 111.161 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.01 101.29 3.2 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.808 1.41 . . . . 1.0 114.808 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -74.52 -34.67 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 119.643 -1.911 . . . . 1.0 112.281 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -78.72 5.12 11.92 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 127.983 2.513 . . . . 1.0 113.019 172.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.26 -32.39 0.86 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 116.238 1.94 . . . . 1.0 116.238 171.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -74.39 -18.32 60.68 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 126.448 1.899 . . . . 1.0 112.285 171.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.17 54.61 1.25 Allowed Glycine 0 N--CA 1.475 1.296 0 C-N-CA 127.632 2.539 . . . . 1.0 114.972 172.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.1 mt -128.85 164.27 31.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 C-N-CA 127.468 2.307 . . . . 1.0 111.681 -172.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 t -149.19 161.41 42.05 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.198 2.599 . . . . 1.0 112.939 -172.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -26.47 23.0 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.482 1.513 . . . . 1.0 113.612 171.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.57 -31.92 72.32 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.419 2.288 . . . . 1.0 112.728 174.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.56 -56.03 4.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.437 2.295 . . . . 1.0 110.553 171.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.4 mt -54.53 -48.44 71.95 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.295 2.238 . . . . 1.0 112.802 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -54.57 -40.28 68.6 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.116 1.367 . . . . 1.0 114.192 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -72.17 -58.41 3.44 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.505 1.922 . . . . 1.0 111.896 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -51.02 -40.0 57.18 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.395 1.078 . . . . 1.0 113.798 172.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.57 60.6 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 118.067 2.618 . . . . 1.0 118.067 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.02 38.68 24.97 Favored Glycine 0 CA--C 1.544 1.889 0 CA-C-N 120.406 1.457 . . . . 1.0 112.486 -171.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 126.63 11.3 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 128.942 2.897 . . . . 1.0 110.862 -171.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.8 55.93 5.08 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 124.48 3.454 . . . . 1.0 114.839 -172.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.9 m -69.24 150.14 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.192 0.997 . . . . 1.0 112.533 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -122.76 -32.53 3.53 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.48 1.112 . . . . 1.0 112.263 171.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.9 p -133.24 -179.08 5.28 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.355 1.862 . . . . 1.0 113.742 -174.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG22 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -89.82 158.51 44.79 Favored Pre-proline 0 N--CA 1.49 1.55 0 C-N-CA 127.15 2.18 . . . . 1.0 112.585 178.212 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.05 168.99 70.68 Favored 'Cis proline' 0 CA--C 1.542 0.888 0 N-CA-C 114.279 0.838 . . . . 1.0 114.279 4.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -139.35 74.97 1.49 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.74 2.016 . . . . 1.0 111.17 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.9 mt -99.31 150.81 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 127.911 2.484 . . . . 1.0 114.969 175.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -133.11 109.07 9.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.369 1.868 . . . . 1.0 109.812 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.16 122.31 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 125.101 1.361 . . . . 1.0 109.085 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.637 0.0 OUTLIER 52.8 17.69 0.9 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 130.257 3.423 . . . . 1.0 117.013 -170.963 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 94.56 5.93 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 1 C-N-CA 132.24 4.216 . . . . 1.0 114.894 -174.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -94.14 134.01 37.03 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 126.771 2.028 . . . . 1.0 109.98 172.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -60.74 107.82 0.75 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.841 0.856 . . . . 1.0 111.676 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.5 mm -126.04 83.79 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 128.945 2.898 . . . . 1.0 106.465 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -8.25 -56.57 0.01 OUTLIER Glycine 0 CA--C 1.542 1.736 0 C-N-CA 129.543 3.449 . . . . 1.0 118.601 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.95 -139.08 12.11 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 127.665 2.555 . . . . 1.0 111.157 -172.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -33.63 -35.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 121.324 2.562 . . . . 1.0 115.153 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -62.28 1.48 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 119.894 -1.754 . . . . 1.0 113.527 170.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -62.6 1.33 Allowed 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 131.786 4.034 . . . . 1.0 114.839 177.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -43.72 -43.49 6.0 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 130.202 3.401 . . . . 1.0 112.929 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.32 70.34 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.293 1.037 . . . . 1.0 112.2 171.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.91 83.99 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.491 1.116 . . . . 1.0 112.875 172.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -58.92 -53.94 52.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.542 1.937 . . . . 1.0 113.651 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.98 -52.03 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 127.173 2.189 . . . . 1.0 110.995 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -52.82 -52.35 57.34 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 128.208 2.603 . . . . 1.0 113.132 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -56.27 -16.58 5.68 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.65 1.722 . . . . 1.0 115.65 173.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -100.11 -59.33 1.73 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 128.446 2.698 . . . . 1.0 113.381 171.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.01 -36.14 49.11 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.166 2.187 . . . . 1.0 116.081 -174.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -94.97 -0.11 54.17 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 127.023 2.129 . . . . 1.0 115.25 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.351 0 C-N-CA 130.428 3.491 . . . . 1.0 115.892 -171.686 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.553 0.216 . . . . 1.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -161.75 150.96 15.98 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.879 2.072 . . . . 1.0 112.654 171.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 153.77 -13.87 0.58 Allowed Glycine 0 N--CA 1.479 1.546 0 N-CA-C 118.376 2.11 . . . . 1.0 118.376 171.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.43 31.21 14.2 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.343 1.857 . . . . 1.0 115.362 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.25 140.22 46.71 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-O 123.227 1.489 . . . . 1.0 112.497 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt 176.74 176.91 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 1 C-N-CA 136.203 5.801 . . . . 1.0 107.588 -171.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.502 2.137 0 CA-C-N 120.826 1.648 . . . . 1.0 112.955 171.326 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.607 0.718 . . . . 1.0 109.581 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -112.9 121.95 46.18 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 128.015 2.526 . . . . 1.0 110.829 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m -120.52 118.4 30.14 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.913 1.285 . . . . 1.0 112.899 -172.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 t -115.22 121.78 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 126.495 1.918 . . . . 1.0 110.628 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 mp -107.6 122.18 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.728 2.011 . . . . 1.0 111.499 -171.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -103.02 101.36 11.34 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.022 1.729 . . . . 1.0 114.143 -172.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.54 76.41 0.73 Allowed Glycine 0 N--CA 1.48 1.567 0 C-N-CA 128.662 3.029 . . . . 1.0 117.78 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -67.93 -38.78 83.28 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 127.513 2.325 . . . . 1.0 114.454 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -62.93 -23.29 67.31 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 118.27 2.693 . . . . 1.0 118.27 -171.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.99 -9.37 60.88 Favored Glycine 0 CA--C 1.538 1.531 0 N-CA-C 118.967 2.347 . . . . 1.0 118.967 -171.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.0 p -169.48 146.7 2.95 Favored Pre-proline 0 CA--C 1.558 1.259 0 CA-C-N 120.131 1.965 . . . . 1.0 115.882 -171.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.67 -36.67 40.52 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 123.849 3.033 . . . . 1.0 114.903 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -62.03 -38.79 90.04 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.066 1.303 . . . . 1.0 112.293 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.459 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.5 t -63.97 -45.17 90.3 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.823 1.249 . . . . 1.0 111.892 171.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.61 -52.65 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 117.226 -1.369 . . . . 1.0 111.47 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -64.07 -41.07 97.48 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.837 1.655 . . . . 1.0 111.537 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.45 96.17 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.231 1.413 . . . . 1.0 112.363 171.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -57.79 11.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.504 1.121 . . . . 1.0 109.917 171.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.52 -37.89 3.81 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.499 2.32 . . . . 1.0 113.856 172.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -64.98 -44.91 87.77 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.738 2.415 . . . . 1.0 112.765 171.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.51 98.75 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.39 1.076 . . . . 1.0 111.253 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -60.89 -46.54 90.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.495 -1.378 . . . . 1.0 111.783 171.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -53.95 -43.95 70.3 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 130.534 3.534 . . . . 1.0 112.271 171.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.63 -49.66 65.53 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 127.743 2.417 . . . . 1.0 113.286 172.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 t -58.66 -34.73 71.56 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 125.013 1.325 . . . . 1.0 113.734 172.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.93 -42.89 97.23 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 127.586 2.354 . . . . 1.0 111.734 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -81.34 -26.17 35.8 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 128.073 2.549 . . . . 1.0 115.804 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.0 mtm105 -137.42 149.8 47.18 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 126.563 1.945 . . . . 1.0 115.184 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.33 -31.98 48.96 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.527 1.531 . . . . 1.0 114.504 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -62.21 -22.8 66.22 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 131.18 3.792 . . . . 1.0 116.985 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -97.12 116.87 30.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.312 1.045 . . . . 1.0 112.822 -170.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -121.34 119.27 31.68 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.713 2.405 . . . . 1.0 110.908 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.31 0.1 OUTLIER -109.21 137.1 47.62 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 129.55 3.14 . . . . 1.0 117.659 -171.386 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -129.78 133.56 47.06 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.046 2.138 . . . . 1.0 111.353 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -108.01 124.07 49.62 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.015 1.326 . . . . 1.0 113.301 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.49 118.66 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 128.078 2.551 . . . . 1.0 110.37 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 0.0 OUTLIER -74.55 155.02 38.36 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 119.417 -2.052 . . . . 1.0 114.043 172.301 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -129.43 -51.68 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.407 1.483 . . . . 1.0 110.834 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -36.25 83.2 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.334 1.454 . . . . 1.0 112.349 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.82 -32.11 31.41 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 125.817 1.647 . . . . 1.0 113.957 172.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.78 -9.45 58.79 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 127.682 2.393 . . . . 1.0 116.481 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.79 19.63 39.75 Favored Glycine 0 CA--C 1.548 2.1 0 C-N-CA 125.824 1.678 . . . . 1.0 116.854 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.9 mt -118.71 156.74 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 128.92 2.888 . . . . 1.0 110.462 -173.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -142.74 167.98 20.79 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.935 1.828 . . . . 1.0 115.935 -171.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.57 -36.85 25.12 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.278 1.831 . . . . 1.0 113.305 172.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -63.8 -27.19 69.01 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.94 1.696 . . . . 1.0 113.301 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.34 -38.57 17.32 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.255 2.222 . . . . 1.0 113.253 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -67.34 -52.02 45.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.35 2.26 . . . . 1.0 113.043 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -44.43 -38.88 4.33 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 126.912 2.085 . . . . 1.0 114.859 175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -65.16 -65.31 0.69 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.704 2.402 . . . . 1.0 111.555 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -60.8 -21.65 63.34 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.614 1.965 . . . . 1.0 114.842 172.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.93 -17.23 51.22 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.627 2.371 . . . . 1.0 114.508 171.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.25 -38.06 0.68 Allowed Glycine 0 CA--C 1.542 1.739 0 C-N-CA 127.44 2.447 . . . . 1.0 114.275 -171.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -75.24 122.47 87.4 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 128.725 2.81 . . . . 1.0 111.046 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.75 77.39 0.38 Allowed 'Trans proline' 0 CA--C 1.55 1.321 0 C-N-CA 124.323 3.349 . . . . 1.0 111.474 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 m -68.36 154.38 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 126.183 1.793 . . . . 1.0 112.412 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -130.47 -18.28 3.21 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 126.815 2.046 . . . . 1.0 114.197 175.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.5 p -141.83 -178.64 5.77 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 130.479 3.511 . . . . 1.0 113.248 -173.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.12 167.0 14.39 Favored Pre-proline 0 N--CA 1.496 1.873 0 C-N-CA 126.324 1.85 . . . . 1.0 114.501 172.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.81 165.65 73.18 Favored 'Cis proline' 0 C--N 1.36 1.148 0 N-CA-C 114.73 1.012 . . . . 1.0 114.73 -5.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -136.7 80.55 1.82 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.235 2.614 . . . . 1.0 111.15 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 mt -111.05 151.69 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 128.561 2.745 . . . . 1.0 113.805 172.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -124.73 112.94 17.33 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.655 2.382 . . . . 1.0 109.324 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.0 t -107.86 127.81 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 125.908 1.683 . . . . 1.0 109.13 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 55.09 66.05 1.34 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 131.183 3.793 . . . . 1.0 110.01 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 57.22 3.32 0.15 Allowed 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 128.596 2.759 . . . . 1.0 116.771 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.88 159.82 40.97 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.795 2.038 . . . . 1.0 113.793 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.23 125.69 24.66 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.984 1.846 . . . . 1.0 115.984 -172.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.5 mm -140.53 97.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 129.756 3.223 . . . . 1.0 103.781 171.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -14.71 -59.01 0.01 OUTLIER Glycine 0 N--CA 1.476 1.348 0 C-N-CA 129.141 3.258 . . . . 1.0 117.659 -171.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.48 -147.87 19.17 Favored Glycine 0 C--O 1.221 -0.659 0 C-N-CA 126.421 1.962 . . . . 1.0 109.94 -172.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -34.16 -50.13 0.39 Allowed 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 127.781 2.432 . . . . 1.0 111.994 -173.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -60.18 3.66 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 128.786 2.835 . . . . 1.0 115.322 170.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -51.43 43.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.088 2.155 . . . . 1.0 111.402 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -54.79 19.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.286 2.234 . . . . 1.0 114.194 172.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.19 -49.48 71.8 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.135 0.974 . . . . 1.0 112.249 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.72 95.73 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.375 1.07 . . . . 1.0 113.426 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -60.78 -53.11 61.42 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.191 2.196 . . . . 1.0 112.763 176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.9 t -56.58 -51.09 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 126.419 1.888 . . . . 1.0 111.137 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -55.07 -54.99 36.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.731 2.012 . . . . 1.0 112.942 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -13.05 1.58 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.67 2.388 . . . . 1.0 115.208 173.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -98.68 -59.9 1.65 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.166 2.186 . . . . 1.0 111.931 171.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.6 mt -78.37 -62.78 1.57 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.98 2.112 . . . . 1.0 113.427 -172.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.55 0.71 7.88 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 128.957 2.903 . . . . 1.0 114.805 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 C-N-CA 130.093 3.357 . . . . 1.0 113.662 -172.865 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.821 0.82 . . . . 1.0 110.832 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -136.2 151.0 49.25 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.518 1.927 . . . . 1.0 112.972 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 161.43 -4.15 0.08 OUTLIER Glycine 0 CA--C 1.538 1.478 0 C-N-CA 126.312 1.911 . . . . 1.0 117.23 171.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.02 18.25 1.63 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 128.34 2.656 . . . . 1.0 116.223 172.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.39 112.92 17.1 Favored 'General case' 0 CA--C 1.544 0.733 1 C-N-CA 132.316 4.246 . . . . 1.0 113.686 -171.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt 177.27 166.59 0.59 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 129.443 3.097 . . . . 1.0 112.332 -171.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.495 1.8 0 C-N-CA 128.356 2.662 . . . . 1.0 116.814 -175.3 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ttm . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.72 -0.181 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.36 124.11 51.75 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.029 1.332 . . . . 1.0 112.027 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.9 m -121.03 122.87 41.04 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 126.846 2.059 . . . . 1.0 111.953 -176.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.1 t -114.71 131.99 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 C-N-CA 126.8 2.04 . . . . 1.0 111.137 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mt -119.95 132.96 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.718 2.007 . . . . 1.0 111.577 -169.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -112.42 116.19 29.91 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.366 1.466 . . . . 1.0 113.855 -176.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.8 72.61 0.81 Allowed Glycine 0 N--CA 1.482 1.717 0 N-CA-C 120.457 2.943 . . . . 1.0 120.457 169.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -63.03 -38.47 91.32 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 126.298 1.839 . . . . 1.0 115.069 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -70.78 117.45 12.31 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.408 2.683 . . . . 1.0 115.057 -171.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.83 -7.11 17.51 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 119.267 2.467 . . . . 1.0 119.267 170.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -157.41 146.49 14.86 Favored Pre-proline 0 CA--C 1.556 1.206 0 CA-C-N 120.541 2.17 . . . . 1.0 115.426 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.72 -41.59 7.99 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 123.631 2.887 . . . . 1.0 114.544 -171.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.5 -37.94 85.5 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.119 0.968 . . . . 1.0 113.448 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -66.67 -38.72 87.4 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.591 1.156 . . . . 1.0 113.935 172.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.6 -54.09 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-O 118.137 -0.935 . . . . 1.0 110.83 170.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -55.47 -44.25 76.26 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.462 1.105 . . . . 1.0 111.495 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.0 69.7 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.225 1.41 . . . . 1.0 114.585 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -52.2 65.73 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.416 1.486 . . . . 1.0 113.058 174.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.82 -36.16 71.86 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.851 1.66 . . . . 1.0 114.463 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mp -62.15 -43.19 99.37 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.109 1.763 . . . . 1.0 113.747 169.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.03 99.22 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.428 1.091 . . . . 1.0 112.668 170.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -60.34 -44.38 95.58 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.158 1.383 . . . . 1.0 113.268 170.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -53.49 -55.61 23.93 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 128.337 2.655 . . . . 1.0 111.343 169.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.5 mt -53.36 -48.15 68.8 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 126.593 1.957 . . . . 1.0 113.482 171.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 t -62.9 -41.04 99.29 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.677 1.591 . . . . 1.0 114.674 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -40.81 95.69 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.684 1.594 . . . . 1.0 112.257 170.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -71.64 -29.26 64.44 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.596 2.359 . . . . 1.0 115.091 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -130.72 160.46 34.26 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 120.872 1.669 . . . . 1.0 115.079 -170.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -76.15 -40.7 52.02 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.505 2.322 . . . . 1.0 114.636 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -85.67 -15.02 43.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.182 2.193 . . . . 1.0 116.649 -170.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -96.32 97.05 9.17 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.429 1.892 . . . . 1.0 114.609 -168.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.61 129.11 44.07 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.794 1.637 . . . . 1.0 109.089 175.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.272 0.0 OUTLIER -110.03 139.14 45.46 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 115.18 1.548 . . . . 1.0 115.18 -177.061 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -126.45 140.47 52.45 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 128.394 2.678 . . . . 1.0 109.94 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -128.5 125.64 38.82 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.954 2.102 . . . . 1.0 112.791 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -120.92 114.61 44.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 129.177 2.991 . . . . 1.0 111.67 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.289 0.0 OUTLIER -69.93 86.66 0.53 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.839 2.456 . . . . 1.0 117.478 174.516 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.27 -35.71 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 119.82 -1.8 . . . . 1.0 112.784 174.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -77.56 5.93 8.12 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 127.349 2.26 . . . . 1.0 115.126 172.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.14 -47.36 1.62 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.594 1.558 . . . . 1.0 112.113 169.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.91 -15.79 34.87 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 127.916 2.486 . . . . 1.0 115.124 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.03 53.03 2.93 Favored Glycine 0 N--CA 1.484 1.835 0 C-N-CA 127.344 2.402 . . . . 1.0 115.478 170.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.1 mt -138.85 162.14 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 127.683 2.393 . . . . 1.0 113.472 -169.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -154.21 169.07 24.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 128.152 2.581 . . . . 1.0 114.137 -173.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -30.31 21.15 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 127.5 2.32 . . . . 1.0 115.781 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -68.05 -39.34 83.05 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 127.29 2.236 . . . . 1.0 111.176 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.49 -50.52 21.08 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.903 2.481 . . . . 1.0 112.131 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 mt -57.37 -47.07 82.62 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.031 1.732 . . . . 1.0 113.057 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -56.07 -27.97 55.66 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.086 1.513 . . . . 1.0 115.086 171.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -80.91 -58.62 3.0 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.995 1.718 . . . . 1.0 111.757 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -57.52 -34.51 69.19 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.286 1.434 . . . . 1.0 114.435 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.5 76.18 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 117.15 2.278 . . . . 1.0 117.15 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.0 16.63 66.69 Favored Glycine 0 CA--C 1.552 2.364 0 C-N-CA 124.584 1.087 . . . . 1.0 114.761 -169.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -126.8 126.81 24.5 Favored Pre-proline 0 N--CA 1.482 1.144 0 C-N-CA 130.84 3.656 . . . . 1.0 108.725 175.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.64 131.12 23.6 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 123.031 2.487 . . . . 1.0 111.223 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.3 m -128.77 166.43 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.251 1.82 . . . . 1.0 112.255 175.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -122.11 -48.81 2.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.681 1.192 . . . . 1.0 113.361 171.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 -175.27 3.87 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.6 2.76 . . . . 1.0 111.772 -171.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.77 158.89 70.12 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 119.984 -1.697 . . . . 1.0 111.201 171.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.77 170.56 70.11 Favored 'Cis proline' 0 CA--C 1.546 1.109 0 N-CA-C 114.984 1.109 . . . . 1.0 114.984 6.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -145.91 85.46 1.69 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.108 2.163 . . . . 1.0 110.358 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.2 mt -115.75 133.47 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 126.436 1.894 . . . . 1.0 113.392 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -110.05 97.41 6.91 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.833 2.053 . . . . 1.0 110.651 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 t -81.87 143.7 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 C-N-CA 124.807 1.243 . . . . 1.0 108.989 170.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 49.73 17.09 0.24 Allowed 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 116.583 2.068 . . . . 1.0 116.583 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.263 0.0 OUTLIER 72.76 12.14 5.34 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 130.535 3.534 . . . . 1.0 114.992 -169.48 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -91.77 141.29 28.83 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.516 3.126 . . . . 1.0 110.574 170.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -70.66 106.39 3.5 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.818 -1.176 . . . . 1.0 113.808 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.5 mm -99.12 168.79 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 C-N-CA 127.626 2.37 . . . . 1.0 107.599 168.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.17 -69.49 1.36 Allowed Glycine 0 CA--C 1.542 1.734 0 O-C-N 118.789 -2.444 . . . . 1.0 113.157 170.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.503 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 128.45 -137.78 9.91 Favored Glycine 0 N--CA 1.473 1.152 0 C-N-CA 128.388 2.899 . . . . 1.0 109.919 -169.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -30.7 -52.73 0.17 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 127.192 2.197 . . . . 1.0 116.138 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -64.02 0.95 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 126.754 2.022 . . . . 1.0 114.018 170.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.503 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.8 OUTLIER -65.05 -56.9 10.39 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 130.018 3.327 . . . . 1.0 111.035 -178.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -35.49 24.42 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 128.037 2.535 . . . . 1.0 114.976 177.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.87 -52.46 56.45 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.267 1.027 . . . . 1.0 112.631 170.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.24 97.45 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.216 1.406 . . . . 1.0 113.433 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -52.98 -50.38 64.25 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.221 2.608 . . . . 1.0 113.793 171.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 63.8 t -60.01 -51.27 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.62 1.168 . . . . 1.0 112.137 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -53.71 -51.65 62.59 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 126.969 2.108 . . . . 1.0 113.452 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -56.37 -13.09 1.96 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 129.176 2.991 . . . . 1.0 114.86 170.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -103.06 -45.07 5.04 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.659 2.384 . . . . 1.0 116.622 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.11 -30.85 13.84 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.538 2.051 . . . . 1.0 116.538 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -107.92 2.46 23.38 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 128.004 2.522 . . . . 1.0 115.58 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.29 0 C-N-CA 130.346 3.458 . . . . 1.0 115.713 178.486 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.751 0.31 . . . . 1.0 111.278 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.54 159.58 43.59 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.204 1.402 . . . . 1.0 114.267 170.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 152.92 -14.39 0.67 Allowed Glycine 0 N--CA 1.476 1.361 0 N-CA-C 118.781 2.272 . . . . 1.0 118.781 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 51.27 26.46 3.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 116.431 2.011 . . . . 1.0 116.431 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.53 110.28 5.32 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 126.565 1.946 . . . . 1.0 109.156 175.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -179.48 143.43 0.19 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 129.47 3.108 . . . . 1.0 112.05 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.386 9.1 tp . . . . . 0 N--CA 1.479 1.009 1 C-N-CA 132.157 4.183 . . . . 1.0 117.882 171.648 . . . . . . . . 2 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -118.77 116.09 25.82 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.921 1.288 . . . . 1.0 111.156 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -117.38 116.2 26.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.489 1.516 . . . . 1.0 112.657 -169.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.97 131.8 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 126.327 1.851 . . . . 1.0 110.996 -173.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.44 118.82 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.145 2.178 . . . . 1.0 112.179 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -98.97 94.72 6.7 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.327 1.851 . . . . 1.0 113.308 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.31 77.89 0.99 Allowed Glycine 0 CA--C 1.545 1.946 0 C-N-CA 127.626 2.536 . . . . 1.0 118.804 169.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -68.2 -48.74 64.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 127.365 2.266 . . . . 1.0 114.266 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -61.25 143.31 55.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.781 1.633 . . . . 1.0 112.326 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.62 -7.07 9.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 128.067 2.746 . . . . 1.0 119.58 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -134.95 113.31 11.56 Favored Pre-proline 0 CA--C 1.562 1.406 0 CA-C-N 121.27 2.535 . . . . 1.0 115.484 172.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -62.57 -33.44 78.14 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 125.269 3.979 . . . . 1.0 115.725 -170.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.02 -36.73 77.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.851 0.86 . . . . 1.0 111.851 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -65.19 -38.59 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.027 2.131 . . . . 1.0 113.689 170.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.82 -54.15 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.856 1.262 . . . . 1.0 112.009 172.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -55.13 -43.92 74.57 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.221 0.918 . . . . 1.0 110.925 174.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.35 77.94 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 114.528 1.307 . . . . 1.0 114.528 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.498 ' HZ3' ' CD ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -57.79 -58.0 10.29 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.292 1.837 . . . . 1.0 112.452 171.351 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -35.6 71.73 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.81 1.644 . . . . 1.0 114.844 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.54 -43.06 99.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.432 1.493 . . . . 1.0 112.752 168.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.53 97.27 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.986 -1.072 . . . . 1.0 112.199 169.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.498 ' CD ' ' HZ3' ' A' ' 18' ' ' LYS . 23.5 tt0 -60.53 -43.79 96.79 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 1.0 113.774 170.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -51.68 -55.6 18.54 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 128.204 2.601 . . . . 1.0 110.616 170.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.13 -43.81 98.31 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.912 1.685 . . . . 1.0 112.968 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -59.72 -47.33 86.07 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.786 1.635 . . . . 1.0 113.883 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -41.3 81.74 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.584 1.954 . . . . 1.0 112.143 169.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.13 -35.47 48.99 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.218 2.607 . . . . 1.0 114.768 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -121.12 173.13 7.48 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 127.229 2.212 . . . . 1.0 115.685 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -92.17 -40.61 10.91 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 128.988 2.915 . . . . 1.0 115.366 -176.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.33 -11.78 48.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.283 2.633 . . . . 1.0 116.908 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -95.75 109.11 21.47 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.028 1.331 . . . . 1.0 114.589 -168.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -123.19 134.42 54.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.907 2.883 . . . . 1.0 112.022 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.279 0.1 OUTLIER -112.52 141.03 46.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.827 2.851 . . . . 1.0 114.534 -172.411 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -126.39 132.18 51.59 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.331 1.852 . . . . 1.0 108.859 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -124.14 125.34 44.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.943 1.697 . . . . 1.0 112.672 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -130.19 113.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 127.632 2.373 . . . . 1.0 111.168 -175.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.01 99.66 0.89 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.888 1.81 . . . . 1.0 115.888 173.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.96 -39.11 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 119.409 -2.057 . . . . 1.0 112.527 174.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -69.18 -10.56 58.3 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 127.3 2.24 . . . . 1.0 115.282 171.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.68 -44.82 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 119.95 1.25 . . . . 1.0 113.261 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -35.48 78.35 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.349 1.86 . . . . 1.0 113.047 170.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.72 46.73 1.02 Allowed Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.597 2.522 . . . . 1.0 115.723 171.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -124.57 159.34 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 129.213 3.005 . . . . 1.0 110.785 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 163.61 36.55 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.592 1.557 . . . . 1.0 114.543 -171.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -17.87 24.09 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 116.267 1.951 . . . . 1.0 116.267 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.41 -30.73 63.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.22 2.608 . . . . 1.0 112.323 171.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -86.36 -48.32 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.253 2.621 . . . . 1.0 112.861 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -55.05 -38.28 67.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.913 1.285 . . . . 1.0 113.797 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -62.84 -12.36 24.16 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 126.816 2.046 . . . . 1.0 115.39 170.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -101.12 -50.79 3.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 128.758 2.823 . . . . 1.0 110.574 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -50.92 -43.24 59.92 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 126.665 1.986 . . . . 1.0 114.197 171.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.05 60.45 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.186 2.194 . . . . 1.0 116.434 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.46 48.39 11.74 Favored Glycine 0 N--CA 1.479 1.544 0 C-N-CA 125.186 1.374 . . . . 1.0 110.58 -168.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 132.61 8.0 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.811 1.644 . . . . 1.0 113.23 -168.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.75 92.01 0.51 Allowed 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 123.592 2.861 . . . . 1.0 110.918 172.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.26 159.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 127.388 2.275 . . . . 1.0 110.589 172.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -132.67 -26.49 1.79 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.512 1.125 . . . . 1.0 112.815 169.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 p -123.12 178.12 5.24 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 127.963 2.505 . . . . 1.0 113.408 -172.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.08 161.16 32.01 Favored Pre-proline 0 N--CA 1.486 1.341 0 C-N-CA 127.372 2.269 . . . . 1.0 111.426 170.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.61 165.79 82.43 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 N-CA-C 115.087 1.149 . . . . 1.0 115.087 1.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -138.41 81.19 1.84 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.79 2.436 . . . . 1.0 110.912 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.7 mt -113.63 151.98 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 127.833 2.453 . . . . 1.0 113.405 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -133.48 104.73 6.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.029 2.132 . . . . 1.0 109.471 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -89.06 124.6 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 126.115 1.766 . . . . 1.0 109.589 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.447 0.0 OUTLIER 40.94 45.7 2.25 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 127.639 2.375 . . . . 1.0 113.023 -170.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 71.32 4.21 4.97 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 130.23 3.412 . . . . 1.0 117.688 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.13 132.25 43.1 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 127.765 2.426 . . . . 1.0 111.131 173.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.26 107.26 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.029 -1.044 . . . . 1.0 113.171 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.8 mm -122.44 89.52 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 128.103 2.561 . . . . 1.0 105.484 169.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.18 -55.75 0.01 OUTLIER Glycine 0 CA--C 1.539 1.567 0 C-N-CA 129.247 3.308 . . . . 1.0 118.212 -170.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.31 -144.15 15.69 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.791 2.615 . . . . 1.0 111.517 -175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -30.39 -43.32 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 128.378 2.671 . . . . 1.0 116.097 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 t -64.66 -63.8 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.815 2.046 . . . . 1.0 115.13 169.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -55.13 36.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.751 2.82 . . . . 1.0 114.192 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -51.72 -39.95 59.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 129.631 3.172 . . . . 1.0 113.389 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.38 67.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.176 1.39 . . . . 1.0 113.117 171.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.04 90.59 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.735 1.214 . . . . 1.0 112.346 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -56.06 -54.37 45.83 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.569 1.947 . . . . 1.0 113.44 173.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.17 -46.7 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.214 1.006 . . . . 1.0 112.544 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -58.45 -52.02 67.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.914 1.285 . . . . 1.0 113.134 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.84 -12.09 9.83 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.461 1.652 . . . . 1.0 115.461 171.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -97.74 -52.96 3.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.87 1.668 . . . . 1.0 111.782 171.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.1 mt -85.98 -30.07 23.03 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.359 1.985 . . . . 1.0 116.359 -172.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.62 6.85 42.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 126.649 1.98 . . . . 1.0 114.26 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 126.981 2.112 . . . . 1.0 113.574 173.818 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 114.059 1.133 . . . . 1.0 114.059 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 167.52 1.17 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 127.652 2.381 . . . . 1.0 115.453 170.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.94 -13.85 3.34 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 119.864 2.706 . . . . 1.0 119.864 168.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.19 34.89 9.26 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.679 1.74 . . . . 1.0 114.584 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 144.04 51.87 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 126.725 2.01 . . . . 1.0 115.197 -168.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 172.61 0.98 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 130.712 3.605 . . . . 1.0 112.195 -171.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.495 1.799 0 C-N-CA 128.466 2.706 . . . . 1.0 114.147 171.487 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -118.77 116.09 25.82 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.921 1.288 . . . . 1.0 111.156 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -117.38 116.2 26.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.489 1.516 . . . . 1.0 112.657 -169.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.97 131.8 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 126.327 1.851 . . . . 1.0 110.996 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.44 118.82 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.145 2.178 . . . . 1.0 112.179 -169.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -98.97 94.72 6.7 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.327 1.851 . . . . 1.0 113.308 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.31 77.89 0.99 Allowed Glycine 0 CA--C 1.545 1.946 0 C-N-CA 127.626 2.536 . . . . 1.0 118.804 169.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -68.2 -48.74 64.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 127.365 2.266 . . . . 1.0 114.266 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -61.25 143.31 55.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.781 1.633 . . . . 1.0 112.326 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.62 -7.07 9.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 128.067 2.746 . . . . 1.0 119.58 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -134.95 113.31 11.56 Favored Pre-proline 0 CA--C 1.562 1.406 0 CA-C-N 121.27 2.535 . . . . 1.0 115.484 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -62.57 -33.44 78.14 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 125.269 3.979 . . . . 1.0 115.725 -170.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.02 -36.73 77.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.851 0.86 . . . . 1.0 111.851 174.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -65.19 -38.59 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.027 2.131 . . . . 1.0 113.689 170.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.82 -54.15 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.856 1.262 . . . . 1.0 112.009 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -55.13 -43.92 74.57 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.221 0.918 . . . . 1.0 110.925 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.35 77.94 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 114.528 1.307 . . . . 1.0 114.528 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.498 ' HZ3' ' CD ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -57.79 -58.0 10.29 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.292 1.837 . . . . 1.0 112.452 171.351 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -35.6 71.73 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.81 1.644 . . . . 1.0 114.844 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.54 -43.06 99.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.432 1.493 . . . . 1.0 112.752 168.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.53 97.27 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.986 -1.072 . . . . 1.0 112.199 169.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.498 ' CD ' ' HZ3' ' A' ' 18' ' ' LYS . 23.5 tt0 -60.53 -43.79 96.79 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 1.0 113.774 170.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -51.68 -55.6 18.54 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 128.204 2.601 . . . . 1.0 110.616 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.13 -43.81 98.31 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.912 1.685 . . . . 1.0 112.968 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -59.72 -47.33 86.07 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.786 1.635 . . . . 1.0 113.883 174.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -41.3 81.74 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.584 1.954 . . . . 1.0 112.143 169.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.13 -35.47 48.99 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.218 2.607 . . . . 1.0 114.768 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -121.12 173.13 7.48 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 127.229 2.212 . . . . 1.0 115.685 -170.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -92.17 -40.61 10.91 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 128.988 2.915 . . . . 1.0 115.366 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.33 -11.78 48.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.283 2.633 . . . . 1.0 116.908 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -95.75 109.11 21.47 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.028 1.331 . . . . 1.0 114.589 -168.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -123.19 134.42 54.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.907 2.883 . . . . 1.0 112.022 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.279 0.1 OUTLIER -112.52 141.03 46.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.827 2.851 . . . . 1.0 114.534 -172.411 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -126.39 132.18 51.59 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.331 1.852 . . . . 1.0 108.859 172.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -124.14 125.34 44.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.943 1.697 . . . . 1.0 112.672 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -130.19 113.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 127.632 2.373 . . . . 1.0 111.168 -175.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.01 99.66 0.89 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.888 1.81 . . . . 1.0 115.888 173.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.96 -39.11 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 119.409 -2.057 . . . . 1.0 112.527 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -69.18 -10.56 58.3 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 127.3 2.24 . . . . 1.0 115.282 171.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.68 -44.82 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 119.95 1.25 . . . . 1.0 113.261 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -35.48 78.35 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.349 1.86 . . . . 1.0 113.047 170.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.72 46.73 1.02 Allowed Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.597 2.522 . . . . 1.0 115.723 171.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -124.57 159.34 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 129.213 3.005 . . . . 1.0 110.785 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 163.61 36.55 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.592 1.557 . . . . 1.0 114.543 -171.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -17.87 24.09 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 116.267 1.951 . . . . 1.0 116.267 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.41 -30.73 63.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.22 2.608 . . . . 1.0 112.323 171.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -86.36 -48.32 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.253 2.621 . . . . 1.0 112.861 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -55.05 -38.28 67.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.913 1.285 . . . . 1.0 113.797 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -62.84 -12.36 24.16 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 126.816 2.046 . . . . 1.0 115.39 170.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -101.12 -50.79 3.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 128.758 2.823 . . . . 1.0 110.574 173.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -50.92 -43.24 59.92 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 126.665 1.986 . . . . 1.0 114.197 171.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.05 60.45 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.186 2.194 . . . . 1.0 116.434 172.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.46 48.39 11.74 Favored Glycine 0 N--CA 1.479 1.544 0 C-N-CA 125.186 1.374 . . . . 1.0 110.58 -168.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 132.61 8.0 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.811 1.644 . . . . 1.0 113.23 -168.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.75 92.01 0.51 Allowed 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 123.592 2.861 . . . . 1.0 110.918 172.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.26 159.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 127.388 2.275 . . . . 1.0 110.589 172.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -132.67 -26.49 1.79 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.512 1.125 . . . . 1.0 112.815 169.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 p -123.12 178.12 5.24 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 127.963 2.505 . . . . 1.0 113.408 -172.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.08 161.16 32.01 Favored Pre-proline 0 N--CA 1.486 1.341 0 C-N-CA 127.372 2.269 . . . . 1.0 111.426 170.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.61 165.79 82.43 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 N-CA-C 115.087 1.149 . . . . 1.0 115.087 1.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -138.41 81.19 1.84 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.79 2.436 . . . . 1.0 110.912 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.7 mt -113.63 151.98 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 127.833 2.453 . . . . 1.0 113.405 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -133.48 104.73 6.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.029 2.132 . . . . 1.0 109.471 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -89.06 124.6 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 126.115 1.766 . . . . 1.0 109.589 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.447 0.0 OUTLIER 40.94 45.7 2.25 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 127.639 2.375 . . . . 1.0 113.023 -170.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 71.32 4.21 4.97 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 130.23 3.412 . . . . 1.0 117.688 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.13 132.25 43.1 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 127.765 2.426 . . . . 1.0 111.131 173.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.26 107.26 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.029 -1.044 . . . . 1.0 113.171 175.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.8 mm -122.44 89.52 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 128.103 2.561 . . . . 1.0 105.484 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.18 -55.75 0.01 OUTLIER Glycine 0 CA--C 1.539 1.567 0 C-N-CA 129.247 3.308 . . . . 1.0 118.212 -170.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.31 -144.15 15.69 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.791 2.615 . . . . 1.0 111.517 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -30.39 -43.32 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 128.378 2.671 . . . . 1.0 116.097 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 t -64.66 -63.8 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.815 2.046 . . . . 1.0 115.13 169.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -55.13 36.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.751 2.82 . . . . 1.0 114.192 176.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -51.72 -39.95 59.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 129.631 3.172 . . . . 1.0 113.389 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.38 67.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.176 1.39 . . . . 1.0 113.117 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.04 90.59 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.735 1.214 . . . . 1.0 112.346 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -56.06 -54.37 45.83 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.569 1.947 . . . . 1.0 113.44 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.17 -46.7 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.214 1.006 . . . . 1.0 112.544 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -58.45 -52.02 67.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.914 1.285 . . . . 1.0 113.134 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.84 -12.09 9.83 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.461 1.652 . . . . 1.0 115.461 171.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -97.74 -52.96 3.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.87 1.668 . . . . 1.0 111.782 171.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.1 mt -85.98 -30.07 23.03 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.359 1.985 . . . . 1.0 116.359 -172.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.62 6.85 42.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 126.649 1.98 . . . . 1.0 114.26 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 126.981 2.112 . . . . 1.0 113.574 173.818 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 114.059 1.133 . . . . 1.0 114.059 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 167.52 1.17 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 127.652 2.381 . . . . 1.0 115.453 170.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.94 -13.85 3.34 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 119.864 2.706 . . . . 1.0 119.864 168.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.19 34.89 9.26 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.679 1.74 . . . . 1.0 114.584 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 144.04 51.87 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 126.725 2.01 . . . . 1.0 115.197 -168.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 172.61 0.98 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 130.712 3.605 . . . . 1.0 112.195 -171.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.495 1.799 0 C-N-CA 128.466 2.706 . . . . 1.0 114.147 171.487 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.44 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 4.3 ttm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.025 -0.036 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.54 111.41 17.64 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 124.262 1.025 . . . . 1.0 113.039 -177.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.5 m -110.05 116.06 30.89 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 125.915 1.686 . . . . 1.0 112.446 -170.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 t -109.78 117.53 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 127.419 2.288 . . . . 1.0 110.979 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mp -106.97 123.43 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 127.132 2.173 . . . . 1.0 112.228 -173.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -101.09 101.8 12.63 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.478 1.911 . . . . 1.0 112.949 -174.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.75 69.47 1.4 Allowed Glycine 0 CA--C 1.534 1.224 0 N-CA-C 118.108 2.003 . . . . 1.0 118.108 170.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -61.13 -46.0 92.36 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.804 2.041 . . . . 1.0 113.352 171.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 t -65.56 108.72 2.12 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.817 2.847 . . . . 1.0 114.047 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.59 -4.32 23.08 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 126.681 2.086 . . . . 1.0 118.013 171.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 p -148.51 122.52 4.79 Favored Pre-proline 0 CA--C 1.563 1.46 0 CA-C-N 120.275 2.038 . . . . 1.0 114.466 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.34 -32.45 50.63 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 124.421 3.414 . . . . 1.0 114.796 -173.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -58.5 -38.92 78.69 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.244 1.417 . . . . 1.0 112.259 172.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -67.73 -43.81 79.07 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.952 1.701 . . . . 1.0 113.553 170.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -54.08 -53.97 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 CA-C-O 117.673 -1.156 . . . . 1.0 111.569 172.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -59.16 -44.44 92.12 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 119.272 0.942 . . . . 1.0 112.243 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.31 77.62 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 124.166 0.986 . . . . 1.0 113.496 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -61.4 2.53 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.925 1.29 . . . . 1.0 111.459 170.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.85 -39.15 58.4 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.986 2.114 . . . . 1.0 114.258 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -58.27 -45.43 87.88 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 126.283 1.833 . . . . 1.0 112.626 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.8 95.55 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.158 1.383 . . . . 1.0 112.926 170.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -59.98 -46.37 89.66 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.025 -1.047 . . . . 1.0 112.998 171.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -53.08 -52.91 57.08 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 126.509 1.924 . . . . 1.0 112.365 171.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.85 -41.96 92.59 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.285 1.434 . . . . 1.0 112.999 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -61.6 -37.63 84.61 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 172.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -41.59 97.41 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.373 1.469 . . . . 1.0 112.073 169.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -75.75 -34.36 60.27 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 128.514 2.725 . . . . 1.0 115.949 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -114.94 168.01 10.29 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 116.189 1.922 . . . . 1.0 116.189 -169.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -77.33 -52.0 9.9 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.447 2.299 . . . . 1.0 112.514 170.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -76.67 -18.09 58.76 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 128.565 2.746 . . . . 1.0 118.049 -172.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -95.14 112.62 24.3 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.703 1.371 . . . . 1.0 114.703 -168.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -126.23 133.66 51.43 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 127.834 2.454 . . . . 1.0 112.412 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.288 0.1 OUTLIER -114.58 140.25 48.94 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 117.189 2.292 . . . . 1.0 117.189 -170.286 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -126.67 134.29 50.75 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 127.306 2.242 . . . . 1.0 110.215 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -114.59 123.37 49.18 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.016 1.726 . . . . 1.0 112.544 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.84 115.72 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 128.921 2.889 . . . . 1.0 111.103 -177.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.71 94.28 1.01 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.035 1.865 . . . . 1.0 116.035 172.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.48 -43.07 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.405 -1.435 . . . . 1.0 112.159 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -68.85 -4.6 16.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.392 2.277 . . . . 1.0 115.12 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.64 -26.9 2.19 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 117.14 2.274 . . . . 1.0 117.14 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -10.72 59.81 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 120.68 1.582 . . . . 1.0 113.291 169.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.21 56.35 1.71 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 127.504 2.478 . . . . 1.0 113.854 177.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.6 mt -134.5 148.22 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 127.523 2.329 . . . . 1.0 111.924 -174.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -143.26 165.81 26.44 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.652 2.381 . . . . 1.0 112.403 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -27.66 8.52 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.673 1.989 . . . . 1.0 115.784 174.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -67.8 -42.0 82.27 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.654 1.981 . . . . 1.0 112.188 173.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -67.89 -52.5 35.72 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.943 1.697 . . . . 1.0 110.976 170.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.9 mt -54.92 -45.5 74.78 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.575 1.55 . . . . 1.0 114.496 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.2 -19.65 61.86 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.885 1.439 . . . . 1.0 114.885 172.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -89.74 -54.95 3.83 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 127.488 2.315 . . . . 1.0 111.961 170.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -46.16 -45.98 16.99 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 127.514 2.326 . . . . 1.0 113.474 171.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.03 -14.02 60.56 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 116.738 2.125 . . . . 1.0 116.738 174.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.95 42.28 6.4 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.007 1.765 . . . . 1.0 112.584 -169.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.97 132.65 14.96 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.97 2.108 . . . . 1.0 111.015 -169.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.54 67.83 2.17 Favored 'Trans proline' 0 CA--C 1.551 1.355 0 C-N-CA 124.137 3.225 . . . . 1.0 114.298 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.1 m -90.66 165.32 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 C-N-CA 126.768 2.027 . . . . 1.0 112.702 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -135.99 -50.37 0.7 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 125.329 1.451 . . . . 1.0 111.278 168.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.7 p -105.54 -177.19 3.29 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 126.738 2.015 . . . . 1.0 115.234 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.36 155.03 39.23 Favored Pre-proline 0 N--CA 1.495 1.817 0 C-N-CA 127.477 2.311 . . . . 1.0 112.615 177.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.74 169.05 71.69 Favored 'Cis proline' 0 CA--C 1.543 0.939 0 N-CA-C 115.005 1.117 . . . . 1.0 115.005 8.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -144.02 96.63 2.92 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.904 2.081 . . . . 1.0 110.313 171.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.3 mt -117.26 153.43 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 C-N-CA 128.852 2.861 . . . . 1.0 113.831 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -128.3 107.05 9.45 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.987 2.115 . . . . 1.0 109.629 174.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.8 t -90.87 127.08 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 126.265 1.826 . . . . 1.0 109.496 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.45 0.0 OUTLIER 45.87 39.99 6.09 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.396 1.879 . . . . 1.0 114.498 -169.112 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 64.34 6.72 3.17 Favored 'General case' 0 CA--C 1.568 1.672 0 C-N-CA 129.071 2.948 . . . . 1.0 115.955 -173.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -92.23 138.04 31.86 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.651 2.78 . . . . 1.0 111.16 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -61.43 108.63 0.98 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.489 -1.382 . . . . 1.0 113.158 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.7 mm -127.98 96.37 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 127.842 2.457 . . . . 1.0 106.453 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -21.91 -55.13 0.02 OUTLIER Glycine 0 CA--C 1.545 1.925 0 C-N-CA 128.77 3.081 . . . . 1.0 119.046 -170.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -139.83 11.27 Favored Glycine 0 N--CA 1.476 1.323 0 C-N-CA 128.014 2.721 . . . . 1.0 112.958 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -31.5 -40.61 0.04 OUTLIER 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 128.602 2.761 . . . . 1.0 116.35 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -65.01 0.74 Allowed 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 126.936 2.095 . . . . 1.0 113.939 168.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -48.06 58.16 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 131.637 3.975 . . . . 1.0 113.11 -168.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -54.2 -48.44 71.0 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 130.63 3.572 . . . . 1.0 113.394 171.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.56 -52.94 61.45 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.176 1.79 . . . . 1.0 112.674 172.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.79 -43.28 65.77 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.85 1.26 . . . . 1.0 113.568 171.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -60.18 -53.62 55.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.374 2.27 . . . . 1.0 113.61 170.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.2 t -50.94 -47.87 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.597 1.159 . . . . 1.0 111.491 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -60.57 -39.12 86.85 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.717 2.007 . . . . 1.0 114.322 173.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.91 -12.38 24.82 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 126.546 1.938 . . . . 1.0 113.846 168.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -103.25 -60.64 1.52 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.729 2.012 . . . . 1.0 113.624 169.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.3 mt -72.23 -28.64 63.29 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.012 2.125 . . . . 1.0 115.76 -172.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -109.27 6.65 24.76 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.168 1.787 . . . . 1.0 115.17 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.432 0 N-CA-C 117.724 2.49 . . . . 1.0 117.724 -170.665 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 109.578 -0.527 . . . . 1.0 109.578 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.7 t -155.41 153.78 30.91 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.531 1.932 . . . . 1.0 114.816 172.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 135.84 -10.02 4.24 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 127.298 2.38 . . . . 1.0 117.385 169.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 49.65 36.36 10.49 Favored 'General case' 0 CA--C 1.561 1.401 0 CA-C-N 120.033 1.916 . . . . 1.0 115.534 169.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 137.1 50.26 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 126.331 1.852 . . . . 1.0 113.463 -169.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -179.55 173.21 1.08 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 130.528 3.531 . . . . 1.0 111.574 -172.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.492 1.646 0 C-N-CA 128.97 2.908 . . . . 1.0 114.232 172.853 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ttm . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 119.091 -0.48 . . . . 1.0 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -106.56 118.87 37.79 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.167 1.787 . . . . 1.0 113.11 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.0 m -112.17 110.23 20.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.42 -1.425 . . . . 1.0 111.242 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.03 119.1 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 126.69 1.996 . . . . 1.0 111.033 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.04 132.62 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 126.265 1.826 . . . . 1.0 113.171 -170.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -109.95 97.7 7.16 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.613 1.965 . . . . 1.0 114.103 -172.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.03 87.95 1.14 Allowed Glycine 0 CA--C 1.548 2.141 0 N-CA-C 119.783 2.673 . . . . 1.0 119.783 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -68.41 -45.97 71.21 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 125.641 1.577 . . . . 1.0 112.091 168.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -61.61 98.02 0.08 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 128.784 2.834 . . . . 1.0 115.568 -169.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.02 -27.21 2.31 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 126.739 2.114 . . . . 1.0 117.521 170.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -149.65 135.57 10.18 Favored Pre-proline 0 CA--C 1.56 1.354 0 CA-C-N 119.752 1.776 . . . . 1.0 115.263 -170.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.2 -32.44 42.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 123.944 3.096 . . . . 1.0 115.703 -170.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -41.9 73.86 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.292 1.437 . . . . 1.0 111.839 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t -60.54 -42.97 97.61 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.527 1.531 . . . . 1.0 112.78 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.3 -54.19 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 124.15 0.98 . . . . 1.0 110.718 169.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 0.254 36.6 mtm-85 -59.23 -39.15 81.84 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.695 1.198 . . . . 1.0 113.177 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.74 70.48 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.339 1.455 . . . . 1.0 113.582 171.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -54.71 24.77 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.129 1.372 . . . . 1.0 113.039 170.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.14 -39.42 56.26 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.736 2.014 . . . . 1.0 113.404 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.38 -43.26 74.98 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.61 1.964 . . . . 1.0 114.112 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.51 99.74 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.065 1.346 . . . . 1.0 113.74 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.21 -41.87 99.21 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 126.114 1.765 . . . . 1.0 113.683 171.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -53.51 -50.47 65.35 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 129.452 3.101 . . . . 1.0 111.481 169.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.87 -44.18 93.85 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.683 1.993 . . . . 1.0 114.386 170.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t -66.04 -32.3 73.69 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 115.294 1.59 . . . . 1.0 115.294 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -68.4 -45.33 72.93 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 119.031 0.832 . . . . 1.0 110.869 168.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.73 -27.96 69.26 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 128.371 2.668 . . . . 1.0 114.065 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -138.98 148.32 43.34 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 126.796 2.039 . . . . 1.0 115.416 -170.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.78 -36.61 36.83 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.395 1.257 . . . . 1.0 114.395 175.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -58.06 -30.37 66.13 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 128.047 2.539 . . . . 1.0 114.901 170.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -95.28 97.35 9.8 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 122.792 1.282 . . . . 1.0 112.831 -168.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -96.44 124.3 40.39 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 130.162 3.385 . . . . 1.0 108.65 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.34 136.95 54.53 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.419 -1.426 . . . . 1.0 113.315 -172.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -129.64 131.17 46.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.566 1.946 . . . . 1.0 110.355 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -115.98 123.57 48.35 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.288 1.035 . . . . 1.0 112.279 174.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.59 116.71 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 128.835 2.854 . . . . 1.0 110.161 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.59 151.39 39.4 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.325 -1.484 . . . . 1.0 111.563 169.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.294 2.4 pp -118.65 -53.77 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 114.272 -1.331 . . . . 1.0 111.163 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -56.84 -40.86 76.84 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.954 1.252 . . . . 1.0 113.316 172.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.33 -31.45 33.46 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 115.685 1.735 . . . . 1.0 115.685 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.84 -14.82 43.84 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.022 1.729 . . . . 1.0 114.848 170.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.89 5.37 29.18 Favored Glycine 0 N--CA 1.489 2.229 0 C-N-CA 128.476 2.941 . . . . 1.0 117.931 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.7 mt -94.67 162.08 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 130.744 3.618 . . . . 1.0 110.985 -175.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.8 t -148.81 169.21 20.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.195 1.398 . . . . 1.0 114.583 -171.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -43.24 -47.82 6.53 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 127.107 2.163 . . . . 1.0 111.811 169.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -60.63 -26.39 66.99 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 127.395 2.278 . . . . 1.0 113.33 -177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -83.13 -51.75 7.23 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.016 2.127 . . . . 1.0 111.042 169.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 mt -54.09 -44.21 71.0 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.785 2.034 . . . . 1.0 113.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -56.26 -31.98 64.09 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.894 1.677 . . . . 1.0 113.982 171.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.86 -45.54 16.68 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.23 1.812 . . . . 1.0 112.259 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.63 -30.05 71.21 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.142 1.377 . . . . 1.0 113.83 170.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.33 -21.41 27.28 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.744 2.018 . . . . 1.0 116.006 172.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.26 -23.52 0.09 OUTLIER Glycine 0 CA--C 1.551 2.343 0 C-N-CA 126.982 2.23 . . . . 1.0 115.967 -169.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -63.61 132.55 95.22 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 128.779 2.832 . . . . 1.0 111.44 173.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.68 66.46 6.6 Favored 'Trans proline' 0 CA--C 1.553 1.439 0 C-N-CA 123.211 2.607 . . . . 1.0 114.117 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 m -67.42 152.46 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 126.555 1.942 . . . . 1.0 112.502 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.427 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 26.7 tp10 -118.41 -33.33 4.37 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.435 1.894 . . . . 1.0 114.53 173.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.8 p -138.45 -178.23 5.2 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 127.315 2.246 . . . . 1.0 114.55 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.27 158.53 69.28 Favored Pre-proline 0 N--CA 1.49 1.565 0 C-N-CA 127.094 2.158 . . . . 1.0 112.581 170.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.45 164.55 86.88 Favored 'Cis proline' 0 C--N 1.355 0.91 0 N-CA-C 115.296 1.229 . . . . 1.0 115.296 7.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -140.34 87.39 2.13 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.319 1.847 . . . . 1.0 110.906 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.3 mt -111.16 151.65 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 127.215 2.206 . . . . 1.0 113.114 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -129.32 94.7 3.85 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.444 2.298 . . . . 1.0 109.715 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.3 t -77.96 131.74 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 124.75 1.22 . . . . 1.0 109.431 172.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 4.5 m-20 43.62 29.75 0.3 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 129.479 3.112 . . . . 1.0 114.998 -169.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.261 45.2 mt-30 70.66 32.67 2.5 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 128.974 2.91 . . . . 1.0 114.851 -174.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.38 136.05 50.38 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 129.198 2.999 . . . . 1.0 109.743 171.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -60.03 112.69 1.98 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.096 -1.628 . . . . 1.0 114.085 -176.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.1 mm -125.73 104.85 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 128.282 2.633 . . . . 1.0 105.961 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -21.64 -62.51 0.02 OUTLIER Glycine 0 N--CA 1.48 1.594 0 C-N-CA 127.627 2.536 . . . . 1.0 116.601 -170.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.79 -149.75 20.31 Favored Glycine 0 C--O 1.221 -0.692 0 C-N-CA 127.794 2.616 . . . . 1.0 110.989 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -31.25 -55.42 0.24 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 126.47 1.908 . . . . 1.0 113.403 -169.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.2 t -46.01 -61.95 1.53 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 128.129 2.572 . . . . 1.0 116.382 170.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.77 -49.55 67.93 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 128.807 2.843 . . . . 1.0 112.525 173.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -49.06 63.44 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.985 3.314 . . . . 1.0 114.0 177.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.47 -53.06 62.37 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.826 1.651 . . . . 1.0 112.323 171.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.66 -43.72 72.63 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.731 1.212 . . . . 1.0 113.102 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -58.32 -51.96 67.62 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.408 1.883 . . . . 1.0 113.848 171.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.9 t -53.16 -52.39 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-N 119.535 1.061 . . . . 1.0 111.61 172.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -58.89 -51.7 68.89 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.496 2.319 . . . . 1.0 112.968 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -59.51 -12.2 5.95 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 127.326 2.25 . . . . 1.0 115.6 171.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -102.74 -58.74 1.82 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 127.313 2.245 . . . . 1.0 114.922 169.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.93 -27.42 43.7 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.278 2.231 . . . . 1.0 116.214 -175.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -100.92 4.56 42.72 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.009 1.724 . . . . 1.0 114.961 172.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 130.464 3.506 . . . . 1.0 117.151 -170.723 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 120.615 3.561 . . . . 1.0 120.615 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.2 t -135.93 175.38 9.65 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 116.946 2.202 . . . . 1.0 116.946 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 163.85 -9.84 0.08 OUTLIER Glycine 0 N--CA 1.482 1.758 0 N-CA-C 118.751 2.26 . . . . 1.0 118.751 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 57.42 17.96 4.14 Favored 'General case' 0 CA--C 1.565 1.544 0 N-CA-C 118.524 2.787 . . . . 1.0 118.524 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.41 114.97 9.05 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 126.788 2.035 . . . . 1.0 111.425 -176.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -179.49 175.82 0.87 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 126.911 2.085 . . . . 1.0 114.727 -174.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 2.3 tp . . . . . 0 N--CA 1.487 1.42 0 C-N-CA 129.376 3.07 . . . . 1.0 113.224 173.432 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.455 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 121.054 0.454 . . . . 1.0 111.063 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tm0? -119.25 121.43 39.63 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 129.061 2.945 . . . . 1.0 112.036 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 m -121.78 121.02 36.3 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 126.103 1.761 . . . . 1.0 111.638 -172.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.6 t -118.04 131.26 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 126.534 1.934 . . . . 1.0 111.781 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.41 122.03 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 125.833 1.653 . . . . 1.0 112.54 -171.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -105.86 105.88 16.13 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.618 1.967 . . . . 1.0 113.432 -172.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.81 70.08 1.35 Allowed Glycine 0 N--CA 1.483 1.808 0 C-N-CA 126.319 1.914 . . . . 1.0 116.623 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.474 ' NH2' ' HZ2' ' A' ' 18' ' ' LYS . 3.3 ttt180 -79.89 -53.04 7.14 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 127.667 2.387 . . . . 1.0 114.126 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -63.71 24.37 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 130.592 3.557 . . . . 1.0 118.054 -171.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.71 -32.8 0.5 Allowed Glycine 0 CA--C 1.543 1.841 0 C-N-CA 126.504 2.002 . . . . 1.0 117.156 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' SG ' HG22 ' A' ' 59' ' ' VAL . 14.3 p -140.51 142.35 28.8 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 127.023 2.129 . . . . 1.0 115.621 -172.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -61.3 -41.89 38.78 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 124.41 3.407 . . . . 1.0 115.134 -172.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -68.39 -38.07 80.96 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 120.878 1.672 . . . . 1.0 113.25 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.415 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.7 t -58.06 -40.69 81.64 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 119.286 0.948 . . . . 1.0 111.559 171.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.06 -52.11 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-O 116.755 -1.593 . . . . 1.0 110.086 171.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -41.9 70.42 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.26 1.824 . . . . 1.0 112.295 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.02 83.7 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.109 2.564 . . . . 1.0 112.818 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HZ2' ' NH2' ' A' ' 8' ' ' ARG . 3.3 ttpt -63.78 -52.11 61.79 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.25 1.42 . . . . 1.0 112.018 171.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -41.66 29.81 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 128.145 2.578 . . . . 1.0 113.172 172.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.62 -47.31 86.08 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.285 2.234 . . . . 1.0 113.999 171.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.96 96.2 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.906 0.883 . . . . 1.0 111.723 171.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.435 ' CD ' ' HZ3' ' A' ' 18' ' ' LYS . 35.7 tt0 -58.94 -43.52 91.21 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 126.967 2.107 . . . . 1.0 113.338 171.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -54.38 -55.11 31.92 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 131.59 3.956 . . . . 1.0 111.537 172.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.39 -48.46 81.65 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.677 1.991 . . . . 1.0 111.796 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t -53.71 -45.91 70.58 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 127.328 2.251 . . . . 1.0 114.8 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -43.26 86.22 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.463 1.905 . . . . 1.0 113.229 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.39 -51.25 64.19 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 126.803 2.041 . . . . 1.0 112.356 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.49 177.74 6.48 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 129.11 2.964 . . . . 1.0 114.273 -174.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.6 -22.14 8.23 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 127.949 2.5 . . . . 1.0 114.656 172.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -95.37 -19.81 19.63 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 118.049 2.611 . . . . 1.0 118.049 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -96.9 129.05 44.4 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 128.186 2.594 . . . . 1.0 110.894 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -116.36 130.94 57.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 128.383 2.673 . . . . 1.0 110.544 -173.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.1 136.13 54.67 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 127.515 2.326 . . . . 1.0 113.682 -176.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -130.03 133.5 46.78 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 127.584 2.353 . . . . 1.0 111.157 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -111.63 123.89 51.16 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.675 1.59 . . . . 1.0 112.769 173.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 t -122.73 115.0 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 126.926 2.09 . . . . 1.0 112.603 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.263 0.0 OUTLIER -71.86 102.47 2.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.817 1.414 . . . . 1.0 114.817 171.358 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.66 -39.48 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.236 -1.54 . . . . 1.0 111.735 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -65.19 -24.7 67.44 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.307 1.443 . . . . 1.0 113.478 172.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.9 -43.88 5.67 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.852 1.261 . . . . 1.0 114.074 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -63.56 -35.4 80.37 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.282 1.433 . . . . 1.0 112.928 172.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.52 35.64 0.98 Allowed Glycine 0 N--CA 1.491 2.306 0 C-N-CA 126.861 2.172 . . . . 1.0 117.233 172.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -124.75 160.3 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 130.389 3.475 . . . . 1.0 111.881 -171.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -140.01 168.14 20.49 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.874 2.07 . . . . 1.0 114.129 -171.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -32.84 62.77 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.762 1.023 . . . . 1.0 113.762 173.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -62.28 -36.83 83.29 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 127.348 2.259 . . . . 1.0 112.867 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.12 -51.1 16.67 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.939 2.096 . . . . 1.0 110.765 172.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.1 mt -59.07 -49.14 79.02 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.714 1.606 . . . . 1.0 113.439 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -56.49 -38.17 71.39 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.573 1.549 . . . . 1.0 113.871 172.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -65.36 -62.07 1.75 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.57 2.348 . . . . 1.0 111.358 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -57.43 -38.62 74.69 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.646 1.579 . . . . 1.0 113.26 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.17 -22.76 66.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.069 1.748 . . . . 1.0 114.973 171.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.95 30.51 73.47 Favored Glycine 0 CA--C 1.546 2.007 0 CA-C-N 119.254 0.934 . . . . 1.0 114.262 -172.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -148.26 121.45 4.67 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 128.797 2.839 . . . . 1.0 110.221 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.42 68.97 5.16 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 124.226 3.284 . . . . 1.0 113.246 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.1 161.86 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 125.767 1.627 . . . . 1.0 113.288 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -123.44 -58.29 1.62 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.853 2.061 . . . . 1.0 112.735 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.2 p -123.59 174.31 7.51 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 127.799 2.44 . . . . 1.0 114.215 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.436 HG22 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -83.75 157.46 63.81 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 127.295 2.238 . . . . 1.0 113.907 -172.428 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.28 168.91 73.13 Favored 'Cis proline' 0 CA--C 1.554 1.516 0 N-CA-C 116.673 1.759 . . . . 1.0 116.673 8.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -145.1 82.45 1.66 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.725 2.81 . . . . 1.0 111.764 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -110.48 152.06 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 128.005 2.522 . . . . 1.0 115.161 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -126.08 108.02 10.96 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.937 1.695 . . . . 1.0 109.57 175.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.9 t -97.62 130.45 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 126.053 1.741 . . . . 1.0 109.57 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 0.4 OUTLIER 39.57 62.76 1.12 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.831 2.852 . . . . 1.0 111.562 -172.04 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 55.1 10.09 0.38 Allowed 'General case' 0 CA--C 1.557 1.243 1 C-N-CA 133.26 4.624 . . . . 1.0 118.178 -174.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.64 142.34 51.56 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.244 1.818 . . . . 1.0 113.253 -173.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -60.58 134.35 56.99 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 115.991 1.848 . . . . 1.0 115.991 -174.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.6 mm -135.22 158.14 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 C-N-CA 131.104 3.762 . . . . 1.0 107.202 171.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.22 -70.86 0.85 Allowed Glycine 0 CA--C 1.537 1.458 0 O-C-N 119.618 -1.926 . . . . 1.0 111.106 172.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.5 -138.17 9.75 Favored Glycine 0 C--O 1.219 -0.831 0 C-N-CA 126.308 1.909 . . . . 1.0 110.552 -173.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -32.58 -53.6 0.33 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.077 1.939 . . . . 1.0 115.047 -172.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 t -62.27 -61.61 2.34 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.04 1.336 . . . . 1.0 114.363 173.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.78 -47.01 77.81 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.586 2.354 . . . . 1.0 113.429 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.62 -49.26 78.24 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 130.804 3.642 . . . . 1.0 113.703 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.96 97.64 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.1 1.318 . . . . 1.0 111.417 171.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.6 93.76 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.736 1.214 . . . . 1.0 113.1 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -62.6 -53.15 58.97 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.874 2.47 . . . . 1.0 112.927 171.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.0 t -53.1 -52.68 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 126.105 1.762 . . . . 1.0 111.421 172.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . 0.285 11.6 ptpt -63.79 -34.01 76.96 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.599 1.333 . . . . 1.0 114.599 176.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -60.79 -20.03 60.67 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 126.833 2.053 . . . . 1.0 112.587 171.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -98.82 -58.06 2.03 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 127.659 2.384 . . . . 1.0 113.24 172.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.11 -29.69 24.64 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 117.538 2.422 . . . . 1.0 117.538 -171.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -99.21 6.19 46.45 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 126.48 1.912 . . . . 1.0 113.346 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 C-N-CA 130.606 3.563 . . . . 1.0 114.687 -175.235 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 115.078 1.51 . . . . 1.0 115.078 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.2 p -123.06 153.16 40.24 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 116.156 1.909 . . . . 1.0 116.156 -174.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 168.45 -17.05 0.07 OUTLIER Glycine 0 N--CA 1.477 1.39 0 N-CA-C 117.953 1.941 . . . . 1.0 117.953 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.66 33.67 17.09 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 119.2 1.5 . . . . 1.0 114.485 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.54 121.01 18.96 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.574 1.55 . . . . 1.0 107.389 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 73.6 tttt 177.14 156.0 0.29 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 129.83 3.252 . . . . 1.0 111.38 -170.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.488 1.461 0 C-N-CA 130.391 3.476 . . . . 1.0 115.353 172.09 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 111.516 0.191 . . . . 1.0 111.516 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.53 120.61 38.03 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.195 1.398 . . . . 1.0 111.249 171.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.6 m -123.72 123.85 41.43 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 126.398 1.879 . . . . 1.0 112.121 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.1 t -115.61 130.83 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 127.576 2.351 . . . . 1.0 110.793 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.7 mt -123.06 125.67 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 127.151 2.18 . . . . 1.0 112.452 -168.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -111.81 100.23 8.76 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.617 1.567 . . . . 1.0 114.384 -170.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.87 74.08 1.11 Allowed Glycine 0 CA--C 1.546 1.973 0 C-N-CA 127.261 2.362 . . . . 1.0 118.868 170.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -67.74 -30.73 70.27 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.917 2.087 . . . . 1.0 114.635 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -61.39 128.06 34.49 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.496 2.036 . . . . 1.0 116.496 -169.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.03 -3.53 13.23 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 119.702 2.641 . . . . 1.0 119.702 169.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.17 122.66 26.83 Favored Pre-proline 0 CA--C 1.558 1.255 0 CA-C-N 121.47 2.635 . . . . 1.0 112.428 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -61.64 -30.49 85.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.155 3.237 . . . . 1.0 113.837 -172.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -52.25 -51.48 58.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 129.791 3.236 . . . . 1.0 112.958 171.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 t -70.68 -36.69 73.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.298 1.839 . . . . 1.0 113.981 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.16 -54.9 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 116.896 -1.526 . . . . 1.0 111.622 171.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -56.82 -43.2 80.8 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 120.371 1.441 . . . . 1.0 111.873 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.37 -50.73 70.72 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 114.733 1.382 . . . . 1.0 114.733 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.537 ' HZ3' ' CD ' ' A' ' 22' ' ' GLU . 1.4 tmpt? -60.37 -50.34 73.99 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.195 1.398 . . . . 1.0 113.059 171.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.2 -37.97 81.85 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.984 2.113 . . . . 1.0 113.991 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.71 -43.34 97.96 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.862 1.665 . . . . 1.0 113.267 169.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.39 96.18 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.657 1.183 . . . . 1.0 112.866 171.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.537 ' CD ' ' HZ3' ' A' ' 18' ' ' LYS . 38.4 tt0 -56.64 -45.13 81.75 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.632 1.973 . . . . 1.0 114.102 171.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -51.79 -56.45 13.79 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 127.764 2.425 . . . . 1.0 111.063 170.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.83 -45.59 91.92 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.122 1.769 . . . . 1.0 113.578 175.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 t -61.66 -35.12 77.06 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 114.234 1.198 . . . . 1.0 114.234 174.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.12 -50.85 52.1 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.052 1.341 . . . . 1.0 112.449 169.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -72.04 -18.9 61.91 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.725 2.01 . . . . 1.0 114.891 -175.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -125.29 170.86 10.89 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.506 1.922 . . . . 1.0 115.385 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -88.71 -51.49 5.64 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 131.309 3.844 . . . . 1.0 114.223 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -24.26 58.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 129.78 3.232 . . . . 1.0 117.662 -169.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -95.94 102.58 14.39 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.837 1.655 . . . . 1.0 113.419 -167.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.57 133.75 40.66 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 127.889 2.475 . . . . 1.0 114.707 171.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -109.97 138.86 45.75 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 128.615 2.766 . . . . 1.0 114.175 -175.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -127.34 132.69 50.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.974 2.109 . . . . 1.0 109.028 172.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -121.56 123.34 41.74 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.272 1.429 . . . . 1.0 112.279 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 t -127.13 108.89 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 127.29 2.236 . . . . 1.0 110.815 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.251 0.0 OUTLIER -70.09 84.1 0.52 Allowed 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.339 -1.476 . . . . 1.0 114.638 172.052 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -54.31 -37.27 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 120.021 -1.674 . . . . 1.0 111.549 170.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -66.14 -12.18 54.08 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 128.32 2.648 . . . . 1.0 115.241 170.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.38 -45.09 2.45 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 120.379 1.445 . . . . 1.0 114.016 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -61.84 -18.77 61.25 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 129.516 3.127 . . . . 1.0 115.209 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.26 50.16 2.86 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 126.928 2.204 . . . . 1.0 115.554 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.7 mt -134.02 148.69 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 126.732 2.013 . . . . 1.0 109.758 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.9 t -132.73 165.84 23.6 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.877 1.806 . . . . 1.0 115.877 -169.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -48.0 -40.82 23.78 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 127.984 2.514 . . . . 1.0 113.31 171.012 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -65.39 -20.39 66.36 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 128.799 2.839 . . . . 1.0 114.092 176.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' CG ' ' HZ1' ' A' ' 51' ' ' LYS . 6.3 t70 -94.38 -47.63 6.51 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.014 2.126 . . . . 1.0 111.3 170.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.3 mt -53.71 -51.35 63.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.24 2.216 . . . . 1.0 114.178 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -52.27 -32.7 38.47 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 121.316 1.871 . . . . 1.0 114.555 172.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -75.35 -55.8 5.35 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.035 1.334 . . . . 1.0 111.102 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.406 ' HZ1' ' CG ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -53.92 -37.49 63.87 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 126.846 2.058 . . . . 1.0 114.753 172.283 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.21 -9.72 58.96 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 129.156 2.982 . . . . 1.0 115.632 173.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.89 -53.66 2.54 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 125.574 1.559 . . . . 1.0 113.056 -170.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -69.27 130.96 90.61 Favored Pre-proline 0 N--CA 1.48 1.032 0 C-N-CA 129.514 3.125 . . . . 1.0 112.884 -173.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -65.97 84.54 0.25 Allowed 'Trans proline' 0 CA--C 1.552 1.384 0 C-N-CA 124.22 3.28 . . . . 1.0 111.275 170.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.5 m -78.26 149.82 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 125.902 1.681 . . . . 1.0 110.729 169.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.512 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 36.6 tp10 -120.23 -18.44 8.01 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.376 1.47 . . . . 1.0 114.738 174.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -146.37 178.68 8.07 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 128.499 2.72 . . . . 1.0 114.833 -168.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.78 162.46 50.02 Favored Pre-proline 0 N--CA 1.489 1.504 0 C-N-CA 127.006 2.122 . . . . 1.0 111.987 168.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.65 166.75 58.84 Favored 'Cis proline' 0 CA--C 1.554 1.483 0 N-CA-C 115.112 1.158 . . . . 1.0 115.112 -3.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -135.9 80.22 1.82 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.067 2.147 . . . . 1.0 111.51 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 46.0 mt -118.92 153.58 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 128.43 2.692 . . . . 1.0 112.916 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -126.62 111.62 14.53 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.264 2.226 . . . . 1.0 108.732 170.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.07 144.18 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.797 1.239 . . . . 1.0 109.325 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 4.4 p-10 47.97 22.73 0.41 Allowed 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 126.608 1.963 . . . . 1.0 116.247 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 75.71 4.0 3.9 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 131.237 3.815 . . . . 1.0 116.786 -172.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -95.98 159.43 14.97 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.294 2.238 . . . . 1.0 111.038 169.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -75.76 108.27 8.51 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.185 -1.572 . . . . 1.0 112.363 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.7 mm -119.98 102.14 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 128.105 2.562 . . . . 1.0 106.132 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -24.61 -58.91 0.05 OUTLIER Glycine 0 N--CA 1.477 1.41 0 C-N-CA 127.847 2.642 . . . . 1.0 116.438 -170.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.449 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 133.88 -138.43 10.08 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 128.026 2.727 . . . . 1.0 111.284 -178.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -30.82 -52.44 0.17 Allowed 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 127.712 2.405 . . . . 1.0 115.505 -172.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.3 t -66.28 -63.51 1.06 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 125.596 1.558 . . . . 1.0 115.062 173.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.449 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.6 OUTLIER -51.63 -52.65 46.12 Favored 'General case' 0 CA--C 1.563 1.465 0 C-N-CA 129.996 3.319 . . . . 1.0 111.528 177.683 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -60.98 -37.35 82.14 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 130.812 3.645 . . . . 1.0 114.699 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.58 -37.9 83.26 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 121.01 -1.056 . . . . 1.0 113.79 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.48 93.02 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.951 0.9 . . . . 1.0 112.505 170.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -55.63 -51.34 67.52 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.27 1.828 . . . . 1.0 113.596 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.7 t -55.57 -49.11 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 125.227 1.411 . . . . 1.0 113.025 172.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -54.89 -48.72 72.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 119.867 1.212 . . . . 1.0 112.2 170.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.54 -11.1 1.78 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 127.815 2.446 . . . . 1.0 115.966 170.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -101.69 -48.61 4.25 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 126.969 2.108 . . . . 1.0 113.269 169.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.4 mt -94.09 -57.03 2.65 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 128.162 2.585 . . . . 1.0 115.218 -170.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -72.95 -0.18 12.98 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.836 2.055 . . . . 1.0 114.804 171.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.441 0 C-N-CA 129.696 3.198 . . . . 1.0 114.849 174.33 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 116.65 2.092 . . . . 1.0 116.65 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.0 t -122.89 169.93 10.63 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.934 1.694 . . . . 1.0 114.417 -171.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 146.1 3.67 0.54 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 118.328 2.091 . . . . 1.0 118.328 172.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 47.75 16.19 0.07 Allowed 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 131.493 3.917 . . . . 1.0 118.194 170.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.33 141.5 38.4 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.443 2.297 . . . . 1.0 114.607 -170.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.79 -175.41 0.16 Allowed 'General case' 0 N--CA 1.495 1.794 1 C-N-CA 131.881 4.072 . . . . 1.0 112.482 176.483 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 N--CA 1.502 2.159 0 C-N-CA 126.752 2.021 . . . . 1.0 115.665 171.886 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttm . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 112.397 0.518 . . . . 1.0 112.397 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.12 120.58 38.17 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.468 2.307 . . . . 1.0 111.683 175.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.1 m -121.7 112.77 18.82 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.962 1.705 . . . . 1.0 112.522 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.68 117.44 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 126.07 1.748 . . . . 1.0 110.537 -175.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 mt -101.83 124.03 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 127.731 2.412 . . . . 1.0 112.877 -171.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.37 106.77 17.42 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 125.078 1.351 . . . . 1.0 113.018 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.98 81.22 0.25 Allowed Glycine 0 CA--C 1.539 1.538 0 C-N-CA 129.642 3.496 . . . . 1.0 118.821 172.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -69.39 -47.13 65.16 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 119.184 1.492 . . . . 1.0 114.419 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -65.34 123.68 20.22 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.899 1.679 . . . . 1.0 114.496 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.23 -10.93 26.64 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 127.777 2.608 . . . . 1.0 117.663 172.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 12.8 p -145.96 125.12 6.66 Favored Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 116.56 2.059 . . . . 1.0 116.56 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -48.65 -45.7 26.76 Favored 'Trans proline' 0 C--N 1.362 1.256 1 C-N-CA 125.768 4.312 . . . . 1.0 114.807 176.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -59.61 -38.42 81.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.35 1.06 . . . . 1.0 112.735 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.458 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 2.3 t -68.48 -43.31 77.2 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.833 1.253 . . . . 1.0 112.521 171.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.3 t -56.32 -52.36 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-O 117.5 -1.238 . . . . 1.0 111.418 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -64.64 -41.6 96.02 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.946 0.898 . . . . 1.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.36 -44.19 84.15 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 120.002 1.274 . . . . 1.0 113.942 172.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -61.82 2.11 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.344 1.858 . . . . 1.0 111.661 171.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -44.9 -44.46 9.67 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.527 2.331 . . . . 1.0 112.992 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.13 -49.0 79.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.863 2.065 . . . . 1.0 113.066 171.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.1 71.34 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.4 1.08 . . . . 1.0 111.954 171.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.59 -44.4 97.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.453 1.101 . . . . 1.0 112.338 171.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -45.48 71.55 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 129.031 2.932 . . . . 1.0 112.472 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.66 -50.01 66.55 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.338 2.655 . . . . 1.0 112.891 173.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 t -53.81 -42.12 68.06 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 126.881 2.072 . . . . 1.0 113.281 171.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -66.82 -48.24 69.53 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.837 1.255 . . . . 1.0 112.242 171.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -63.44 -45.55 90.38 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.912 2.085 . . . . 1.0 112.866 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -111.27 172.97 6.57 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 127.065 2.146 . . . . 1.0 114.788 -171.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -96.66 -41.16 8.65 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.362 1.865 . . . . 1.0 114.793 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -73.95 -13.24 60.85 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 128.288 2.635 . . . . 1.0 116.415 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -97.6 110.52 23.07 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.436 2.294 . . . . 1.0 114.044 -170.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -112.81 118.29 34.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.833 2.853 . . . . 1.0 110.172 177.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.56 136.8 47.56 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.95 2.5 . . . . 1.0 115.439 -171.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -129.79 138.64 51.16 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.364 2.266 . . . . 1.0 110.089 -176.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -107.75 123.65 48.86 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.582 1.953 . . . . 1.0 111.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.0 t -126.03 132.42 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 C-N-CA 127.575 2.35 . . . . 1.0 111.761 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.86 108.63 19.26 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.599 1.96 . . . . 1.0 115.563 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -71.58 -33.56 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.091 -1.631 . . . . 1.0 110.631 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -74.95 -2.86 28.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 131.384 3.874 . . . . 1.0 114.421 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.58 -50.62 1.62 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.467 1.507 . . . . 1.0 112.958 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -63.46 -11.23 21.92 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 125.543 1.537 . . . . 1.0 115.012 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.5 64.91 1.54 Allowed Glycine 0 N--CA 1.476 1.343 0 C-N-CA 127.896 2.665 . . . . 1.0 112.55 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.7 mt -144.08 161.53 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 126.48 1.912 . . . . 1.0 112.077 -171.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -147.77 162.98 38.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 129.614 3.166 . . . . 1.0 112.426 -175.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -26.85 56.47 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 115.622 1.712 . . . . 1.0 115.622 173.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -66.09 -42.87 88.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.003 0.921 . . . . 1.0 112.109 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.15 -52.88 60.66 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.747 2.019 . . . . 1.0 111.829 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.25 -29.52 68.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 117.029 -1.462 . . . . 1.0 113.864 -172.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -68.47 -35.02 76.96 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 121.602 2.001 . . . . 1.0 111.29 171.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -75.9 -66.55 0.77 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.977 2.511 . . . . 1.0 113.024 -172.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -54.15 -22.73 11.93 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.466 1.284 . . . . 1.0 114.466 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.72 -39.49 21.87 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 128.597 2.759 . . . . 1.0 116.646 172.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.36 13.58 81.46 Favored Glycine 0 CA--C 1.55 2.263 0 C-N-CA 125.252 1.406 . . . . 1.0 114.247 -171.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -106.27 117.88 56.19 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 128.547 2.739 . . . . 1.0 108.416 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -71.68 81.04 1.36 Allowed 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 124.47 3.446 . . . . 1.0 113.942 -171.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.441 HG13 HE22 ' A' ' 61' ' ' GLN . 3.1 m -84.71 159.92 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 125.049 1.339 . . . . 1.0 114.258 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -115.13 -47.95 2.84 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.811 2.044 . . . . 1.0 112.188 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 p -150.28 -177.22 5.81 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 131.521 3.928 . . . . 1.0 112.679 -171.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.55 155.53 68.68 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 120.141 -1.599 . . . . 1.0 111.148 -178.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -70.76 168.94 69.73 Favored 'Cis proline' 0 CA--C 1.546 1.116 0 N-CA-C 117.228 1.972 . . . . 1.0 117.228 8.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.441 HE22 HG13 ' A' ' 56' ' ' VAL . 82.0 mm-40 -143.64 81.34 1.69 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 129.413 3.085 . . . . 1.0 110.059 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.0 mt -107.74 152.52 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 C-N-CA 128.422 2.689 . . . . 1.0 114.892 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -125.63 90.82 3.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.843 2.057 . . . . 1.0 111.273 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.6 t -81.98 147.1 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 126.094 1.758 . . . . 1.0 108.723 172.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.31 1.2 p-10 48.55 23.8 0.67 Allowed 'General case' 0 CA--C 1.566 1.588 0 O-C-N 120.063 -1.648 . . . . 1.0 115.399 -172.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 62.62 27.72 16.3 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 128.08 2.552 . . . . 1.0 114.191 -172.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.521 HE22 HD13 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -132.6 135.6 46.0 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 131.373 3.869 . . . . 1.0 109.513 -178.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.6 108.56 4.42 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 119.476 -2.015 . . . . 1.0 114.802 -171.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.521 HD13 HE22 ' A' ' 67' ' ' GLN . 22.7 mm -107.64 125.84 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 129.669 3.188 . . . . 1.0 107.433 171.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -31.92 -64.53 0.23 Allowed Glycine 0 CA--C 1.544 1.859 0 C-N-CA 125.155 1.359 . . . . 1.0 115.052 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.497 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 129.03 -140.74 11.94 Favored Glycine 0 C--O 1.217 -0.928 0 C-N-CA 128.378 2.894 . . . . 1.0 109.465 -172.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -32.7 -45.04 0.11 Allowed 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 127.371 2.268 . . . . 1.0 115.775 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -62.42 1.67 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 126.925 2.09 . . . . 1.0 114.763 171.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.497 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -55.62 -55.11 35.87 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 129.117 2.967 . . . . 1.0 112.823 172.667 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -47.32 68.95 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 127.682 2.393 . . . . 1.0 114.749 172.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.12 77.55 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.972 1.26 . . . . 1.0 111.638 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.66 76.0 Favored 'General case' 0 CA--C 1.56 1.34 0 N-CA-C 113.987 1.106 . . . . 1.0 113.987 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -60.59 -53.65 54.97 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.695 1.998 . . . . 1.0 112.0 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.3 t -52.83 -44.31 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 126.243 1.817 . . . . 1.0 111.96 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.419 ' N ' ' HE2' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -57.76 -55.44 34.86 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.135 1.374 . . . . 1.0 110.861 172.453 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -52.9 -13.6 0.45 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.407 1.883 . . . . 1.0 115.666 171.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -99.88 -59.88 1.63 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 126.334 1.854 . . . . 1.0 112.621 171.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.8 mt -86.68 -41.84 13.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 128.142 2.577 . . . . 1.0 116.132 -172.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -93.22 3.45 55.65 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 128.943 2.897 . . . . 1.0 113.996 177.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 1 C-N-CA 132.566 4.346 . . . . 1.0 115.427 -174.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.311 -0.626 . . . . 1.0 109.311 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.15 149.71 12.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.754 1.622 . . . . 1.0 114.358 174.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 150.46 -16.01 0.98 Allowed Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.346 1.927 . . . . 1.0 117.901 171.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.1 27.99 6.4 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 120.261 2.031 . . . . 1.0 114.04 173.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.6 t -72.85 130.64 40.9 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 129.175 2.99 . . . . 1.0 110.85 -171.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt 177.7 124.84 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 126.709 2.004 . . . . 1.0 115.421 -170.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.419 10.6 tp . . . . . 0 N--CA 1.492 1.625 0 C-N-CA 130.933 3.693 . . . . 1.0 117.125 171.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 tpp . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 111.538 0.199 . . . . 1.0 111.538 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -118.54 122.68 43.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.591 1.956 . . . . 1.0 113.85 172.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.5 m -113.8 116.12 28.86 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.985 0.914 . . . . 1.0 111.599 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.6 t -110.68 124.07 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 127.158 2.183 . . . . 1.0 109.076 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 mt -109.96 126.91 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 128.66 2.784 . . . . 1.0 114.502 -170.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -106.09 115.01 29.5 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.286 1.835 . . . . 1.0 113.084 176.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 9' ' ' SER . . . 72.65 72.46 0.96 Allowed Glycine 0 CA--C 1.536 1.397 0 N-CA-C 120.465 2.946 . . . . 1.0 120.465 171.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -76.64 32.14 0.13 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 127.977 2.511 . . . . 1.0 111.464 171.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 7' ' ' GLY . 77.7 p -114.46 121.92 45.01 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 131.681 3.992 . . . . 1.0 117.184 -171.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.43 -62.56 2.67 Favored Glycine 0 N--CA 1.48 1.601 0 C-N-CA 126.642 2.067 . . . . 1.0 115.996 171.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 11.1 p -69.45 117.38 52.13 Favored Pre-proline 0 CA--C 1.551 1.018 0 N-CA-C 115.532 1.678 . . . . 1.0 115.532 172.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -67.97 -30.79 32.1 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.647 2.898 . . . . 1.0 114.566 -172.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -66.69 -37.89 85.67 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 119.836 1.198 . . . . 1.0 111.14 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.5 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -56.62 -46.38 80.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.413 1.485 . . . . 1.0 112.668 171.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.0 -50.87 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 C-N-CA 124.153 0.981 . . . . 1.0 110.6 171.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -56.68 -41.54 77.48 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.26 0.936 . . . . 1.0 113.172 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.5 -47.39 76.27 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.989 1.715 . . . . 1.0 112.459 172.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -51.67 69.03 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.699 1.599 . . . . 1.0 111.019 171.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.47 -44.52 62.47 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.107 1.763 . . . . 1.0 114.221 173.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.36 -48.52 80.34 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.381 2.272 . . . . 1.0 113.375 172.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.5 95.57 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.885 0.874 . . . . 1.0 112.062 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.05 -43.77 87.04 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.1 1.36 . . . . 1.0 113.028 171.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -53.32 -46.66 69.53 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 129.53 3.132 . . . . 1.0 111.706 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.99 -51.27 59.92 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.372 2.669 . . . . 1.0 113.611 171.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.37 -37.25 80.14 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.927 1.691 . . . . 1.0 113.629 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -66.71 -44.49 81.49 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.537 2.735 . . . . 1.0 113.033 171.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.78 -46.49 75.13 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.361 2.264 . . . . 1.0 111.91 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -115.78 -178.42 3.39 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.696 2.109 . . . . 1.0 116.696 -171.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -106.52 -36.05 6.89 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 127.584 2.354 . . . . 1.0 114.97 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -32.45 73.83 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.286 1.434 . . . . 1.0 113.395 -171.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -97.99 119.72 37.12 Favored 'General case' 0 C--N 1.316 -0.863 1 C-N-CA 132.422 4.289 . . . . 1.0 110.967 -171.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -126.63 126.46 43.62 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.95 2.9 . . . . 1.0 110.244 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.0 136.94 47.69 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.249 1.82 . . . . 1.0 114.957 -172.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -129.75 135.01 47.95 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.532 1.933 . . . . 1.0 109.624 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -118.81 123.83 45.73 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.517 1.527 . . . . 1.0 113.693 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.7 t -122.74 115.51 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 128.42 2.688 . . . . 1.0 112.262 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.316 0.0 OUTLIER -73.1 101.44 3.29 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 116.665 2.098 . . . . 1.0 116.665 173.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -70.55 -33.43 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 O-C-N 120.03 -1.669 . . . . 1.0 112.099 172.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -80.68 2.27 26.59 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 126.684 1.994 . . . . 1.0 114.22 172.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.71 -46.8 2.11 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.38 -0.825 . . . . 1.0 112.599 171.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.74 -18.25 63.85 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 126.734 2.013 . . . . 1.0 115.183 171.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.53 56.38 2.14 Favored Glycine 0 N--CA 1.478 1.442 0 C-N-CA 127.023 2.249 . . . . 1.0 114.7 175.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.2 mt -132.21 157.62 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 127.654 2.382 . . . . 1.0 111.544 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 t -145.45 164.48 31.43 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.436 2.294 . . . . 1.0 113.959 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -31.08 25.62 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.65 1.58 . . . . 1.0 113.756 171.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -63.38 -39.66 95.13 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 125.544 1.538 . . . . 1.0 111.348 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -70.36 -56.99 5.33 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.67 1.988 . . . . 1.0 111.131 171.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 mt -57.37 -46.36 83.47 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.943 2.497 . . . . 1.0 112.745 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -55.43 -35.42 65.41 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.074 1.35 . . . . 1.0 114.077 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -81.0 -31.18 34.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.181 1.792 . . . . 1.0 113.222 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -79.47 -25.05 41.99 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 127.11 2.164 . . . . 1.0 114.128 171.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.6 -23.68 19.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 129.493 3.117 . . . . 1.0 116.45 174.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.73 -25.6 1.15 Allowed Glycine 0 CA--C 1.547 2.037 0 C-N-CA 125.633 1.587 . . . . 1.0 114.655 -171.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -66.89 125.97 91.67 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 130.393 3.477 . . . . 1.0 110.446 171.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -71.09 79.54 1.35 Allowed 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 123.741 2.961 . . . . 1.0 110.68 173.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 m -84.63 141.53 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.562 1.145 . . . . 1.0 113.001 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -124.21 -28.66 3.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.333 2.653 . . . . 1.0 112.655 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.7 p -126.94 -179.56 4.9 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 129.953 3.301 . . . . 1.0 112.886 -172.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.54 164.98 14.86 Favored Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 128.435 2.694 . . . . 1.0 113.031 172.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.64 168.23 71.3 Favored 'Cis proline' 0 CA--C 1.551 1.365 0 N-CA-C 116.103 1.54 . . . . 1.0 116.103 -1.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -135.44 75.01 1.54 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.964 2.906 . . . . 1.0 112.126 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.9 mt -105.65 151.36 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 127.185 2.194 . . . . 1.0 114.421 172.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -129.14 110.39 11.97 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 129.893 3.277 . . . . 1.0 109.759 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.8 t -98.29 133.35 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.886 1.674 . . . . 1.0 110.331 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 42.91 31.6 0.34 Allowed 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 130.009 3.324 . . . . 1.0 114.079 -172.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 94.37 3.8 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.742 1 C-N-CA 134.348 5.059 . . . . 1.0 116.935 -178.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.35 145.03 50.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 119.542 -1.974 . . . . 1.0 113.26 -175.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -60.58 114.23 2.87 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.784 1.401 . . . . 1.0 114.784 -172.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.7 mm -131.27 97.48 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 128.718 2.807 . . . . 1.0 106.314 171.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -9.29 -62.77 0.01 OUTLIER Glycine 0 CA--C 1.535 1.343 0 C-N-CA 129.831 3.586 . . . . 1.0 118.648 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.434 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 130.2 -144.06 15.33 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 126.25 1.881 . . . . 1.0 111.103 -171.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -33.1 -55.77 0.4 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.901 2.08 . . . . 1.0 112.783 -172.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 t -54.16 -61.75 2.1 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 127.014 2.125 . . . . 1.0 115.032 173.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.434 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -59.86 -58.78 7.09 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 129.238 3.015 . . . . 1.0 111.264 178.137 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -39.16 49.28 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.767 2.827 . . . . 1.0 115.222 172.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.49 66.73 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.76 1.163 . . . . 1.0 110.648 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.22 -36.93 66.51 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.923 1.289 . . . . 1.0 113.721 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -64.94 -53.48 45.68 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.944 2.498 . . . . 1.0 113.439 171.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.8 t -54.86 -48.8 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 125.023 1.329 . . . . 1.0 110.763 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.406 ' HZ1' ' CG ' ' A' ' 84' ' ' ASP . 6.9 mmtm -53.44 -52.14 60.38 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.445 1.898 . . . . 1.0 112.549 172.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -53.07 -20.11 3.37 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 127.115 2.166 . . . . 1.0 115.417 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -100.02 -59.16 1.76 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.24 2.216 . . . . 1.0 114.185 173.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.28 -63.87 1.31 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 128.198 2.599 . . . . 1.0 113.598 -175.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.406 ' CG ' ' HZ1' ' A' ' 80' ' ' LYS . 4.9 m-20 -70.12 6.72 1.17 Allowed 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 127.469 2.308 . . . . 1.0 114.868 172.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.204 0 C-N-CA 130.919 3.688 . . . . 1.0 117.262 -171.441 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 122.205 1.002 . . . . 1.0 112.193 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 36.9 t -141.5 149.38 40.83 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.691 1.596 . . . . 1.0 113.834 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 159.99 -9.32 0.15 Allowed Glycine 0 CA--C 1.543 1.802 0 C-N-CA 128.798 3.094 . . . . 1.0 116.566 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 55.44 24.39 6.68 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 128.785 2.834 . . . . 1.0 116.218 171.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.65 142.1 48.3 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 118.182 2.66 . . . . 1.0 118.182 -171.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt 176.92 159.36 0.36 Allowed 'General case' 0 N--CA 1.489 1.491 1 C-N-CA 132.834 4.454 . . . . 1.0 110.289 -172.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.253 5.7 tp . . . . . 0 N--CA 1.495 1.794 0 C-N-CA 126.669 1.988 . . . . 1.0 113.858 175.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 112.213 0.449 . . . . 1.0 112.213 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 121.7 41.33 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.471 1.109 . . . . 1.0 111.016 171.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.0 m -121.3 121.52 37.88 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.927 1.691 . . . . 1.0 113.034 -171.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 t -114.37 128.44 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 126.946 2.099 . . . . 1.0 111.403 -172.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mp -116.23 119.74 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 127.003 2.121 . . . . 1.0 112.192 -171.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -99.92 95.93 7.22 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.721 2.008 . . . . 1.0 112.129 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.51 69.84 1.37 Allowed Glycine 0 CA--C 1.532 1.1 0 C-N-CA 128.468 2.937 . . . . 1.0 118.493 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -54.11 -43.3 70.31 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 125.338 1.455 . . . . 1.0 112.025 171.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -86.92 131.74 34.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.17 1.788 . . . . 1.0 114.104 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.1 -14.54 5.93 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 128.171 2.796 . . . . 1.0 117.251 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.516 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.3 p -162.4 139.73 6.29 Favored Pre-proline 0 CA--C 1.562 1.427 0 C-N-CA 128.064 2.546 . . . . 1.0 113.635 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -65.32 -30.38 53.97 Favored 'Trans proline' 0 CA--C 1.548 1.184 0 C-N-CA 123.958 3.106 . . . . 1.0 114.185 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -60.69 -39.0 86.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.84 1.656 . . . . 1.0 113.471 172.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.516 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.8 t -64.47 -39.57 94.06 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.159 1.17 . . . . 1.0 114.159 173.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.5 t -57.98 -51.81 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 117.114 -1.422 . . . . 1.0 109.002 171.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -56.42 -42.24 77.7 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.987 0.915 . . . . 1.0 113.456 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.99 95.14 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.831 1.252 . . . . 1.0 113.001 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -64.18 -56.57 13.79 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.667 1.587 . . . . 1.0 113.078 171.829 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.93 -37.38 14.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.99 2.516 . . . . 1.0 113.774 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.78 -52.85 63.72 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.717 1.607 . . . . 1.0 113.183 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.45 82.37 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.028 1.331 . . . . 1.0 112.335 172.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.93 -49.1 79.12 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.835 1.254 . . . . 1.0 112.639 171.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tmmt? -54.53 -46.93 73.65 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 126.49 1.916 . . . . 1.0 112.485 172.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.24 -44.06 92.37 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.683 1.993 . . . . 1.0 112.502 171.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -60.32 -44.07 95.8 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.962 1.705 . . . . 1.0 113.568 172.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.58 -46.96 85.91 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 126.116 1.766 . . . . 1.0 111.802 171.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.07 -54.48 33.42 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.065 2.146 . . . . 1.0 111.09 -176.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -100.79 162.73 12.71 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 128.445 2.698 . . . . 1.0 115.505 -172.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -41.06 12.89 Favored 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 126.386 1.874 . . . . 1.0 111.343 171.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -53.01 -27.67 20.45 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 130.3 3.44 . . . . 1.0 118.768 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -98.18 110.49 23.06 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 119.797 3.258 . . . . 1.0 119.797 -170.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -103.56 131.62 50.53 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.591 2.756 . . . . 1.0 110.804 171.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.09 136.43 54.15 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.071 2.148 . . . . 1.0 113.175 -175.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -129.91 134.33 47.42 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.851 1.66 . . . . 1.0 112.132 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -107.23 123.45 48.32 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 128.028 2.531 . . . . 1.0 110.469 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.2 t -128.59 118.8 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 127.026 2.13 . . . . 1.0 110.37 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.76 92.01 8.96 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 119.995 -1.69 . . . . 1.0 114.651 -172.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.45 -38.97 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 119.622 -1.924 . . . . 1.0 112.708 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -74.97 -16.29 60.64 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.87 1.268 . . . . 1.0 113.361 174.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.88 -51.99 4.25 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 119.426 1.012 . . . . 1.0 112.792 172.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.8 -9.35 54.32 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 126.677 1.991 . . . . 1.0 116.106 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.26 37.08 6.35 Favored Glycine 0 N--CA 1.483 1.779 0 C-N-CA 126.247 1.88 . . . . 1.0 116.591 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.8 mt -117.34 149.22 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 128.699 2.8 . . . . 1.0 110.002 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -131.96 168.93 17.05 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.051 1.74 . . . . 1.0 115.215 -171.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -44.27 -44.99 8.39 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.461 2.704 . . . . 1.0 112.096 171.535 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -60.22 -36.16 77.08 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.793 1.637 . . . . 1.0 111.747 -178.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -74.93 -50.07 18.03 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.523 1.929 . . . . 1.0 112.015 172.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.21 -45.2 88.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.109 1.764 . . . . 1.0 113.558 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.02 -31.37 68.77 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.624 1.342 . . . . 1.0 114.624 174.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -77.26 -47.23 20.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.309 1.844 . . . . 1.0 111.312 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -42.02 76.01 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.879 1.272 . . . . 1.0 112.28 171.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.12 -21.91 60.65 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.132 2.573 . . . . 1.0 116.331 174.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.01 26.28 58.02 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-N 119.291 0.951 . . . . 1.0 112.884 -171.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -139.59 120.35 9.49 Favored Pre-proline 0 N--CA 1.481 1.102 0 C-N-CA 130.883 3.673 . . . . 1.0 108.981 -171.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.49 75.39 1.99 Allowed 'Trans proline' 0 CA--C 1.55 1.284 0 C-N-CA 124.673 3.582 . . . . 1.0 113.814 -172.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG1' HE22 ' A' ' 61' ' ' GLN . 12.4 m -71.19 149.45 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 125.319 1.448 . . . . 1.0 113.257 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 15.4 tp10 -131.79 -21.16 2.48 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 126.689 1.995 . . . . 1.0 113.977 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.7 p -140.11 -179.36 5.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 130.71 3.604 . . . . 1.0 112.797 -173.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.59 154.71 38.42 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 127.759 2.424 . . . . 1.0 111.702 171.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.19 166.67 82.6 Favored 'Cis proline' 0 CA--C 1.544 0.994 0 N-CA-C 116.066 1.526 . . . . 1.0 116.066 7.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.461 HE22 ' CG1' ' A' ' 56' ' ' VAL . 79.4 mm-40 -134.82 76.32 1.62 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.176 2.19 . . . . 1.0 112.56 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.4 mt -111.75 151.21 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 128.819 2.848 . . . . 1.0 114.535 174.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -130.69 110.36 11.31 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.696 2.398 . . . . 1.0 109.056 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.5 t -93.87 138.83 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.768 1.627 . . . . 1.0 109.224 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.304 6.7 p-10 41.66 31.43 0.2 Allowed 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 127.491 2.316 . . . . 1.0 115.168 -171.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.255 60.7 mm-40 74.21 9.44 4.52 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 129.992 3.317 . . . . 1.0 117.07 -174.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -107.71 146.65 31.8 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 128.041 2.536 . . . . 1.0 112.136 172.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -64.96 115.89 5.84 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.857 -1.152 . . . . 1.0 113.327 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.6 mm -133.04 94.68 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 129.134 2.974 . . . . 1.0 104.555 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.57 -58.5 0.01 OUTLIER Glycine 0 N--CA 1.475 1.257 0 C-N-CA 128.99 3.186 . . . . 1.0 116.42 -172.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.77 -142.08 13.53 Favored Glycine 0 C--O 1.218 -0.864 0 C-N-CA 127.303 2.383 . . . . 1.0 111.517 -173.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -32.29 -51.08 0.25 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 127.164 2.186 . . . . 1.0 114.312 -175.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t -60.65 -61.47 2.56 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 121.164 1.802 . . . . 1.0 115.019 171.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.2 -57.38 11.7 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 130.153 3.381 . . . . 1.0 110.67 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -37.62 62.99 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.147 2.579 . . . . 1.0 114.36 171.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.8 -41.43 91.91 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.252 1.387 . . . . 1.0 111.996 171.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.95 97.67 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.382 1.073 . . . . 1.0 111.273 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -57.28 -53.19 60.88 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.057 2.143 . . . . 1.0 111.175 171.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.3 t -51.55 -52.76 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.845 2.058 . . . . 1.0 111.983 172.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -53.01 59.08 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 120.535 1.516 . . . . 1.0 111.707 172.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.47 -13.37 3.52 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 127.863 2.465 . . . . 1.0 115.553 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -100.37 -59.33 1.73 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 128.171 2.588 . . . . 1.0 112.849 171.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.6 mt -72.74 -62.37 1.48 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.651 2.381 . . . . 1.0 112.981 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.08 0.56 9.23 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.114 2.566 . . . . 1.0 115.367 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.451 0 C-N-CA 129.949 3.299 . . . . 1.0 114.856 172.444 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 117.587 2.44 . . . . 1.0 117.587 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 26.7 t -123.45 160.13 27.53 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.089 1.756 . . . . 1.0 113.854 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 156.24 -6.38 0.23 Allowed Glycine 0 CA--C 1.542 1.729 0 N-CA-C 117.651 1.82 . . . . 1.0 117.651 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.37 18.02 1.22 Allowed 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 128.499 2.72 . . . . 1.0 116.346 172.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 53.7 t -73.87 123.86 25.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 130.848 3.659 . . . . 1.0 116.028 -171.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.81 -176.75 0.14 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 130.181 3.392 . . . . 1.0 113.637 175.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.499 2.024 0 C-N-CA 127.486 2.314 . . . . 1.0 115.104 174.622 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 tpp . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.535 0.683 . . . . 1.0 111.574 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.79 122.11 41.64 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.057 2.143 . . . . 1.0 111.297 176.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.3 m -117.74 114.09 22.81 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 126.41 1.884 . . . . 1.0 110.952 -172.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 t -110.92 129.38 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 127.141 2.176 . . . . 1.0 110.252 -173.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 mt -113.47 127.37 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 127.666 2.386 . . . . 1.0 110.814 -171.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -115.69 96.17 5.49 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.372 1.469 . . . . 1.0 112.145 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.68 28.6 5.91 Favored Glycine 0 N--CA 1.48 1.616 0 N-CA-C 121.53 3.372 . . . . 1.0 121.53 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -54.47 34.5 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 119.69 1.745 . . . . 1.0 112.354 177.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -71.24 59.84 0.27 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 125.927 1.691 . . . . 1.0 112.912 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.98 -61.34 0.02 OUTLIER Glycine 0 CA--C 1.539 1.549 0 C-N-CA 128.79 3.09 . . . . 1.0 113.938 -172.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -132.37 132.07 22.67 Favored Pre-proline 0 CA--C 1.562 1.414 0 C-N-CA 126.246 1.819 . . . . 1.0 115.746 -172.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -49.0 -40.71 40.86 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 125.293 3.995 . . . . 1.0 116.552 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.1 -39.16 88.92 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.677 1.126 . . . . 1.0 113.514 176.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 t -64.26 -40.06 95.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.287 1.435 . . . . 1.0 111.639 171.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.44 -51.97 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.589 1.156 . . . . 1.0 112.876 171.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -52.84 -41.33 64.15 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 120.189 1.359 . . . . 1.0 111.961 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.15 90.83 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 125.298 1.439 . . . . 1.0 114.315 171.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmpt? -58.63 -54.42 47.32 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 127.134 2.174 . . . . 1.0 112.736 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.47 -44.61 65.68 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.625 2.77 . . . . 1.0 112.383 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.62 -50.23 74.33 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.039 1.335 . . . . 1.0 112.467 171.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.0 -43.46 77.69 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.646 1.178 . . . . 1.0 113.278 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.88 -47.83 84.18 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.833 1.653 . . . . 1.0 113.125 171.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -54.0 -46.7 71.81 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 127.369 2.268 . . . . 1.0 112.172 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -55.03 40.07 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.295 2.238 . . . . 1.0 112.694 172.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 t -59.7 -31.73 69.85 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 114.593 1.331 . . . . 1.0 114.593 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.26 -47.27 71.23 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 126.854 2.062 . . . . 1.0 109.834 170.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -66.11 -32.65 74.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.058 2.543 . . . . 1.0 113.743 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.78 163.86 31.5 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 116.671 2.1 . . . . 1.0 116.671 176.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -98.11 -13.46 20.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.459 2.303 . . . . 1.0 113.603 171.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -42.65 61.43 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.115 2.166 . . . . 1.0 111.743 171.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -98.35 142.22 30.26 Favored 'General case' 0 CA--C 1.552 1.056 1 C-N-CA 132.193 4.197 . . . . 1.0 114.301 -172.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -133.04 131.1 40.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.891 2.476 . . . . 1.0 111.558 172.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 135.91 49.3 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.544 1.538 . . . . 1.0 113.031 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.17 140.45 50.76 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.212 1.805 . . . . 1.0 111.204 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -123.76 123.43 40.48 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.162 1.785 . . . . 1.0 113.525 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.03 119.1 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 129.704 3.202 . . . . 1.0 111.074 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.66 107.23 5.79 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.162 1.912 . . . . 1.0 116.162 173.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -77.9 -35.44 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 120.687 -1.258 . . . . 1.0 112.044 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -65.27 -37.41 87.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.152 1.381 . . . . 1.0 111.4 171.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.16 -47.94 9.64 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.27 0.841 . . . . 1.0 113.27 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.29 -8.6 26.03 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.641 1.719 . . . . 1.0 115.641 172.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.3 58.01 3.03 Favored Glycine 0 N--CA 1.484 1.891 0 C-N-CA 127.343 2.401 . . . . 1.0 115.004 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.1 mt -136.02 156.23 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 129.585 3.154 . . . . 1.0 111.994 -171.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 t -131.35 170.07 15.14 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.631 2.772 . . . . 1.0 112.79 -177.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -59.63 -30.0 68.41 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.308 -1.495 . . . . 1.0 114.015 172.433 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -57.13 -51.67 68.36 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.994 1.27 . . . . 1.0 111.508 171.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -57.14 -48.99 77.3 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.258 2.223 . . . . 1.0 112.099 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -66.56 -16.55 64.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.831 1.652 . . . . 1.0 114.868 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.18 -47.71 9.85 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.253 1.421 . . . . 1.0 108.254 171.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -57.34 -66.12 0.51 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 128.756 2.822 . . . . 1.0 113.554 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -53.04 -15.21 0.75 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 126.747 2.019 . . . . 1.0 115.708 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.67 -21.27 11.33 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.826 2.85 . . . . 1.0 117.144 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.94 2.31 12.28 Favored Glycine 0 CA--C 1.55 2.264 0 C-N-CA 124.997 1.284 . . . . 1.0 115.116 -171.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -85.29 125.87 68.75 Favored Pre-proline 0 N--CA 1.488 1.428 0 C-N-CA 130.419 3.488 . . . . 1.0 110.707 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -78.5 64.92 8.62 Favored 'Trans proline' 0 CA--C 1.552 1.399 0 C-N-CA 123.822 3.015 . . . . 1.0 112.63 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.417 HG13 HE22 ' A' ' 61' ' ' GLN . 3.2 m -73.55 150.65 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 124.862 1.265 . . . . 1.0 113.888 -179.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -130.05 -37.13 1.5 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 127.265 2.226 . . . . 1.0 112.964 172.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . 0.303 19.5 p -130.69 -178.29 4.73 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 127.089 2.156 . . . . 1.0 115.008 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.83 161.7 37.87 Favored Pre-proline 0 N--CA 1.493 1.706 0 C-N-CA 126.924 2.09 . . . . 1.0 112.573 175.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.04 168.22 60.11 Favored 'Cis proline' 0 CA--C 1.553 1.438 0 N-CA-C 115.654 1.367 . . . . 1.0 115.654 0.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.417 HE22 HG13 ' A' ' 56' ' ' VAL . 83.4 mm-40 -137.87 72.05 1.41 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.598 2.359 . . . . 1.0 111.844 -173.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.9 mt -113.95 151.62 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 127.386 2.274 . . . . 1.0 114.573 176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -119.83 118.26 30.32 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.152 2.181 . . . . 1.0 107.928 175.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.6 t -104.56 126.91 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 124.909 1.284 . . . . 1.0 109.055 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 44.54 53.42 7.08 Favored 'General case' 0 CA--C 1.572 1.816 0 C-N-CA 127.762 2.425 . . . . 1.0 110.916 -171.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.15 10.55 0.63 Allowed 'General case' 0 CA--C 1.566 1.585 1 C-N-CA 132.269 4.228 . . . . 1.0 116.205 -171.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -104.87 114.83 29.27 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 128.247 2.619 . . . . 1.0 110.552 -175.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.96 107.82 1.99 Allowed 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.673 -1.267 . . . . 1.0 112.149 -174.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.5 mm -97.01 173.85 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.008 1 C-N-CA 132.773 4.429 . . . . 1.0 108.877 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.63 -71.75 1.01 Allowed Glycine 0 CA--C 1.536 1.4 0 O-C-N 118.859 -2.401 . . . . 1.0 109.629 171.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.08 -131.99 5.66 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 127.007 2.241 . . . . 1.0 109.314 -171.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -32.3 -53.44 0.3 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.86 2.464 . . . . 1.0 114.887 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -60.9 -55.67 30.29 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 115.017 1.488 . . . . 1.0 115.017 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -69.75 -51.4 34.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 129.07 2.948 . . . . 1.0 112.585 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -51.05 -45.32 61.31 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 130.38 3.472 . . . . 1.0 112.978 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.95 -50.79 72.18 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.478 1.511 . . . . 1.0 112.529 171.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.41 96.7 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 125.488 1.515 . . . . 1.0 113.778 172.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -56.71 -53.27 59.65 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 128.073 2.549 . . . . 1.0 112.049 171.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.0 t -52.04 -50.12 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 125.664 1.586 . . . . 1.0 111.118 171.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -56.94 -48.06 79.2 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.619 1.168 . . . . 1.0 113.48 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -12.93 7.14 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 127.009 2.123 . . . . 1.0 116.156 171.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -99.73 -57.88 2.04 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 127.733 2.413 . . . . 1.0 112.305 171.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.8 mt -81.76 -55.8 4.4 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 127.816 2.447 . . . . 1.0 114.925 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -71.48 1.86 5.85 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.385 1.474 . . . . 1.0 114.977 172.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 C-N-CA 130.377 3.471 . . . . 1.0 117.077 -172.048 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 106.663 -1.606 . . . . 1.0 106.663 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 11.5 p -159.58 146.9 16.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.317 2.247 . . . . 1.0 114.085 -173.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 149.86 -7.76 0.8 Allowed Glycine 0 N--CA 1.477 1.402 0 N-CA-C 119.335 2.494 . . . . 1.0 119.335 171.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.24 21.15 2.94 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 116.629 2.085 . . . . 1.0 116.629 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.03 129.89 38.75 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 128.346 2.658 . . . . 1.0 114.216 -172.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt 176.56 119.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 130.457 3.503 . . . . 1.0 110.248 -172.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.33 7.9 tp . . . . . 0 N--CA 1.497 1.901 0 C-N-CA 127.328 2.251 . . . . 1.0 114.053 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.529 0.204 . . . . 1.0 111.288 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -118.6 115.68 25.06 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.334 2.254 . . . . 1.0 112.368 172.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 94.6 m -110.53 116.86 32.12 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.387 1.875 . . . . 1.0 109.889 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.95 121.27 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 128.068 2.547 . . . . 1.0 109.329 -172.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mp -109.01 136.22 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.852 1.661 . . . . 1.0 111.718 -172.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -116.07 111.53 20.43 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.825 1.25 . . . . 1.0 112.372 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.5 24.19 26.77 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 121.83 3.492 . . . . 1.0 121.83 172.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -52.1 -51.65 56.4 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.929 2.092 . . . . 1.0 114.162 -172.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.8 m -63.81 -0.19 0.99 Allowed 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 116.159 1.911 . . . . 1.0 116.159 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.24 -13.31 39.46 Favored Glycine 0 CA--C 1.544 1.859 0 N-CA-C 117.831 1.892 . . . . 1.0 117.831 174.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 12.3 p -167.4 139.48 2.65 Favored Pre-proline 0 CA--C 1.563 1.446 0 N-CA-C 116.994 2.22 . . . . 1.0 116.994 -172.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.11 -33.22 32.2 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 125.15 3.9 . . . . 1.0 115.672 -172.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -66.13 -38.92 89.34 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 120.34 1.427 . . . . 1.0 111.42 172.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 4.6 t -59.09 -40.23 84.65 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.806 1.242 . . . . 1.0 111.678 171.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.77 -52.4 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 116.133 -1.889 . . . . 1.0 111.085 171.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -59.59 -42.09 91.76 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 120.537 1.517 . . . . 1.0 112.517 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.81 88.08 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.219 1.408 . . . . 1.0 113.806 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.447 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -63.66 -54.41 36.09 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.284 1.433 . . . . 1.0 112.04 172.04 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.07 -38.15 36.95 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.319 2.647 . . . . 1.0 113.079 175.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.58 -51.82 68.18 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 126.411 1.885 . . . . 1.0 112.221 171.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.57 97.84 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.549 1.14 . . . . 1.0 113.606 172.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.82 -45.47 89.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.683 1.593 . . . . 1.0 112.894 172.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -55.12 -50.09 70.1 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 128.32 2.648 . . . . 1.0 112.293 171.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.74 -53.21 60.65 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.953 2.101 . . . . 1.0 112.47 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 t -58.81 -34.99 72.15 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.983 1.713 . . . . 1.0 114.28 173.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -43.91 81.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.207 2.203 . . . . 1.0 112.784 171.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -66.92 -50.68 61.63 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.927 2.091 . . . . 1.0 111.924 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.335 18.1 mtm105 -91.93 -165.65 1.39 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 116.073 1.879 . . . . 1.0 116.073 -171.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -128.56 -5.07 5.29 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.943 2.497 . . . . 1.0 117.36 -171.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -134.0 -15.4 2.31 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 119.093 2.997 . . . . 1.0 119.093 -170.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -97.42 115.09 27.09 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.4 3.08 . . . . 1.0 110.875 -170.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -98.72 132.53 44.03 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 131.088 3.755 . . . . 1.0 113.165 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.06 135.65 54.5 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 127.722 2.409 . . . . 1.0 113.989 -175.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -133.2 149.3 52.03 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 127.663 2.385 . . . . 1.0 113.254 175.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -126.22 123.54 38.41 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.864 1.666 . . . . 1.0 112.868 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -112.87 120.52 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 130.342 3.457 . . . . 1.0 111.343 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.52 86.94 7.35 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 119.594 -1.941 . . . . 1.0 112.497 -173.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -72.15 -39.94 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 119.515 -1.991 . . . . 1.0 110.687 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -7.86 53.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 128.076 2.55 . . . . 1.0 113.638 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.39 -41.31 2.85 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.826 1.417 . . . . 1.0 114.826 172.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -66.23 -24.04 66.53 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.783 1.633 . . . . 1.0 114.734 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.58 29.71 2.61 Favored Glycine 0 N--CA 1.484 1.849 0 N-CA-C 117.721 1.848 . . . . 1.0 117.721 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.4 mt -118.39 159.95 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 128.877 2.871 . . . . 1.0 112.359 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 t -133.95 165.26 25.43 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 127.261 2.224 . . . . 1.0 115.022 -171.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HE2' ' OE2' ' A' ' 46' ' ' GLU 0.263 0.1 OUTLIER -58.85 -25.49 63.31 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.981 1.312 . . . . 1.0 114.43 172.05 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' OE2' ' HE2' ' A' ' 45' ' ' LYS . 8.6 mp0 -61.64 -49.64 75.74 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.644 1.577 . . . . 1.0 110.656 171.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.3 -39.44 86.95 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 127.308 2.243 . . . . 1.0 113.891 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -73.77 -49.55 24.9 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 128.057 2.543 . . . . 1.0 113.195 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -50.55 -32.63 19.02 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 121.352 1.887 . . . . 1.0 113.776 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -71.73 -67.17 0.55 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.014 2.126 . . . . 1.0 113.455 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -60.52 -13.66 15.19 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 126.5 1.92 . . . . 1.0 115.666 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.79 -22.7 16.79 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 129.377 3.071 . . . . 1.0 116.544 171.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.11 -31.49 0.94 Allowed Glycine 0 CA--C 1.548 2.12 0 C-N-CA 125.937 1.732 . . . . 1.0 113.554 -171.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -53.77 120.57 23.82 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 131.567 3.947 . . . . 1.0 111.871 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -76.34 68.72 6.75 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.772 2.981 . . . . 1.0 112.301 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.515 ' CG1' HE22 ' A' ' 61' ' ' GLN . 3.3 m -79.92 156.71 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 124.992 1.317 . . . . 1.0 113.788 -175.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -138.52 -40.76 0.5 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 127.234 2.213 . . . . 1.0 112.052 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 47.6 p -109.99 -179.06 3.69 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.926 2.49 . . . . 1.0 113.528 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.42 158.31 38.93 Favored Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 125.679 1.592 . . . . 1.0 110.032 171.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.18 169.71 73.05 Favored 'Cis proline' 0 CA--C 1.545 1.032 0 N-CA-C 115.124 1.163 . . . . 1.0 115.124 4.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.515 HE22 ' CG1' ' A' ' 56' ' ' VAL . 97.0 mm-40 -135.44 67.98 1.47 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 128.306 2.642 . . . . 1.0 110.714 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.5 mt -99.51 151.43 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 126.554 1.941 . . . . 1.0 113.95 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -123.32 117.76 25.99 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.821 2.448 . . . . 1.0 109.234 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.5 t -107.22 128.11 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 125.164 1.386 . . . . 1.0 108.818 175.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 47.19 45.75 16.35 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 127.619 2.368 . . . . 1.0 112.048 -171.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.267 2.0 tm0? 70.64 9.06 6.79 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 130.764 3.626 . . . . 1.0 117.377 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -121.82 151.65 40.38 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.475 1.91 . . . . 1.0 112.133 172.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -73.84 107.76 6.26 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.319 1.97 . . . . 1.0 116.319 -171.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.6 mm -108.9 102.03 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 128.762 2.825 . . . . 1.0 103.996 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -18.62 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.481 1.678 0 C-N-CA 127.453 2.454 . . . . 1.0 116.09 -171.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.55 -137.72 8.72 Favored Glycine 0 C--O 1.219 -0.81 0 C-N-CA 127.574 2.512 . . . . 1.0 107.856 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -33.62 -54.84 0.45 Allowed 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 127.505 2.322 . . . . 1.0 111.225 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.429 HG21 ' H ' ' A' ' 74' ' ' ASP . 1.6 t -50.28 -61.29 2.26 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 128.72 2.808 . . . . 1.0 116.719 171.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.429 ' H ' HG21 ' A' ' 73' ' ' THR . 1.3 t0 -70.14 -44.61 68.54 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.083 2.553 . . . . 1.0 113.384 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.33 -52.73 64.18 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 130.705 3.602 . . . . 1.0 113.273 173.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.62 -46.89 80.67 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.573 1.549 . . . . 1.0 112.681 172.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.89 98.03 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.235 1.014 . . . . 1.0 113.182 172.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -59.95 -53.59 56.03 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.96 1.704 . . . . 1.0 112.221 172.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -51.89 -50.97 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 127.413 2.285 . . . . 1.0 111.445 172.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -56.68 -56.74 17.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.269 1.428 . . . . 1.0 112.627 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -13.25 3.4 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 127.016 2.126 . . . . 1.0 115.022 173.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -100.0 -60.01 1.61 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.479 1.912 . . . . 1.0 114.526 171.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.12 -60.02 2.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.837 2.855 . . . . 1.0 113.179 -173.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -72.73 -14.89 61.65 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 115.256 1.576 . . . . 1.0 115.256 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.322 0 C-N-CA 131.524 3.929 . . . . 1.0 115.468 176.587 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . 0.264 4.2 pt-20 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 123.0 1.381 . . . . 1.0 113.14 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.11 143.89 42.77 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.78 1.632 . . . . 1.0 115.358 174.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 158.83 -14.3 0.23 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 127.306 2.384 . . . . 1.0 116.919 171.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 52.91 19.65 1.39 Allowed 'General case' 0 CA--C 1.57 1.726 0 C-N-CA 127.573 2.349 . . . . 1.0 114.681 177.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 11.3 t -73.71 135.25 43.64 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 131.522 3.929 . . . . 1.0 115.647 -171.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt 177.31 163.43 0.53 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 131.106 3.762 . . . . 1.0 110.778 -171.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.491 1.609 0 C-N-CA 124.296 1.039 . . . . 1.0 113.019 171.63 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 121.964 0.887 . . . . 1.0 111.583 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.4 HE22 ' HB2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -119.07 121.53 40.04 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.907 2.083 . . . . 1.0 111.311 174.024 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 m -117.98 113.5 21.77 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 125.972 1.709 . . . . 1.0 111.351 -172.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 t -110.53 135.88 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 126.764 2.025 . . . . 1.0 112.094 -171.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mt -118.03 123.26 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 128.063 2.545 . . . . 1.0 111.117 -171.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -112.32 103.44 11.57 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.782 2.033 . . . . 1.0 111.739 -173.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.67 72.99 1.13 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.352 1.929 . . . . 1.0 117.244 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -83.62 -46.29 12.52 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.93 1.292 . . . . 1.0 112.583 171.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -63.86 87.37 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 130.375 3.47 . . . . 1.0 112.324 -171.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.41 -13.25 6.26 Favored Glycine 0 CA--C 1.543 1.82 0 C-N-CA 126.543 2.02 . . . . 1.0 117.478 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 11.6 p -135.2 119.76 13.52 Favored Pre-proline 0 CA--C 1.554 1.132 0 CA-C-N 120.396 2.098 . . . . 1.0 116.013 172.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -68.6 -26.05 34.01 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 123.961 3.107 . . . . 1.0 114.593 -171.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -68.53 -38.72 81.1 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.701 0.8 . . . . 1.0 112.84 172.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.441 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 3.3 t -60.22 -41.29 92.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.72 1.208 . . . . 1.0 110.547 171.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.8 -50.7 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-O 116.168 -1.872 . . . . 1.0 111.019 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -49.24 -42.28 40.18 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 121.78 2.082 . . . . 1.0 112.116 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.2 83.65 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 126.221 1.808 . . . . 1.0 114.503 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -55.51 33.71 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 127.46 2.304 . . . . 1.0 111.798 171.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -52.34 -44.35 65.12 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.533 2.733 . . . . 1.0 112.31 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.26 -50.17 72.79 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.957 1.703 . . . . 1.0 113.709 172.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.76 -45.03 74.16 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.036 0.934 . . . . 1.0 111.871 172.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.71 -44.2 96.87 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.477 1.911 . . . . 1.0 112.47 171.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -53.54 -50.86 64.6 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 128.195 2.598 . . . . 1.0 110.85 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.65 -47.14 87.57 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.85 2.06 . . . . 1.0 113.977 171.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.1 -48.56 70.59 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.58 1.552 . . . . 1.0 113.568 175.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -66.63 -45.3 79.5 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 129.614 3.166 . . . . 1.0 113.63 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -64.82 -35.02 79.77 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.889 1.675 . . . . 1.0 113.044 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.299 10.1 mtm105 -108.59 -177.73 3.4 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.871 2.069 . . . . 1.0 113.407 -178.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -113.3 -28.88 7.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 129.057 2.943 . . . . 1.0 116.365 -170.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.63 -15.15 15.37 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 116.851 2.167 . . . . 1.0 116.851 -171.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.38 123.97 41.39 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 129.752 3.221 . . . . 1.0 110.503 -171.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -123.57 131.65 53.68 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.744 2.018 . . . . 1.0 111.827 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -108.71 136.26 48.58 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 127.05 2.14 . . . . 1.0 113.881 -172.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.4 ' HB2' HE22 ' A' ' 2' ' ' GLN . 0.0 OUTLIER -129.68 133.74 47.25 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.42 1.488 . . . . 1.0 111.415 -173.746 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -115.66 123.9 49.53 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.694 1.997 . . . . 1.0 114.931 -176.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -126.47 115.71 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 129.274 3.03 . . . . 1.0 112.934 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.431 0.0 OUTLIER -78.06 88.87 4.18 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 115.787 1.773 . . . . 1.0 115.787 171.253 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.25 -38.05 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.522 1.529 . . . . 1.0 110.234 171.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -9.64 57.31 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 129.506 3.122 . . . . 1.0 114.413 174.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.31 -45.14 2.23 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 114.1 1.148 . . . . 1.0 114.1 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -63.22 -31.65 72.85 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 127.979 2.511 . . . . 1.0 114.056 172.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.98 63.12 0.68 Allowed Glycine 0 N--CA 1.484 1.891 0 C-N-CA 126.4 1.952 . . . . 1.0 114.168 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.2 mp -143.72 159.15 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 129.492 3.117 . . . . 1.0 108.709 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -150.29 169.94 20.18 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.668 1.187 . . . . 1.0 114.148 -171.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -33.41 22.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.898 2.479 . . . . 1.0 114.288 171.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -59.94 -32.64 70.98 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.974 1.709 . . . . 1.0 111.868 171.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.61 -57.39 3.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.804 2.042 . . . . 1.0 111.346 172.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.2 mt -54.93 -38.45 67.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.441 1.896 . . . . 1.0 112.995 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -64.3 -45.94 85.79 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.5 1.52 . . . . 1.0 112.704 171.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -61.56 -40.45 94.76 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.911 1.684 . . . . 1.0 111.891 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -64.7 -48.01 76.27 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 126.708 2.003 . . . . 1.0 112.406 171.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.85 -22.98 58.37 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.742 2.417 . . . . 1.0 116.996 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.54 -33.04 1.61 Allowed Glycine 0 CA--C 1.545 1.919 0 C-N-CA 125.496 1.522 . . . . 1.0 112.953 -171.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HE3' HG13 ' A' ' 56' ' ' VAL . 38.1 tttp -68.19 118.39 58.51 Favored Pre-proline 0 N--CA 1.482 1.165 0 C-N-CA 128.524 2.73 . . . . 1.0 108.615 171.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.09 56.86 0.05 OUTLIER 'Trans proline' 0 CA--C 1.557 1.668 1 C-N-CA 126.04 4.493 . . . . 1.0 115.959 173.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.407 HG13 ' HE3' ' A' ' 54' ' ' LYS . 17.1 m -58.53 143.64 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 O-C-N 120.269 -1.519 . . . . 1.0 113.475 -172.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -125.73 -47.93 1.67 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.422 1.089 . . . . 1.0 112.497 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -105.3 -179.63 4.0 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 128.667 2.787 . . . . 1.0 113.489 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.15 161.73 32.29 Favored Pre-proline 0 N--CA 1.487 1.393 0 C-N-CA 126.877 2.071 . . . . 1.0 110.547 172.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -74.61 169.46 74.15 Favored 'Cis proline' 0 CA--C 1.55 1.306 0 N-CA-C 115.491 1.304 . . . . 1.0 115.491 4.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -140.5 80.4 1.75 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.385 2.274 . . . . 1.0 112.49 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.7 mt -113.37 151.85 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 128.228 2.611 . . . . 1.0 115.294 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -129.14 111.62 13.12 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 129.114 2.965 . . . . 1.0 110.316 176.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.9 t -94.81 133.14 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 126.02 1.728 . . . . 1.0 109.433 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 39.96 56.72 2.44 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 129.319 3.048 . . . . 1.0 110.585 -171.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.287 1.5 pt20 54.0 13.47 0.57 Allowed 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 129.792 3.237 . . . . 1.0 119.311 -172.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -124.29 147.22 48.28 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 121.6 2.0 . . . . 1.0 113.423 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -60.83 124.46 20.51 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.949 1.463 . . . . 1.0 114.949 -171.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -138.1 96.98 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 129.117 2.967 . . . . 1.0 104.666 171.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -16.99 -59.01 0.01 OUTLIER Glycine 0 N--CA 1.479 1.559 0 C-N-CA 127.881 2.658 . . . . 1.0 117.837 -172.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.59 -139.56 11.05 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 126.931 2.205 . . . . 1.0 110.707 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -32.89 -55.07 0.38 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.384 2.274 . . . . 1.0 114.933 -177.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 t -53.93 -61.84 2.04 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 125.934 1.694 . . . . 1.0 114.108 171.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.88 -57.83 4.58 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 129.953 3.301 . . . . 1.0 111.968 -174.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -47.7 -44.97 28.07 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 129.181 2.993 . . . . 1.0 113.734 172.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.74 -50.69 72.97 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.331 0.969 . . . . 1.0 112.178 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.04 92.4 Favored 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 124.552 1.141 . . . . 1.0 113.73 173.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -57.26 -52.98 63.14 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 129.357 3.063 . . . . 1.0 112.567 172.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.48 -46.56 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 127.11 2.164 . . . . 1.0 111.163 171.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -58.31 -36.0 72.69 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.163 1.347 . . . . 1.0 114.101 175.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -56.67 -15.95 5.42 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 120.019 1.281 . . . . 1.0 113.161 170.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -99.86 -59.86 1.64 Allowed 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 129.297 3.039 . . . . 1.0 113.397 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.7 mt -78.92 -29.34 44.1 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 127.793 2.437 . . . . 1.0 116.6 -172.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.45 6.88 37.88 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 128.999 2.919 . . . . 1.0 113.19 172.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.185 0 C-N-CA 129.803 3.241 . . . . 1.0 116.83 -171.516 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 123.532 1.634 . . . . 1.0 113.217 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 45.2 t -141.57 151.87 43.57 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.126 2.171 . . . . 1.0 114.863 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 149.89 -10.05 0.89 Allowed Glycine 0 CA--C 1.54 1.608 0 C-N-CA 128.041 2.734 . . . . 1.0 117.396 171.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.23 22.29 2.61 Favored 'General case' 0 CA--C 1.572 1.826 0 C-N-CA 126.862 2.065 . . . . 1.0 115.813 171.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 6.5 t -73.4 142.3 46.96 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 131.179 3.792 . . . . 1.0 116.811 -171.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt 177.16 166.71 0.57 Allowed 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 129.857 3.263 . . . . 1.0 114.211 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.6 tp . . . . . 0 N--CA 1.498 1.931 0 C-N-CA 129.913 3.285 . . . . 1.0 114.542 172.359 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.431 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 94.0 mmm . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 118.89 -0.576 . . . . 1.0 110.165 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.33 120.89 38.97 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 126.491 1.917 . . . . 1.0 112.354 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.6 m -120.7 115.18 22.84 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 125.636 1.575 . . . . 1.0 110.162 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.4 t -111.47 132.21 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.418 2.287 . . . . 1.0 111.706 -171.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.52 126.33 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 126.803 2.041 . . . . 1.0 112.255 -171.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -104.72 97.03 6.98 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.191 1.796 . . . . 1.0 113.162 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.99 68.44 1.29 Allowed Glycine 0 CA--C 1.539 1.573 0 C-N-CA 127.343 2.401 . . . . 1.0 118.787 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 25.3 ttt180 -67.55 -60.08 2.84 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 128.095 2.558 . . . . 1.0 109.86 171.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -65.49 72.63 0.05 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.47 2.708 . . . . 1.0 112.202 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.85 -23.89 0.04 OUTLIER Glycine 0 CA--C 1.538 1.49 0 N-CA-C 117.559 1.784 . . . . 1.0 117.559 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.4 p -164.66 144.96 6.19 Favored Pre-proline 0 CA--C 1.553 1.095 0 CA-C-N 119.707 1.754 . . . . 1.0 115.242 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -64.43 -36.82 42.2 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 123.561 2.841 . . . . 1.0 114.579 -172.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . 0.262 7.2 m-30 -68.15 -38.49 82.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 119.115 0.871 . . . . 1.0 112.645 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.461 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.6 t -62.3 -42.9 99.75 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.071 0.949 . . . . 1.0 111.435 171.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.29 -51.62 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-O 118.18 -0.914 . . . . 1.0 110.274 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -54.45 -41.93 70.0 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.695 1.198 . . . . 1.0 111.906 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.98 -46.6 90.07 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 126.026 1.73 . . . . 1.0 113.269 172.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -54.58 45.34 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.248 1.819 . . . . 1.0 112.222 172.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -43.22 63.36 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 128.121 2.568 . . . . 1.0 112.937 176.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -54.3 -48.92 70.74 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.643 1.177 . . . . 1.0 113.298 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.15 91.31 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.825 1.25 . . . . 1.0 113.591 172.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -57.96 -45.27 86.95 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.53 1.532 . . . . 1.0 113.472 172.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.76 -45.03 78.15 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 129.573 3.149 . . . . 1.0 112.586 172.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.9 -43.71 87.41 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.218 1.807 . . . . 1.0 111.29 171.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -57.36 -35.84 70.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.69 1.596 . . . . 1.0 113.658 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -66.3 -47.76 72.55 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.536 2.335 . . . . 1.0 110.705 171.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -63.43 -30.24 71.4 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.436 2.694 . . . . 1.0 113.669 -176.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -133.76 -175.11 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 116.334 1.976 . . . . 1.0 116.334 -172.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -122.02 -27.47 4.58 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 129.957 3.303 . . . . 1.0 115.394 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -68.81 -32.27 71.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 130.756 3.622 . . . . 1.0 116.076 172.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -98.03 102.85 14.72 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.105 2.962 . . . . 1.0 115.423 -171.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -99.3 132.31 44.71 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 128.867 2.867 . . . . 1.0 111.541 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.26 136.39 53.15 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.857 2.463 . . . . 1.0 112.762 -173.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -129.93 133.46 46.85 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.713 -1.242 . . . . 1.0 112.109 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 9.0 t80 -111.11 123.62 50.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.208 1.403 . . . . 1.0 112.531 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 t -124.13 118.57 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 128.209 2.603 . . . . 1.0 110.593 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.309 0.0 OUTLIER -63.97 150.41 45.2 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.296 -1.502 . . . . 1.0 114.007 171.323 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.276 2.0 pp -122.21 -45.11 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.831 1.252 . . . . 1.0 111.592 172.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HA ' ' HA ' ' B' ' 150' ' ' ILE . 13.4 ttm180 -63.14 -41.67 99.34 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.947 1.299 . . . . 1.0 112.432 174.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.2 -55.64 11.56 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.272 0.942 . . . . 1.0 111.34 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.41 -11.42 22.91 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 130.132 3.373 . . . . 1.0 115.453 -172.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.08 16.72 68.93 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 126.393 1.949 . . . . 1.0 115.537 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mt -99.95 159.25 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 128.449 2.699 . . . . 1.0 110.095 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -148.77 169.03 21.37 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 -171.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.3 0.1 OUTLIER -57.25 -25.17 58.74 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.714 1.206 . . . . 1.0 114.232 173.393 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -68.17 -38.0 81.59 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 127.067 2.147 . . . . 1.0 112.079 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.32 -55.14 9.9 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 127.925 2.49 . . . . 1.0 111.28 171.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.0 mt -54.17 -47.3 72.16 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.176 2.191 . . . . 1.0 113.492 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -59.29 -38.95 81.46 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.352 1.242 . . . . 1.0 114.352 176.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.72 -58.11 8.61 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.973 1.309 . . . . 1.0 111.496 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -50.29 -47.72 55.37 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.083 1.753 . . . . 1.0 114.126 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.02 -23.77 66.62 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.313 1.845 . . . . 1.0 115.757 174.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.64 -1.55 85.61 Favored Glycine 0 CA--C 1.547 2.091 0 C-N-CA 126.92 2.2 . . . . 1.0 117.152 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -126.97 127.11 24.44 Favored Pre-proline 0 N--CA 1.482 1.125 0 C-N-CA 129.672 3.189 . . . . 1.0 111.046 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -56.98 107.38 0.28 Allowed 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.479 3.453 . . . . 1.0 111.792 171.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.1 m -96.88 151.38 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.308 1.443 . . . . 1.0 110.815 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.6 -40.53 3.57 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.242 1.417 . . . . 1.0 114.277 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.1 p -139.13 -178.32 5.3 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.27 1.828 . . . . 1.0 112.97 -172.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.37 153.38 65.54 Favored Pre-proline 0 N--CA 1.484 1.23 0 C-N-CA 126.659 1.984 . . . . 1.0 111.505 171.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.76 163.55 87.78 Favored 'Cis proline' 0 CA--C 1.545 1.055 0 N-CA-C 115.253 1.213 . . . . 1.0 115.253 7.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -136.06 72.56 1.44 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.718 2.007 . . . . 1.0 111.847 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 84.9 mt -108.93 152.15 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 129.065 2.946 . . . . 1.0 114.43 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -125.59 139.42 53.6 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.997 2.519 . . . . 1.0 109.288 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 t -121.55 135.37 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 126.954 2.101 . . . . 1.0 109.503 172.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.431 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.31 0.1 OUTLIER 35.82 53.23 0.85 Allowed 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 128.205 2.602 . . . . 1.0 114.646 -172.416 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 69.1 4.2 4.44 Favored 'General case' 0 CA--C 1.568 1.641 1 C-N-CA 133.284 4.634 . . . . 1.0 115.953 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -103.33 140.38 37.5 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 128.437 2.695 . . . . 1.0 111.157 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -60.78 127.93 34.07 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.554 -1.341 . . . . 1.0 110.518 172.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.8 mm -140.34 98.01 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 129.267 3.027 . . . . 1.0 106.374 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -12.56 -64.25 0.01 OUTLIER Glycine 0 N--CA 1.48 1.599 0 C-N-CA 127.775 2.607 . . . . 1.0 116.496 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.78 -135.4 7.92 Favored Glycine 0 C--O 1.22 -0.742 0 C-N-CA 127.266 2.365 . . . . 1.0 110.068 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -33.25 -47.86 0.21 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.78 2.032 . . . . 1.0 114.468 -173.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.2 t -62.41 -61.94 2.1 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 127.559 2.344 . . . . 1.0 115.557 171.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -51.26 65.12 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.984 2.114 . . . . 1.0 112.421 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -53.96 -48.39 70.35 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 129.267 3.027 . . . . 1.0 113.625 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.08 67.07 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 120.282 1.401 . . . . 1.0 111.895 172.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.78 -41.45 77.7 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.059 1.344 . . . . 1.0 114.378 173.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -63.65 -53.55 49.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.108 2.963 . . . . 1.0 112.974 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.0 -49.45 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.326 1.85 . . . . 1.0 111.04 172.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -54.03 -46.15 71.79 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.567 2.347 . . . . 1.0 113.371 172.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.91 -13.82 18.32 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 126.564 1.945 . . . . 1.0 114.358 171.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -101.01 -59.53 1.68 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 126.206 1.803 . . . . 1.0 114.445 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.62 -29.81 33.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 127.619 2.367 . . . . 1.0 116.212 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.84 -1.93 18.83 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 127.648 2.379 . . . . 1.0 113.214 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.346 0 C-N-CA 131.28 3.832 . . . . 1.0 114.497 -178.922 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.467 ' H2 ' ' CD ' ' B' ' 128' ' ' GLU . . . . . . . . 0 N--CA 1.473 1.163 0 N-CA-C 107.843 -2.103 . . . . 1.0 107.843 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.05 107.66 6.54 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.612 1.965 . . . . 1.0 106.442 170.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.467 ' CD ' ' H2 ' ' B' ' 126' ' ' GLY . 24.1 mp0 -137.31 170.13 16.61 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.183 1.793 . . . . 1.0 113.488 -171.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -132.34 140.57 48.6 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.835 2.054 . . . . 1.0 111.714 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.4 115.92 29.51 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.921 1.689 . . . . 1.0 111.258 -175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -126.3 140.35 52.58 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.42 1.488 . . . . 1.0 114.981 -175.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -105.26 112.03 25.0 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 127.444 2.297 . . . . 1.0 113.029 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.94 146.19 55.31 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 125.482 1.513 . . . . 1.0 112.016 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.98 98.12 5.8 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.015 1.326 . . . . 1.0 112.96 176.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.2 p -75.82 -37.58 2.29 Favored Pre-proline 0 N--CA 1.484 1.243 0 CA-C-O 116.714 -1.612 . . . . 1.0 115.155 172.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -78.57 166.93 23.36 Favored 'Trans proline' 0 C--N 1.362 1.266 0 C-N-CA 122.803 2.335 . . . . 1.0 113.624 173.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 8.6 t -92.12 169.65 10.46 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.575 1.55 . . . . 1.0 112.351 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 5.6 tp -78.36 -2.86 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 126.062 1.745 . . . . 1.0 114.934 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -14.52 118.82 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 130.805 3.642 . . . . 1.0 115.039 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -97.5 97.34 9.0 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.174 -0.954 . . . . 1.0 111.135 -171.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -156.3 4.93 0.17 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 120.586 3.551 . . . . 1.0 120.586 -171.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 137.05 22.54 0.51 Allowed Glycine 0 N--CA 1.485 1.934 1 N-CA-C 126.05 5.18 . . . . 1.0 126.05 171.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 15.8 p -47.92 111.13 0.39 Allowed 'General case' 0 N--CA 1.501 2.08 1 CA-C-N 124.451 4.126 . . . . 1.0 113.459 171.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -76.04 -9.39 58.58 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 119.459 3.133 . . . . 1.0 119.459 -171.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.1 t -128.06 -178.23 4.45 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.349 1.611 . . . . 1.0 115.349 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 160.74 0.07 0.07 OUTLIER Glycine 0 N--CA 1.486 2.033 0 N-CA-C 118.201 2.04 . . . . 1.0 118.201 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.76 18.58 2.18 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 129.417 3.087 . . . . 1.0 117.64 172.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 36.4 t -73.46 146.83 44.68 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.887 2.475 . . . . 1.0 114.224 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt 177.06 179.15 0.23 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 127.745 2.418 . . . . 1.0 114.021 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 5.8 tp . . . . . 0 N--CA 1.488 1.443 1 C-N-CA 131.885 4.074 . . . . 1.0 115.468 171.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 116.834 -1.555 . . . . 1.0 108.347 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.21 118.59 32.25 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 117.679 2.474 . . . . 1.0 117.679 -170.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.8 m -119.59 121.0 38.35 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 126.109 1.763 . . . . 1.0 113.029 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.48 124.33 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 127.656 2.383 . . . . 1.0 111.291 -173.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -113.19 121.34 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 C-N-CA 125.641 1.576 . . . . 1.0 112.687 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -99.91 111.12 23.44 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.087 1.755 . . . . 1.0 113.634 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.04 54.7 3.12 Favored Glycine 0 CA--C 1.54 1.605 0 N-CA-C 119.53 2.572 . . . . 1.0 119.53 169.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -65.32 -54.44 29.06 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 119.721 1.76 . . . . 1.0 113.325 171.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -62.39 92.49 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.319 2.648 . . . . 1.0 113.625 -169.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.46 -0.51 8.06 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 118.682 2.233 . . . . 1.0 118.682 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 p -141.37 116.91 7.2 Favored Pre-proline 0 CA--C 1.556 1.186 0 CA-C-N 120.509 2.155 . . . . 1.0 113.409 173.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -61.33 -27.74 83.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 124.451 3.434 . . . . 1.0 115.66 -169.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -68.67 -38.58 80.51 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.69 0.796 . . . . 1.0 111.456 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -68.99 -38.61 79.41 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.852 2.061 . . . . 1.0 113.201 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.7 t -53.25 -54.27 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.707 1.203 . . . . 1.0 111.626 170.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -57.54 -42.07 82.22 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.247 1.419 . . . . 1.0 111.469 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.58 69.23 Favored 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 115.161 1.541 . . . . 1.0 115.161 171.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -53.5 50.81 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.026 1.331 . . . . 1.0 113.315 173.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -52.92 -41.95 64.94 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.981 2.112 . . . . 1.0 112.597 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.25 -48.05 74.54 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.55 1.94 . . . . 1.0 113.883 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.54 95.8 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.893 1.277 . . . . 1.0 113.99 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.86 -41.85 96.7 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.313 1.445 . . . . 1.0 114.259 173.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -52.2 -52.17 53.79 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 128.923 2.889 . . . . 1.0 110.947 169.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.08 -48.66 80.68 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 126.507 1.923 . . . . 1.0 113.784 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t -56.5 -36.38 69.1 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.674 1.59 . . . . 1.0 114.76 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -42.42 75.09 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.398 2.279 . . . . 1.0 114.497 169.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -63.43 -26.24 68.64 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.464 1.906 . . . . 1.0 113.373 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -137.25 171.52 14.37 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 116.74 2.126 . . . . 1.0 116.74 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -112.11 -1.03 15.43 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 127.286 2.234 . . . . 1.0 115.39 171.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.8 p-10 -85.26 -32.91 22.31 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.75 2.02 . . . . 1.0 114.769 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -95.97 104.65 16.6 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 129.106 2.962 . . . . 1.0 112.734 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -95.8 133.16 40.26 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 130.278 3.431 . . . . 1.0 110.152 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 138.67 54.26 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.317 1.447 . . . . 1.0 114.474 -171.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -128.53 131.14 48.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.629 1.572 . . . . 1.0 111.823 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -109.2 126.64 53.49 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.648 1.579 . . . . 1.0 114.47 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.33 111.87 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 125.443 1.497 . . . . 1.0 112.761 174.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.291 0.0 OUTLIER -65.09 155.08 35.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 119.333 -2.104 . . . . 1.0 113.56 167.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.265 2.0 pp -110.92 -39.44 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 124.608 1.163 . . . . 1.0 111.584 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -70.51 -26.82 63.77 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.218 1.807 . . . . 1.0 113.863 170.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.26 -57.16 3.19 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.521 1.528 . . . . 1.0 112.506 173.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.29 -20.92 65.9 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 117.13 2.27 . . . . 1.0 117.13 175.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.3 51.21 4.22 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 125.353 1.454 . . . . 1.0 114.318 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mt -122.46 159.95 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 128.964 2.906 . . . . 1.0 110.676 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -151.88 166.17 32.27 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.47 1.508 . . . . 1.0 114.41 -174.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.409 ' HZ3' ' CD ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -37.51 -45.1 0.71 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 129.129 2.972 . . . . 1.0 115.528 170.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 -61.1 -44.43 97.36 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 128.557 2.743 . . . . 1.0 111.606 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -64.8 -54.93 23.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.222 2.209 . . . . 1.0 111.359 171.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt -57.37 -45.1 84.77 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.799 2.04 . . . . 1.0 113.556 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -64.49 -36.71 85.08 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 115.018 1.488 . . . . 1.0 115.018 174.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -66.32 -53.28 38.29 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.543 1.065 . . . . 1.0 111.683 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -53.98 -44.12 70.55 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.918 1.687 . . . . 1.0 114.209 171.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.17 -25.57 63.51 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 117.021 2.23 . . . . 1.0 117.021 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.93 -39.27 0.79 Allowed Glycine 0 CA--C 1.548 2.129 0 C-N-CA 126.006 1.765 . . . . 1.0 114.166 -168.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -63.12 125.9 87.91 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 128.732 2.813 . . . . 1.0 110.559 171.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -64.51 105.39 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 123.018 2.479 . . . . 1.0 110.714 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.3 m -100.69 144.33 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.384 1.474 . . . . 1.0 112.204 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' CD ' ' HZ3' ' A' ' 45' ' ' LYS . 21.9 mm-40 -114.35 -35.64 4.9 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.382 1.873 . . . . 1.0 114.283 176.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.0 p -139.17 -177.3 4.85 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.953 2.101 . . . . 1.0 112.844 -171.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.87 162.32 50.24 Favored Pre-proline 0 N--CA 1.49 1.574 0 C-N-CA 127.599 2.36 . . . . 1.0 111.583 169.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.19 164.91 85.75 Favored 'Cis proline' 0 CA--C 1.544 1.008 0 CA-C-N 120.574 1.241 . . . . 1.0 114.04 -0.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -139.81 80.38 1.77 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.022 2.129 . . . . 1.0 111.1 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.0 mt -110.41 144.52 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 126.715 2.006 . . . . 1.0 112.433 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -115.96 141.8 47.63 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.485 1.514 . . . . 1.0 108.863 170.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.4 t -125.31 129.69 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 C-N-CA 126.091 1.756 . . . . 1.0 110.033 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.35 0.2 OUTLIER 35.47 41.94 0.11 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 128.068 2.547 . . . . 1.0 114.602 -169.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 83.32 2.63 0.99 Allowed 'General case' 0 CA--C 1.557 1.248 1 C-N-CA 132.879 4.471 . . . . 1.0 115.562 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.5 140.43 29.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.891 2.077 . . . . 1.0 111.308 176.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -61.23 129.2 40.09 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.226 -0.922 . . . . 1.0 110.873 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.7 mm -126.73 170.89 16.02 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 C-N-CA 129.416 3.087 . . . . 1.0 108.607 170.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.26 -73.31 0.78 Allowed Glycine 0 CA--C 1.538 1.5 0 O-C-N 119.054 -2.278 . . . . 1.0 112.195 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.554 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 136.3 -137.42 9.08 Favored Glycine 0 C--O 1.217 -0.931 0 C-N-CA 128.094 2.759 . . . . 1.0 109.869 -170.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -30.6 -61.12 0.18 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 127.483 2.313 . . . . 1.0 114.446 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 t -44.92 -59.03 2.77 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 128.232 2.613 . . . . 1.0 115.578 170.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.554 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -70.4 -51.88 26.42 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 130.811 3.644 . . . . 1.0 111.673 -177.054 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.52 -46.39 73.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 130.716 3.606 . . . . 1.0 113.509 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.08 -53.81 53.9 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.536 1.534 . . . . 1.0 112.378 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.58 -44.22 76.71 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 125.289 1.436 . . . . 1.0 113.666 173.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -58.13 -52.71 64.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.32 2.248 . . . . 1.0 113.307 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.7 t -55.32 -50.96 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 125.167 1.387 . . . . 1.0 112.001 170.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -49.75 -57.16 7.85 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 126.669 1.988 . . . . 1.0 112.595 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -11.26 3.0 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 116.259 1.948 . . . . 1.0 116.259 172.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -93.8 -60.59 1.72 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.209 -1.557 . . . . 1.0 111.449 169.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.1 mt -82.35 -55.71 4.34 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.624 2.369 . . . . 1.0 114.298 -171.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.09 4.69 25.24 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 128.643 2.777 . . . . 1.0 115.823 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.993 0 C-N-CA 131.271 3.828 . . . . 1.0 118.444 -168.161 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.448 ' H2 ' ' CD ' ' B' ' 128' ' ' GLU . . . . . . . . 0 N--CA 1.473 1.134 0 N-CA-C 108.219 -1.952 . . . . 1.0 108.219 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.06 104.91 5.15 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.996 2.118 . . . . 1.0 107.89 168.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.448 ' CD ' ' H2 ' ' B' ' 126' ' ' GLY . 25.6 mp0 -139.06 162.42 34.97 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 126.212 1.805 . . . . 1.0 113.322 -170.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -143.96 143.69 31.35 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.426 2.29 . . . . 1.0 113.78 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -108.5 98.18 7.74 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.508 1.923 . . . . 1.0 113.426 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -108.17 144.29 35.8 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.723 2.409 . . . . 1.0 113.869 177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -100.93 146.0 27.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.212 1.805 . . . . 1.0 113.304 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -123.81 140.5 52.92 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.035 2.134 . . . . 1.0 111.941 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.92 103.04 5.04 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.915 1.286 . . . . 1.0 113.991 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.95 -33.41 2.89 Favored Pre-proline 0 N--CA 1.486 1.346 0 CA-C-O 116.63 -1.652 . . . . 1.0 115.21 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.23 159.97 26.36 Favored 'Trans proline' 0 C--N 1.365 1.398 0 CA-C-N 123.485 2.28 . . . . 1.0 113.159 170.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 7.4 t -89.77 175.7 7.13 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.269 1.211 . . . . 1.0 114.269 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 10.7 tt -80.06 41.02 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.419 0 C-N-CA 129.243 3.017 . . . . 1.0 115.672 -170.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -39.91 132.68 1.74 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 129.887 3.275 . . . . 1.0 114.938 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -120.29 95.26 4.67 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.822 1.249 . . . . 1.0 111.319 172.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -163.27 -93.47 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.056 1.502 . . . . 1.0 115.056 -171.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -91.54 15.39 61.55 Favored Glycine 0 N--CA 1.481 1.669 1 N-CA-C 123.476 4.15 . . . . 1.0 123.476 -167.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.4 t -58.83 115.34 3.03 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 121.471 2.635 . . . . 1.0 114.742 -175.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.41 -7.43 28.7 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 119.572 3.175 . . . . 1.0 119.572 -170.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.6 t -137.85 -166.96 2.05 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 126.366 1.866 . . . . 1.0 114.187 -174.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 154.8 3.08 0.11 Allowed Glycine 0 N--CA 1.488 2.138 0 C-N-CA 126.719 2.104 . . . . 1.0 117.613 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . 0.26 . . 51.27 19.36 0.74 Allowed 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 118.419 2.748 . . . . 1.0 118.419 168.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 5.1 t -72.29 159.51 33.93 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 128.965 2.906 . . . . 1.0 113.906 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.4 174.27 1.02 Allowed 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 128.052 2.541 . . . . 1.0 111.679 -168.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.492 1.671 1 C-N-CA 132.7 4.4 . . . . 1.0 115.053 167.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttm . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 112.775 0.657 . . . . 1.0 112.775 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -113.48 123.32 49.75 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.378 1.871 . . . . 1.0 110.839 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.5 m -124.66 121.74 35.55 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.845 1.258 . . . . 1.0 113.845 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -112.16 126.58 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 127.313 2.245 . . . . 1.0 111.812 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mp -118.45 124.42 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 126.616 1.966 . . . . 1.0 113.062 -171.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.73 103.69 13.19 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.032 2.133 . . . . 1.0 112.966 -171.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.24 54.91 3.4 Favored Glycine 0 CA--C 1.541 1.683 0 N-CA-C 118.098 1.999 . . . . 1.0 118.098 171.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -53.06 -27.59 20.74 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 126.401 1.88 . . . . 1.0 115.3 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 t -63.82 126.13 26.62 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 128.606 2.763 . . . . 1.0 117.55 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.41 6.99 67.06 Favored Glycine 0 CA--C 1.543 1.801 0 C-N-CA 127.893 2.663 . . . . 1.0 118.979 170.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.8 p -141.45 120.71 8.15 Favored Pre-proline 0 CA--C 1.557 1.244 0 CA-C-N 120.034 1.917 . . . . 1.0 113.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -60.12 -32.09 94.17 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 123.928 3.085 . . . . 1.0 114.158 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -50.92 -50.77 56.86 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.86 2.064 . . . . 1.0 112.981 171.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -70.93 -40.12 72.25 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.372 1.869 . . . . 1.0 114.177 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.73 -54.53 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 CA-C-O 117.661 -1.162 . . . . 1.0 111.748 172.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -57.36 -43.74 83.78 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.476 1.034 . . . . 1.0 112.149 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.0 -46.71 75.21 Favored 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 114.403 1.26 . . . . 1.0 114.403 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HZ3' ' CD ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -65.37 -55.0 20.56 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.751 1.221 . . . . 1.0 113.51 170.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.6 -40.83 66.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.256 2.222 . . . . 1.0 112.587 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -55.58 -48.7 74.39 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 126.153 1.781 . . . . 1.0 113.742 170.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.41 92.89 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 125.844 1.658 . . . . 1.0 114.812 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.425 ' CD ' ' HZ3' ' A' ' 18' ' ' LYS . 45.0 tt0 -59.37 -44.08 92.78 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.066 1.346 . . . . 1.0 113.353 173.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -51.36 -53.37 36.94 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.94 2.496 . . . . 1.0 111.118 170.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.98 -45.99 85.9 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.915 1.686 . . . . 1.0 113.173 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 t -62.06 -33.55 74.61 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.303 1.223 . . . . 1.0 114.303 172.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -68.38 -53.34 24.58 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 127.208 2.203 . . . . 1.0 113.028 170.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.73 -34.61 78.26 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 130.238 3.415 . . . . 1.0 114.69 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -118.56 158.93 24.48 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 127.431 2.292 . . . . 1.0 112.668 -171.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -90.39 -32.19 16.55 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 127.644 2.377 . . . . 1.0 113.893 170.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -34.46 78.27 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 129.017 2.927 . . . . 1.0 114.679 -176.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -95.56 117.93 31.33 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.97 2.908 . . . . 1.0 116.566 -167.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.17 135.12 54.16 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.845 2.858 . . . . 1.0 114.149 172.196 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -117.74 138.62 51.91 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 128.027 2.531 . . . . 1.0 114.313 -172.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -128.45 132.29 48.42 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 127.541 2.336 . . . . 1.0 111.187 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -112.69 125.78 54.68 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.468 1.907 . . . . 1.0 112.482 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -121.68 112.57 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 127.668 2.387 . . . . 1.0 111.893 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.09 70.17 2.04 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 116.215 1.931 . . . . 1.0 116.215 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -55.23 -38.62 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 118.525 -2.609 . . . . 1.0 112.241 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -70.53 -3.86 20.1 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 129.309 3.044 . . . . 1.0 115.205 173.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.51 -41.91 1.99 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.084 1.353 . . . . 1.0 113.338 172.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -61.03 -20.73 62.88 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 129.221 3.008 . . . . 1.0 114.433 171.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.2 30.64 6.22 Favored Glycine 0 N--CA 1.484 1.857 0 C-N-CA 127.428 2.442 . . . . 1.0 116.551 170.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.9 mt -118.22 151.5 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 129.005 2.922 . . . . 1.0 111.453 -170.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 t -134.39 169.62 16.97 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.394 1.627 . . . . 1.0 115.394 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.55 -41.95 22.48 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 128.73 2.812 . . . . 1.0 114.044 171.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -60.54 -38.8 85.62 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.503 2.321 . . . . 1.0 112.608 176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -69.75 -55.12 10.76 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.385 1.474 . . . . 1.0 111.154 169.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 mt -53.38 -40.28 64.88 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.283 1.833 . . . . 1.0 113.879 -174.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -59.25 -48.22 82.43 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.86 1.209 . . . . 1.0 114.153 171.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -64.74 -48.22 75.37 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.942 1.697 . . . . 1.0 111.913 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -37.5 71.48 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.307 2.643 . . . . 1.0 113.81 174.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.0 50.35 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.674 2.39 . . . . 1.0 115.256 169.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.52 18.19 73.44 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.441 1.496 . . . . 1.0 114.354 -170.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -134.58 129.37 19.45 Favored Pre-proline 0 N--CA 1.488 1.474 0 C-N-CA 131.266 3.826 . . . . 1.0 110.152 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -59.58 120.8 8.84 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 122.519 2.146 . . . . 1.0 111.447 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.7 m -125.93 145.15 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 126.479 1.911 . . . . 1.0 112.842 171.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -119.07 -33.38 4.18 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.69 1.996 . . . . 1.0 114.132 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.7 p -136.9 179.42 6.39 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 128.547 2.739 . . . . 1.0 114.385 -170.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.85 160.53 63.49 Favored Pre-proline 0 N--CA 1.491 1.624 0 C-N-CA 124.895 1.278 . . . . 1.0 110.813 168.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.85 166.7 78.36 Favored 'Cis proline' 0 CA--C 1.549 1.269 0 N-CA-C 114.993 1.113 . . . . 1.0 114.993 -0.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -139.2 85.13 2.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.984 2.114 . . . . 1.0 111.559 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.4 mt -119.66 153.14 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 127.941 2.497 . . . . 1.0 113.331 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -128.35 113.73 15.97 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.988 2.115 . . . . 1.0 109.705 171.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.69 146.51 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 C-N-CA 125.533 1.533 . . . . 1.0 109.906 172.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.284 1.4 p30 52.96 6.69 0.06 Allowed 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 128.461 2.704 . . . . 1.0 117.454 -177.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 95.76 9.37 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.555 1 C-N-CA 133.147 4.579 . . . . 1.0 115.317 -171.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -112.09 148.8 33.15 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 127.645 2.378 . . . . 1.0 112.778 171.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.11 111.8 2.1 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.187 -1.57 . . . . 1.0 112.583 173.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.9 mm -123.35 104.89 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 128.328 2.651 . . . . 1.0 105.405 170.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -17.3 -64.52 0.01 OUTLIER Glycine 0 N--CA 1.477 1.378 0 C-N-CA 128.725 3.06 . . . . 1.0 116.708 -170.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.63 -137.61 9.53 Favored Glycine 0 C--O 1.218 -0.901 0 C-N-CA 127.584 2.516 . . . . 1.0 111.336 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -29.93 -54.26 0.16 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 127.347 2.259 . . . . 1.0 115.085 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 t -67.54 -40.42 85.0 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 117.55 2.426 . . . . 1.0 117.55 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -72.56 -60.68 2.11 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 127.281 2.232 . . . . 1.0 112.01 170.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -39.55 69.99 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.322 3.049 . . . . 1.0 114.931 -175.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.04 85.48 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 119.225 0.921 . . . . 1.0 113.132 170.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.34 -43.43 79.05 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.328 1.051 . . . . 1.0 112.214 170.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -58.18 -51.36 70.05 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.311 1.445 . . . . 1.0 112.45 169.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 52.5 t -50.3 -44.15 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.428 -1.42 . . . . 1.0 112.588 170.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -60.62 -43.86 97.0 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 119.862 1.21 . . . . 1.0 112.772 170.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -59.98 -12.05 7.11 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 127.594 2.358 . . . . 1.0 115.185 169.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -101.95 -60.98 1.44 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 127.229 2.212 . . . . 1.0 112.564 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.6 mt -81.77 -52.54 7.02 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.622 1.969 . . . . 1.0 114.456 -171.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -83.73 -4.69 58.83 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.851 2.06 . . . . 1.0 115.809 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 1 C-N-CA 132.5 4.32 . . . . 1.0 117.866 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.458 ' H2 ' ' CD ' ' B' ' 128' ' ' GLU . . . . . . . . 0 N--CA 1.474 1.21 0 N-CA-C 108.055 -2.018 . . . . 1.0 108.055 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.77 104.4 5.08 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.272 1.829 . . . . 1.0 107.172 168.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.458 ' CD ' ' H2 ' ' B' ' 126' ' ' GLY . 26.0 mp0 -139.35 172.25 13.09 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.959 2.503 . . . . 1.0 112.539 -171.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -97.37 111.2 23.55 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.174 1.389 . . . . 1.0 111.437 170.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -122.02 102.25 8.04 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.785 2.034 . . . . 1.0 110.787 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -127.08 130.56 50.13 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.509 1.924 . . . . 1.0 113.063 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -99.3 87.4 3.63 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.636 1.974 . . . . 1.0 113.242 -171.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -63.85 170.01 3.75 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.222 1.809 . . . . 1.0 114.99 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . 0.275 0.0 OUTLIER -50.1 94.32 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.475 0 N-CA-C 116.28 1.955 . . . . 1.0 116.28 -169.657 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.4 -29.46 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.285 0 C-N-CA 129.594 3.158 . . . . 1.0 115.648 176.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.2 -28.46 10.68 Favored 'Trans proline' 0 C--N 1.363 1.333 0 CA-C-N 123.505 2.288 . . . . 1.0 113.333 170.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 73.3 m -153.32 106.19 2.94 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 114.589 1.329 . . . . 1.0 114.589 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 11.5 tt -83.41 17.92 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 129.162 2.985 . . . . 1.0 115.882 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -50.13 125.12 11.55 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.964 2.505 . . . . 1.0 113.423 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -120.07 94.83 4.52 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.217 1.407 . . . . 1.0 113.961 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.268 34.2 p30 -155.33 9.04 0.29 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 119.791 3.256 . . . . 1.0 119.791 176.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 177.12 75.16 0.05 OUTLIER Glycine 0 N--CA 1.48 1.62 0 CA-C-N 120.003 1.274 . . . . 1.0 115.616 174.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 2.4 t -131.17 94.08 3.5 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.416 1.487 . . . . 1.0 113.179 -176.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.64 14.79 1.54 Allowed 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 118.36 2.726 . . . . 1.0 118.36 -170.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -126.3 174.47 8.54 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 116.04 1.867 . . . . 1.0 116.04 -173.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 141.68 -11.85 2.67 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 129.99 3.662 . . . . 1.0 116.19 171.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.96 15.42 0.25 Allowed 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 127.647 2.379 . . . . 1.0 117.276 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 25.0 t -71.26 127.91 34.14 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.687 1.995 . . . . 1.0 114.661 -169.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.89 174.16 0.93 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 130.636 3.574 . . . . 1.0 112.787 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 N--CA 1.49 1.571 0 C-N-CA 128.874 2.869 . . . . 1.0 114.599 173.136 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mmm . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 119.178 -0.439 . . . . 1.0 110.723 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -109.01 124.78 51.27 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 127.365 2.266 . . . . 1.0 114.519 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.7 m -123.22 117.21 24.79 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 124.671 1.188 . . . . 1.0 112.415 170.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 t -110.51 132.8 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 C-N-CA 126.919 2.088 . . . . 1.0 111.289 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -121.52 126.72 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 125.939 1.696 . . . . 1.0 113.277 -171.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -102.45 109.6 21.3 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.725 2.41 . . . . 1.0 112.957 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.54 60.44 2.64 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 128.111 2.767 . . . . 1.0 119.681 169.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -60.17 -45.22 93.85 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 119.815 1.808 . . . . 1.0 110.781 169.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -61.27 110.88 1.53 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.718 2.807 . . . . 1.0 112.353 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.04 -12.44 49.07 Favored Glycine 0 CA--C 1.541 1.695 0 N-CA-C 118.941 2.337 . . . . 1.0 118.941 170.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.82 126.21 17.76 Favored Pre-proline 0 CA--C 1.56 1.355 0 CA-C-N 120.838 2.319 . . . . 1.0 115.431 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.05 -32.52 27.85 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.569 3.513 . . . . 1.0 116.92 -169.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -70.36 -37.5 74.62 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 120.74 1.609 . . . . 1.0 111.45 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -61.42 -40.14 93.33 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.405 1.482 . . . . 1.0 113.249 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.4 t -55.68 -54.94 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.764 0.826 . . . . 1.0 110.777 170.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -58.82 -42.23 88.71 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.04 1.336 . . . . 1.0 111.759 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.17 -52.54 58.48 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.345 1.858 . . . . 1.0 114.693 171.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -51.73 61.74 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.072 1.349 . . . . 1.0 113.201 173.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -49.97 -43.11 50.02 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.334 2.254 . . . . 1.0 112.896 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mp -52.26 -55.67 19.73 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.616 1.967 . . . . 1.0 113.386 169.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.74 98.22 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 125.638 1.575 . . . . 1.0 113.96 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -56.32 -48.53 76.54 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.287 1.835 . . . . 1.0 113.031 171.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -55.91 -43.57 77.45 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 127.992 2.517 . . . . 1.0 113.079 169.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -46.47 89.05 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 126.407 1.883 . . . . 1.0 113.343 171.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -60.89 -32.29 71.75 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.568 1.547 . . . . 1.0 114.132 171.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -42.94 75.63 Favored 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 125.898 1.679 . . . . 1.0 112.362 168.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.49 -22.9 64.52 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 127.851 2.46 . . . . 1.0 114.965 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -138.22 170.34 16.2 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 117.791 2.515 . . . . 1.0 117.791 -170.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -116.38 18.24 15.26 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 128.292 2.637 . . . . 1.0 115.254 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -112.14 -30.01 7.38 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 128.809 2.844 . . . . 1.0 114.732 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -97.22 108.19 20.87 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 129.888 3.275 . . . . 1.0 113.865 -170.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.62 121.16 37.03 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 129.373 3.069 . . . . 1.0 108.531 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.64 138.38 47.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.605 1.162 . . . . 1.0 113.407 177.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -127.57 131.03 50.05 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.25 1.42 . . . . 1.0 111.181 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.6 t80 -110.9 126.04 54.29 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.23 1.412 . . . . 1.0 114.786 -177.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.52 117.53 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 127.02 2.128 . . . . 1.0 111.376 -177.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.305 0.0 OUTLIER -74.12 158.56 33.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 119.452 -2.03 . . . . 1.0 116.057 168.317 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.281 2.1 pp -121.33 -49.48 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 125.802 1.641 . . . . 1.0 112.276 178.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -63.91 -35.22 79.96 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.549 1.54 . . . . 1.0 114.052 171.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.43 -32.48 24.07 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 115.639 1.718 . . . . 1.0 115.639 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -83.43 -34.61 25.43 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.65 1.722 . . . . 1.0 115.65 171.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.03 56.01 0.71 Allowed Glycine 0 CA--C 1.544 1.863 0 C-N-CA 126.677 2.084 . . . . 1.0 114.342 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.9 mt -134.82 155.98 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 128.975 2.91 . . . . 1.0 110.657 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -146.09 166.93 24.66 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 115.729 1.752 . . . . 1.0 115.729 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.55 -47.32 1.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 129.131 2.972 . . . . 1.0 114.054 170.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -59.88 -34.84 73.69 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 127.998 2.519 . . . . 1.0 112.55 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -73.98 -55.47 6.11 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 127.354 2.262 . . . . 1.0 111.254 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.61 -44.73 85.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.207 2.203 . . . . 1.0 113.692 -172.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -59.08 -35.42 73.36 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 120.303 1.41 . . . . 1.0 114.033 174.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -69.86 -47.5 62.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.192 1.397 . . . . 1.0 111.972 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -65.17 -26.56 68.21 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 127.121 2.168 . . . . 1.0 115.283 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.57 -35.6 20.95 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 127.162 2.185 . . . . 1.0 116.422 175.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.76 -31.98 2.98 Favored Glycine 0 CA--C 1.547 2.084 0 C-N-CA 126.534 2.016 . . . . 1.0 115.178 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -69.48 126.93 92.95 Favored Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 127.165 2.186 . . . . 1.0 109.383 169.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.64 85.43 0.6 Allowed 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.458 2.772 . . . . 1.0 110.783 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 16.7 m -78.56 149.66 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.943 1.297 . . . . 1.0 112.649 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -122.04 -38.77 2.67 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.535 1.934 . . . . 1.0 113.096 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.6 p -131.96 -176.23 3.99 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.491 2.316 . . . . 1.0 113.19 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.13 164.95 45.79 Favored Pre-proline 0 N--CA 1.493 1.72 0 C-N-CA 126.93 2.092 . . . . 1.0 112.059 169.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -69.97 168.36 68.5 Favored 'Cis proline' 0 CA--C 1.547 1.16 0 CA-C-N 120.236 1.12 . . . . 1.0 114.374 -4.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -138.71 83.81 1.98 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.257 2.223 . . . . 1.0 112.529 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.52 153.66 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 128.872 2.869 . . . . 1.0 113.67 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -132.32 132.58 43.08 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.545 2.338 . . . . 1.0 110.084 176.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.2 t -112.44 134.15 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 126.55 1.94 . . . . 1.0 109.986 172.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.324 0.1 OUTLIER 34.97 45.7 0.17 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 128.776 2.83 . . . . 1.0 113.622 -169.323 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 73.81 1.98 4.09 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 130.48 3.512 . . . . 1.0 117.487 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -94.79 139.52 31.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.709 2.404 . . . . 1.0 111.108 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -61.39 123.21 17.17 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.241 -1.537 . . . . 1.0 112.313 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.7 mm -134.65 93.42 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 130.016 3.326 . . . . 1.0 106.291 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -14.01 -57.55 0.01 OUTLIER Glycine 0 N--CA 1.482 1.736 0 C-N-CA 128.886 3.136 . . . . 1.0 118.514 -170.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.21 -143.38 14.81 Favored Glycine 0 N--CA 1.471 1.025 0 C-N-CA 128.168 2.794 . . . . 1.0 112.037 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -30.05 -60.64 0.17 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.996 2.518 . . . . 1.0 112.993 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 t -49.78 -59.79 3.5 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 127.352 2.261 . . . . 1.0 117.028 170.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.47 -48.24 50.5 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 130.611 3.564 . . . . 1.0 111.935 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -56.69 -45.09 81.99 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 131.159 3.783 . . . . 1.0 113.127 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.17 -49.55 75.62 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 117.673 -1.156 . . . . 1.0 112.794 171.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.48 81.6 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.452 1.101 . . . . 1.0 112.93 172.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -55.87 -56.01 25.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 125.226 1.41 . . . . 1.0 112.974 171.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.47 -45.33 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 125.95 1.7 . . . . 1.0 113.005 174.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -60.46 3.3 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.573 1.949 . . . . 1.0 111.461 173.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . 0.252 0.9 OUTLIER -59.5 -10.1 3.07 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 125.916 1.686 . . . . 1.0 115.387 175.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -90.57 -57.01 2.97 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 127.128 2.171 . . . . 1.0 111.444 168.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.8 mt -87.68 -57.07 3.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.194 2.597 . . . . 1.0 114.391 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.01 5.9 1.05 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 127.311 2.244 . . . . 1.0 113.491 168.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.264 1.817 0 C-N-CA 129.103 2.961 . . . . 1.0 115.241 -176.632 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.457 ' H2 ' ' CD ' ' B' ' 128' ' ' GLU . . . . . . . . 0 N--CA 1.473 1.108 0 N-CA-C 108.025 -2.03 . . . . 1.0 108.025 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.18 104.46 5.21 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.979 1.712 . . . . 1.0 107.449 168.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.457 ' CD ' ' H2 ' ' B' ' 126' ' ' GLY . 25.9 mp0 -139.29 171.33 14.44 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.055 2.142 . . . . 1.0 113.135 -171.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -139.81 143.08 36.68 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 126.435 1.894 . . . . 1.0 111.923 171.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -105.14 90.63 3.5 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 126.555 1.942 . . . . 1.0 112.44 -172.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -105.11 143.28 33.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.751 2.02 . . . . 1.0 113.538 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -105.3 85.86 2.33 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 125.834 1.654 . . . . 1.0 113.549 -170.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.33 143.2 58.07 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 127.886 2.474 . . . . 1.0 112.854 173.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -148.28 142.82 26.46 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.791 1.636 . . . . 1.0 114.99 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -104.1 -25.36 0.2 Allowed Pre-proline 0 N--CA 1.492 1.645 0 C-N-CA 128.249 2.62 . . . . 1.0 117.043 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.01 173.19 14.35 Favored 'Trans proline' 0 CA--C 1.554 1.486 0 C-N-CA 123.777 2.984 . . . . 1.0 114.798 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 30.4 t -93.93 167.59 11.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.707 2.803 . . . . 1.0 114.028 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 16.1 tt -77.26 -5.03 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 C-N-CA 127.153 2.181 . . . . 1.0 115.393 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 6.86 102.97 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 1 C-N-CA 132.59 4.356 . . . . 1.0 117.399 169.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.41 95.42 7.65 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.619 1.568 . . . . 1.0 110.771 171.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.308 0.7 OUTLIER -142.3 -91.15 0.13 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.141 1.776 . . . . 1.0 110.041 -178.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -147.66 69.87 0.35 Allowed Glycine 0 CA--C 1.546 1.98 0 N-CA-C 119.123 2.409 . . . . 1.0 119.123 -170.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 1.3 t -65.17 139.03 58.63 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.612 1.338 . . . . 1.0 114.612 171.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.18 -15.12 19.04 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 120.77 3.619 . . . . 1.0 120.77 -168.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 6.1 t -141.23 -164.03 1.67 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 114.754 1.39 . . . . 1.0 114.754 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.58 3.85 0.19 Allowed Glycine 0 N--CA 1.479 1.541 0 C-N-CA 127.01 2.243 . . . . 1.0 117.466 170.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.81 16.64 0.34 Allowed 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 128.71 2.804 . . . . 1.0 117.899 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.45 143.65 48.39 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 129.698 3.199 . . . . 1.0 113.152 -174.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.87 171.69 1.07 Allowed 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 128.1 2.56 . . . . 1.0 112.321 -169.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.497 1.877 0 C-N-CA 128.339 2.656 . . . . 1.0 115.016 169.828 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.699 0.761 . . . . 1.0 110.147 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -112.37 121.14 44.03 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.809 2.444 . . . . 1.0 111.342 172.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 98.3 m -114.84 114.49 25.6 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.817 1.247 . . . . 1.0 109.673 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.8 t -110.08 122.42 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 126.619 1.968 . . . . 1.0 109.783 -171.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.0 mp -108.77 123.24 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.132 2.173 . . . . 1.0 112.545 -171.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -106.45 107.12 17.97 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.952 1.701 . . . . 1.0 111.875 -177.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.17 58.52 2.31 Favored Glycine 0 N--CA 1.475 1.292 0 N-CA-C 118.279 2.071 . . . . 1.0 118.279 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -53.66 -56.1 20.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 126.543 1.937 . . . . 1.0 110.687 171.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -66.5 123.63 20.56 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.778 2.431 . . . . 1.0 113.533 174.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.18 -93.36 0.24 Allowed Glycine 0 CA--C 1.538 1.475 0 C-N-CA 128.294 2.854 . . . . 1.0 111.511 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 13.0 p -81.73 154.18 70.67 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 129.24 3.016 . . . . 1.0 116.548 174.256 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.42 -39.8 0.51 Allowed 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.869 3.046 . . . . 1.0 115.627 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -62.23 -38.1 87.92 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 121.352 1.887 . . . . 1.0 111.696 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.409 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.2 t -52.63 -45.08 66.5 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.785 1.234 . . . . 1.0 112.902 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.63 -52.24 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-O 118.531 -0.747 . . . . 1.0 110.908 171.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -56.88 -41.26 77.73 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.151 1.38 . . . . 1.0 111.297 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.15 91.54 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.481 2.713 . . . . 1.0 113.517 172.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.4 -56.55 20.02 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.671 1.588 . . . . 1.0 111.648 172.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.81 -42.57 36.51 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 128.467 2.707 . . . . 1.0 112.516 172.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.43 -46.38 90.23 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 125.99 1.716 . . . . 1.0 112.549 171.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.87 98.18 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 119.476 1.034 . . . . 1.0 112.527 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.46 -43.65 93.15 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.237 1.015 . . . . 1.0 112.594 171.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -53.61 -50.13 66.33 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.435 1.894 . . . . 1.0 110.939 172.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -44.34 89.46 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.676 1.59 . . . . 1.0 114.65 172.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -63.36 -38.08 89.78 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.906 1.282 . . . . 1.0 113.994 172.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -65.7 -45.75 81.58 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 125.998 1.719 . . . . 1.0 110.707 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -66.19 -35.93 81.75 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 129.232 3.013 . . . . 1.0 115.194 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -130.01 151.24 50.78 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 126.318 1.847 . . . . 1.0 115.131 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -78.38 -30.89 48.15 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 129.358 3.063 . . . . 1.0 114.332 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -65.23 -30.38 71.27 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 130.292 3.437 . . . . 1.0 115.451 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -97.55 117.3 31.51 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 123.718 1.723 . . . . 1.0 115.141 -170.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -109.66 132.13 54.43 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 129.027 2.931 . . . . 1.0 110.966 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.28 135.94 54.82 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.991 1.716 . . . . 1.0 113.945 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.92 133.94 47.16 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.957 1.703 . . . . 1.0 111.227 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -116.87 123.75 47.81 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.813 1.412 . . . . 1.0 114.813 -176.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 t -120.52 113.9 41.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 128.253 2.621 . . . . 1.0 112.165 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.284 0.0 OUTLIER -77.1 82.76 3.61 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.212 -1.555 . . . . 1.0 114.938 176.274 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -61.98 -38.72 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 118.601 -2.562 . . . . 1.0 111.874 176.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -6.0 24.89 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.279 3.032 . . . . 1.0 113.545 175.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -128.41 -46.27 1.33 Allowed 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 114.849 1.425 . . . . 1.0 114.849 173.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.51 -10.64 18.8 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 128.547 2.739 . . . . 1.0 115.365 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.01 51.65 2.05 Favored Glycine 0 N--CA 1.483 1.803 0 C-N-CA 126.194 1.854 . . . . 1.0 115.916 171.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.0 mt -142.38 156.3 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.374 1.869 . . . . 1.0 109.998 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -151.11 168.05 25.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.249 1.819 . . . . 1.0 113.658 -171.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -53.49 -25.76 17.77 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.829 1.418 . . . . 1.0 114.829 172.135 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -68.28 -30.65 69.71 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 126.248 1.819 . . . . 1.0 112.508 171.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.88 -52.74 5.79 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.068 2.547 . . . . 1.0 111.039 171.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -54.31 -35.67 62.9 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.981 1.712 . . . . 1.0 113.272 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -60.59 -40.43 91.72 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 120.194 1.361 . . . . 1.0 112.836 171.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -70.01 -39.65 75.71 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.593 2.357 . . . . 1.0 112.273 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -66.77 -37.14 84.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.258 1.423 . . . . 1.0 113.987 171.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.58 -17.24 52.02 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.891 2.476 . . . . 1.0 116.44 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.2 17.04 51.27 Favored Glycine 0 CA--C 1.549 2.214 0 CA-C-N 119.8 1.182 . . . . 1.0 113.54 -171.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -126.01 131.7 24.07 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 130.402 3.481 . . . . 1.0 111.592 -171.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.38 79.08 1.17 Allowed 'Trans proline' 0 CA--C 1.549 1.226 0 C-N-CA 123.927 3.085 . . . . 1.0 113.06 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.452 HG12 HE22 ' A' ' 61' ' ' GLN . 3.7 m -83.83 157.34 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 124.63 1.172 . . . . 1.0 112.438 172.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -140.2 -11.01 1.1 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.203 1.801 . . . . 1.0 114.32 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.7 p -147.83 175.95 10.53 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 129.32 3.048 . . . . 1.0 113.228 -171.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.81 167.96 18.57 Favored Pre-proline 0 N--CA 1.484 1.269 0 C-N-CA 127.467 2.307 . . . . 1.0 111.875 171.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.81 166.13 56.33 Favored 'Cis proline' 0 CA--C 1.549 1.253 0 CA-C-N 119.19 0.746 . . . . 1.0 113.111 -8.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.452 HE22 HG12 ' A' ' 56' ' ' VAL . 90.3 mm-40 -135.01 76.26 1.62 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.266 2.226 . . . . 1.0 110.33 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 27.4 mt -108.4 150.77 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 127.988 2.515 . . . . 1.0 113.924 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -130.23 105.12 7.7 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 128.358 2.663 . . . . 1.0 109.603 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.2 t -90.72 134.49 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.763 1.625 . . . . 1.0 108.919 176.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.259 4.2 m-20 37.11 46.66 0.56 Allowed 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 129.907 3.283 . . . . 1.0 112.353 -171.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.326 1.8 tt0 46.68 51.5 12.15 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 131.011 3.724 . . . . 1.0 115.696 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.77 136.56 27.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 130.914 3.686 . . . . 1.0 108.568 171.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 -60.63 115.21 3.45 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.345 -1.472 . . . . 1.0 114.521 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.7 mm -128.73 97.78 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 128.687 2.795 . . . . 1.0 104.928 171.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -13.41 -61.62 0.01 OUTLIER Glycine 0 N--CA 1.473 1.109 0 C-N-CA 129.046 3.213 . . . . 1.0 116.2 -173.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.18 -149.87 19.51 Favored Glycine 0 C--O 1.224 -0.529 0 C-N-CA 126.813 2.149 . . . . 1.0 108.702 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -35.36 -53.05 0.64 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 125.915 1.686 . . . . 1.0 111.94 -171.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.0 t -48.64 -57.64 5.94 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 116.01 1.856 . . . . 1.0 116.01 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -53.6 42.97 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.098 2.559 . . . . 1.0 111.975 172.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.64 -43.61 47.0 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.985 2.914 . . . . 1.0 114.59 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.33 79.37 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.881 2.072 . . . . 1.0 112.802 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.94 97.78 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.819 1.248 . . . . 1.0 112.881 172.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -60.71 -54.32 46.69 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.526 2.33 . . . . 1.0 113.418 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.7 t -52.65 -49.39 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 125.763 1.625 . . . . 1.0 111.416 172.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -50.32 68.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.02 1.728 . . . . 1.0 113.223 172.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.71 -14.43 20.97 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.872 2.069 . . . . 1.0 115.625 171.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -99.74 -59.87 1.64 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 127.203 2.201 . . . . 1.0 113.756 172.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.48 -64.04 1.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.505 2.322 . . . . 1.0 112.979 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.33 6.14 1.46 Allowed 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 127.017 2.127 . . . . 1.0 114.747 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 129.44 3.096 . . . . 1.0 115.369 -178.624 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.467 ' H2 ' ' CD ' ' B' ' 128' ' ' GLU . . . . . . . . 0 N--CA 1.473 1.109 0 N-CA-C 107.703 -2.159 . . . . 1.0 107.703 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.89 107.61 6.59 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.293 2.237 . . . . 1.0 106.085 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.467 ' CD ' ' H2 ' ' B' ' 126' ' ' GLY . 20.9 mp0 -137.4 119.38 15.37 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.189 1.396 . . . . 1.0 112.152 -172.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -100.17 98.62 9.3 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.858 1.263 . . . . 1.0 110.93 -173.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.59 100.34 11.57 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.901 2.08 . . . . 1.0 111.505 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -107.73 139.97 41.5 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.14 1.776 . . . . 1.0 113.109 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -100.1 117.37 34.21 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.126 2.171 . . . . 1.0 113.172 -171.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -60.51 161.71 7.23 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.539 1.136 . . . . 1.0 111.561 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.61 97.44 5.74 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.509 -1.37 . . . . 1.0 113.611 -173.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 78.9 t -77.38 -39.05 1.97 Allowed Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 128.789 2.836 . . . . 1.0 113.869 171.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.28 77.61 2.03 Favored 'Trans proline' 0 C--N 1.369 1.608 0 C-N-CA 124.535 3.49 . . . . 1.0 114.184 -172.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 34.6 t -91.58 135.64 33.72 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 128.351 2.66 . . . . 1.0 114.982 -172.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 35.8 pt -78.6 -4.33 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 127.72 2.408 . . . . 1.0 115.266 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.27 133.01 46.58 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 128.289 2.635 . . . . 1.0 111.746 171.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.87 97.81 9.28 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-O 123.06 1.409 . . . . 1.0 110.7 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.326 3.6 t70 -165.43 -156.51 0.29 Allowed 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 130.826 3.65 . . . . 1.0 112.86 170.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -56.56 9.17 0.01 OUTLIER Glycine 0 CA--C 1.541 1.714 0 C-N-CA 129.436 3.398 . . . . 1.0 119.795 -173.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.9 m -45.6 125.43 5.87 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.478 1.911 . . . . 1.0 112.522 173.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -96.19 -92.72 0.21 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 129.723 3.209 . . . . 1.0 117.045 -171.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.5 t -48.59 164.41 0.06 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 119.544 3.164 . . . . 1.0 119.544 -170.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -179.46 -7.54 0.02 OUTLIER Glycine 0 CA--C 1.541 1.676 0 C-N-CA 128.572 2.987 . . . . 1.0 116.468 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.23 21.68 2.34 Favored 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 127.11 2.164 . . . . 1.0 115.787 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 13.1 t -74.27 139.16 44.09 Favored 'General case' 0 CA--C 1.551 0.987 1 C-N-CA 132.995 4.518 . . . . 1.0 114.442 -171.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.68 169.83 0.49 Allowed 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 129.522 3.129 . . . . 1.0 114.588 -171.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.498 1.968 0 C-N-CA 129.785 3.234 . . . . 1.0 114.95 172.069 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.43 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 2.6 ttm . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 119.547 -0.263 . . . . 1.0 111.344 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -118.55 121.27 39.83 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.246 1.018 . . . . 1.0 110.987 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 97.6 m -120.64 118.65 30.68 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 125.107 1.363 . . . . 1.0 112.69 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 t -111.05 126.83 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.202 1.801 . . . . 1.0 112.394 -172.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.0 mp -116.93 120.45 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 126.751 2.02 . . . . 1.0 112.105 -172.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -96.1 103.16 15.04 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.966 1.706 . . . . 1.0 112.405 -175.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.83 97.17 0.04 OUTLIER Glycine 0 N--CA 1.48 1.63 0 C-N-CA 129.631 3.491 . . . . 1.0 117.946 176.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -70.37 -51.94 26.15 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 120.011 1.905 . . . . 1.0 112.558 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -63.96 133.8 53.87 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 128.016 2.526 . . . . 1.0 115.844 -172.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.47 -9.38 41.56 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 128.431 2.92 . . . . 1.0 116.664 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 11.2 p -155.03 120.77 2.63 Favored Pre-proline 0 CA--C 1.558 1.254 0 C-N-CA 126.714 2.006 . . . . 1.0 116.013 -172.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -67.89 -27.35 37.15 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 124.584 3.523 . . . . 1.0 113.106 -172.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -64.91 -38.44 90.98 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.639 1.109 . . . . 1.0 111.726 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.478 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.4 t -65.69 -47.99 73.57 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.07 1.348 . . . . 1.0 112.016 171.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -53.84 -52.29 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-O 117.75 -1.119 . . . . 1.0 111.344 172.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -62.83 -41.64 99.41 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.783 1.233 . . . . 1.0 111.588 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.79 -46.67 87.03 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.621 1.169 . . . . 1.0 113.145 172.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -61.57 -54.28 45.2 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.348 1.459 . . . . 1.0 112.527 171.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -52.57 -42.64 64.65 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.584 2.754 . . . . 1.0 112.971 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.8 -45.93 91.74 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 126.428 1.891 . . . . 1.0 112.538 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.68 96.9 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.601 1.16 . . . . 1.0 112.448 171.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -56.15 -48.41 76.33 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.534 1.534 . . . . 1.0 111.761 171.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -53.4 -46.71 69.81 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.138 2.575 . . . . 1.0 113.343 172.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.64 -44.35 86.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.564 1.546 . . . . 1.0 113.595 172.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -60.86 -33.92 73.81 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.735 1.152 . . . . 1.0 113.581 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.52 -44.83 81.4 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 127.754 2.422 . . . . 1.0 110.788 170.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -78.5 -31.27 47.61 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 127.172 2.189 . . . . 1.0 114.044 -175.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -122.71 162.16 22.52 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 116.962 2.208 . . . . 1.0 116.962 -171.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -83.02 -38.42 22.63 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 131.199 3.8 . . . . 1.0 114.457 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.19 -22.09 36.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.005 2.122 . . . . 1.0 115.471 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -97.74 110.89 23.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.791 1.636 . . . . 1.0 113.08 -171.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -114.1 130.94 56.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.91 2.484 . . . . 1.0 110.901 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.29 0.0 OUTLIER -111.72 136.66 50.67 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.115 2.566 . . . . 1.0 115.535 -171.585 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -128.97 133.54 47.85 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.661 1.584 . . . . 1.0 110.263 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -113.04 123.48 50.39 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.394 1.477 . . . . 1.0 111.699 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -122.13 113.51 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 126.902 2.081 . . . . 1.0 111.161 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.01 101.29 3.2 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.808 1.41 . . . . 1.0 114.808 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -74.52 -34.67 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 119.643 -1.911 . . . . 1.0 112.281 173.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -78.72 5.12 11.92 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 127.983 2.513 . . . . 1.0 113.019 172.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.26 -32.39 0.86 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 116.238 1.94 . . . . 1.0 116.238 171.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -74.39 -18.32 60.68 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 126.448 1.899 . . . . 1.0 112.285 171.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.17 54.61 1.25 Allowed Glycine 0 N--CA 1.475 1.296 0 C-N-CA 127.632 2.539 . . . . 1.0 114.972 172.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.1 mt -128.85 164.27 31.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 C-N-CA 127.468 2.307 . . . . 1.0 111.681 -172.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 t -149.19 161.41 42.05 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.198 2.599 . . . . 1.0 112.939 -172.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -26.47 23.0 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.482 1.513 . . . . 1.0 113.612 171.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.57 -31.92 72.32 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.419 2.288 . . . . 1.0 112.728 174.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.56 -56.03 4.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.437 2.295 . . . . 1.0 110.553 171.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.4 mt -54.53 -48.44 71.95 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.295 2.238 . . . . 1.0 112.802 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -54.57 -40.28 68.6 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.116 1.367 . . . . 1.0 114.192 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -72.17 -58.41 3.44 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.505 1.922 . . . . 1.0 111.896 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -51.02 -40.0 57.18 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.395 1.078 . . . . 1.0 113.798 172.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.57 60.6 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 118.067 2.618 . . . . 1.0 118.067 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.02 38.68 24.97 Favored Glycine 0 CA--C 1.544 1.889 0 CA-C-N 120.406 1.457 . . . . 1.0 112.486 -171.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 126.63 11.3 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 128.942 2.897 . . . . 1.0 110.862 -171.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.8 55.93 5.08 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 124.48 3.454 . . . . 1.0 114.839 -172.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.9 m -69.24 150.14 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.192 0.997 . . . . 1.0 112.533 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -122.76 -32.53 3.53 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.48 1.112 . . . . 1.0 112.263 171.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.9 p -133.24 -179.08 5.28 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.355 1.862 . . . . 1.0 113.742 -174.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG22 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -89.82 158.51 44.79 Favored Pre-proline 0 N--CA 1.49 1.55 0 C-N-CA 127.15 2.18 . . . . 1.0 112.585 178.212 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.05 168.99 70.68 Favored 'Cis proline' 0 CA--C 1.542 0.888 0 N-CA-C 114.279 0.838 . . . . 1.0 114.279 4.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -139.35 74.97 1.49 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.74 2.016 . . . . 1.0 111.17 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.9 mt -99.31 150.81 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 127.911 2.484 . . . . 1.0 114.969 175.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -133.11 109.07 9.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.369 1.868 . . . . 1.0 109.812 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.16 122.31 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 125.101 1.361 . . . . 1.0 109.085 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.637 0.0 OUTLIER 52.8 17.69 0.9 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 130.257 3.423 . . . . 1.0 117.013 -170.963 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 94.56 5.93 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 1 C-N-CA 132.24 4.216 . . . . 1.0 114.894 -174.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -94.14 134.01 37.03 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 126.771 2.028 . . . . 1.0 109.98 172.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -60.74 107.82 0.75 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.841 0.856 . . . . 1.0 111.676 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.5 mm -126.04 83.79 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 128.945 2.898 . . . . 1.0 106.465 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -8.25 -56.57 0.01 OUTLIER Glycine 0 CA--C 1.542 1.736 0 C-N-CA 129.543 3.449 . . . . 1.0 118.601 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.95 -139.08 12.11 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 127.665 2.555 . . . . 1.0 111.157 -172.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -33.63 -35.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 121.324 2.562 . . . . 1.0 115.153 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -62.28 1.48 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 119.894 -1.754 . . . . 1.0 113.527 170.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -62.6 1.33 Allowed 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 131.786 4.034 . . . . 1.0 114.839 177.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -43.72 -43.49 6.0 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 130.202 3.401 . . . . 1.0 112.929 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.32 70.34 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.293 1.037 . . . . 1.0 112.2 171.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.91 83.99 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.491 1.116 . . . . 1.0 112.875 172.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -58.92 -53.94 52.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.542 1.937 . . . . 1.0 113.651 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.98 -52.03 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 127.173 2.189 . . . . 1.0 110.995 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -52.82 -52.35 57.34 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 128.208 2.603 . . . . 1.0 113.132 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -56.27 -16.58 5.68 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.65 1.722 . . . . 1.0 115.65 173.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -100.11 -59.33 1.73 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 128.446 2.698 . . . . 1.0 113.381 171.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.01 -36.14 49.11 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.166 2.187 . . . . 1.0 116.081 -174.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -94.97 -0.11 54.17 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 127.023 2.129 . . . . 1.0 115.25 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.351 0 C-N-CA 130.428 3.491 . . . . 1.0 115.892 -171.686 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.18 0 N-CA-C 107.94 -2.064 . . . . 1.0 107.94 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.23 106.73 6.13 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 105.95 -1.87 . . . . 1.0 105.95 170.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -137.95 124.96 21.37 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.884 1.673 . . . . 1.0 111.931 -175.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.91 139.99 23.04 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.534 0.939 . . . . 1.0 113.534 172.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -132.81 88.15 2.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.687 1.995 . . . . 1.0 111.292 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -114.42 112.4 22.95 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.328 1.232 . . . . 1.0 114.328 -172.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.08 88.24 2.68 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.811 2.044 . . . . 1.0 109.238 171.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.18 110.27 1.34 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.701 2.4 . . . . 1.0 112.133 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 6.1 tt -140.77 129.78 23.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.519 1.527 . . . . 1.0 111.69 -172.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 89.5 t -115.9 -64.75 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.649 0 C-N-CA 125.443 1.497 . . . . 1.0 112.667 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.3 92.65 0.74 Allowed 'Trans proline' 0 CA--C 1.549 1.26 0 C-N-CA 123.581 2.854 . . . . 1.0 109.256 171.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 26.1 p -91.08 107.39 19.17 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 122.786 1.279 . . . . 1.0 113.709 -171.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 4.8 mp -131.14 78.78 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 127.345 2.258 . . . . 1.0 109.498 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -144.37 98.15 3.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.951 2.1 . . . . 1.0 106.907 171.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.99 97.23 3.14 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.807 1.243 . . . . 1.0 107.909 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -145.24 8.54 1.21 Allowed 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 117.394 2.368 . . . . 1.0 117.394 -171.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 129.95 94.8 0.73 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.479 1.514 . . . . 1.0 116.673 172.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 2.6 t -154.7 148.61 25.65 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 116.539 2.052 . . . . 1.0 116.539 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -130.22 102.33 6.17 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 128.574 2.75 . . . . 1.0 111.209 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -161.75 150.96 15.98 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.879 2.072 . . . . 1.0 112.654 171.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 153.77 -13.87 0.58 Allowed Glycine 0 N--CA 1.479 1.546 0 N-CA-C 118.376 2.11 . . . . 1.0 118.376 171.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.43 31.21 14.2 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.343 1.857 . . . . 1.0 115.362 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.25 140.22 46.71 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-O 123.227 1.489 . . . . 1.0 112.497 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt 176.74 176.91 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 1 C-N-CA 136.203 5.801 . . . . 1.0 107.588 -171.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.502 2.137 0 CA-C-N 120.826 1.648 . . . . 1.0 112.955 171.326 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.607 0.718 . . . . 1.0 109.581 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -112.9 121.95 46.18 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 128.015 2.526 . . . . 1.0 110.829 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m -120.52 118.4 30.14 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.913 1.285 . . . . 1.0 112.899 -172.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 t -115.22 121.78 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 126.495 1.918 . . . . 1.0 110.628 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 mp -107.6 122.18 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.728 2.011 . . . . 1.0 111.499 -171.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -103.02 101.36 11.34 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.022 1.729 . . . . 1.0 114.143 -172.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.54 76.41 0.73 Allowed Glycine 0 N--CA 1.48 1.567 0 C-N-CA 128.662 3.029 . . . . 1.0 117.78 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -67.93 -38.78 83.28 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 127.513 2.325 . . . . 1.0 114.454 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -62.93 -23.29 67.31 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 118.27 2.693 . . . . 1.0 118.27 -171.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.99 -9.37 60.88 Favored Glycine 0 CA--C 1.538 1.531 0 N-CA-C 118.967 2.347 . . . . 1.0 118.967 -171.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.0 p -169.48 146.7 2.95 Favored Pre-proline 0 CA--C 1.558 1.259 0 CA-C-N 120.131 1.965 . . . . 1.0 115.882 -171.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.67 -36.67 40.52 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 123.849 3.033 . . . . 1.0 114.903 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -62.03 -38.79 90.04 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.066 1.303 . . . . 1.0 112.293 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.459 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.5 t -63.97 -45.17 90.3 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.823 1.249 . . . . 1.0 111.892 171.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.61 -52.65 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 117.226 -1.369 . . . . 1.0 111.47 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -64.07 -41.07 97.48 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.837 1.655 . . . . 1.0 111.537 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.27 -43.45 96.17 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.231 1.413 . . . . 1.0 112.363 171.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -57.79 11.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.504 1.121 . . . . 1.0 109.917 171.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.52 -37.89 3.81 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.499 2.32 . . . . 1.0 113.856 172.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -64.98 -44.91 87.77 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.738 2.415 . . . . 1.0 112.765 171.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.51 98.75 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.39 1.076 . . . . 1.0 111.253 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -60.89 -46.54 90.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.495 -1.378 . . . . 1.0 111.783 171.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -53.95 -43.95 70.3 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 130.534 3.534 . . . . 1.0 112.271 171.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.63 -49.66 65.53 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 127.743 2.417 . . . . 1.0 113.286 172.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 t -58.66 -34.73 71.56 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 125.013 1.325 . . . . 1.0 113.734 172.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.93 -42.89 97.23 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 127.586 2.354 . . . . 1.0 111.734 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -81.34 -26.17 35.8 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 128.073 2.549 . . . . 1.0 115.804 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.0 mtm105 -137.42 149.8 47.18 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 126.563 1.945 . . . . 1.0 115.184 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.33 -31.98 48.96 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.527 1.531 . . . . 1.0 114.504 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -62.21 -22.8 66.22 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 131.18 3.792 . . . . 1.0 116.985 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -97.12 116.87 30.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.312 1.045 . . . . 1.0 112.822 -170.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -121.34 119.27 31.68 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.713 2.405 . . . . 1.0 110.908 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.31 0.1 OUTLIER -109.21 137.1 47.62 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 129.55 3.14 . . . . 1.0 117.659 -171.386 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -129.78 133.56 47.06 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.046 2.138 . . . . 1.0 111.353 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -108.01 124.07 49.62 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.015 1.326 . . . . 1.0 113.301 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.49 118.66 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 128.078 2.551 . . . . 1.0 110.37 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 0.0 OUTLIER -74.55 155.02 38.36 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 119.417 -2.052 . . . . 1.0 114.043 172.301 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -129.43 -51.68 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.407 1.483 . . . . 1.0 110.834 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -36.25 83.2 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.334 1.454 . . . . 1.0 112.349 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.82 -32.11 31.41 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 125.817 1.647 . . . . 1.0 113.957 172.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.78 -9.45 58.79 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 127.682 2.393 . . . . 1.0 116.481 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.79 19.63 39.75 Favored Glycine 0 CA--C 1.548 2.1 0 C-N-CA 125.824 1.678 . . . . 1.0 116.854 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.9 mt -118.71 156.74 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 128.92 2.888 . . . . 1.0 110.462 -173.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -142.74 167.98 20.79 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.935 1.828 . . . . 1.0 115.935 -171.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.57 -36.85 25.12 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.278 1.831 . . . . 1.0 113.305 172.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -63.8 -27.19 69.01 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.94 1.696 . . . . 1.0 113.301 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.34 -38.57 17.32 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.255 2.222 . . . . 1.0 113.253 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -67.34 -52.02 45.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.35 2.26 . . . . 1.0 113.043 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -44.43 -38.88 4.33 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 126.912 2.085 . . . . 1.0 114.859 175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -65.16 -65.31 0.69 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.704 2.402 . . . . 1.0 111.555 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -60.8 -21.65 63.34 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.614 1.965 . . . . 1.0 114.842 172.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.93 -17.23 51.22 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.627 2.371 . . . . 1.0 114.508 171.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.25 -38.06 0.68 Allowed Glycine 0 CA--C 1.542 1.739 0 C-N-CA 127.44 2.447 . . . . 1.0 114.275 -171.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -75.24 122.47 87.4 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 128.725 2.81 . . . . 1.0 111.046 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.75 77.39 0.38 Allowed 'Trans proline' 0 CA--C 1.55 1.321 0 C-N-CA 124.323 3.349 . . . . 1.0 111.474 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.3 m -68.36 154.38 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 126.183 1.793 . . . . 1.0 112.412 173.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -130.47 -18.28 3.21 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 126.815 2.046 . . . . 1.0 114.197 175.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.5 p -141.83 -178.64 5.77 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 130.479 3.511 . . . . 1.0 113.248 -173.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.12 167.0 14.39 Favored Pre-proline 0 N--CA 1.496 1.873 0 C-N-CA 126.324 1.85 . . . . 1.0 114.501 172.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.81 165.65 73.18 Favored 'Cis proline' 0 C--N 1.36 1.148 0 N-CA-C 114.73 1.012 . . . . 1.0 114.73 -5.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -136.7 80.55 1.82 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.235 2.614 . . . . 1.0 111.15 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.1 mt -111.05 151.69 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 128.561 2.745 . . . . 1.0 113.805 172.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -124.73 112.94 17.33 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.655 2.382 . . . . 1.0 109.324 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.0 t -107.86 127.81 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 125.908 1.683 . . . . 1.0 109.13 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 55.09 66.05 1.34 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 131.183 3.793 . . . . 1.0 110.01 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 57.22 3.32 0.15 Allowed 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 128.596 2.759 . . . . 1.0 116.771 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.88 159.82 40.97 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.795 2.038 . . . . 1.0 113.793 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.23 125.69 24.66 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.984 1.846 . . . . 1.0 115.984 -172.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.5 mm -140.53 97.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 129.756 3.223 . . . . 1.0 103.781 171.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -14.71 -59.01 0.01 OUTLIER Glycine 0 N--CA 1.476 1.348 0 C-N-CA 129.141 3.258 . . . . 1.0 117.659 -171.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.48 -147.87 19.17 Favored Glycine 0 C--O 1.221 -0.659 0 C-N-CA 126.421 1.962 . . . . 1.0 109.94 -172.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.443 ' CZ ' ' HB2' ' B' ' 140' ' ' ASP . 1.7 t80 -34.16 -50.13 0.39 Allowed 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 127.781 2.432 . . . . 1.0 111.994 -173.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -60.18 3.66 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 128.786 2.835 . . . . 1.0 115.322 170.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -51.43 43.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.088 2.155 . . . . 1.0 111.402 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -54.79 19.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.286 2.234 . . . . 1.0 114.194 172.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.19 -49.48 71.8 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.135 0.974 . . . . 1.0 112.249 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.72 95.73 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.375 1.07 . . . . 1.0 113.426 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -60.78 -53.11 61.42 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.191 2.196 . . . . 1.0 112.763 176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.9 t -56.58 -51.09 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 126.419 1.888 . . . . 1.0 111.137 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -55.07 -54.99 36.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.731 2.012 . . . . 1.0 112.942 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -13.05 1.58 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.67 2.388 . . . . 1.0 115.208 173.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -98.68 -59.9 1.65 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.166 2.186 . . . . 1.0 111.931 171.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.6 mt -78.37 -62.78 1.57 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.98 2.112 . . . . 1.0 113.427 -172.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.55 0.71 7.88 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 128.957 2.903 . . . . 1.0 114.805 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 C-N-CA 130.093 3.357 . . . . 1.0 113.662 -172.865 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.194 0 N-CA-C 108.919 -1.673 . . . . 1.0 108.919 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.38 107.61 8.19 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.054 1.742 . . . . 1.0 107.026 171.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -137.77 150.85 47.58 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.95 2.1 . . . . 1.0 111.189 -176.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -132.84 101.32 5.21 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 123.542 1.639 . . . . 1.0 114.482 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -139.9 87.58 2.17 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.96 2.104 . . . . 1.0 107.046 171.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.64 97.81 5.15 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.795 2.038 . . . . 1.0 107.284 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -106.75 87.82 2.61 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 123.047 1.403 . . . . 1.0 109.443 -172.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -57.96 110.11 0.86 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.954 2.102 . . . . 1.0 110.579 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.443 ' H ' ' CD1' ' B' ' 134' ' ' LEU . 0.0 OUTLIER -65.93 97.05 0.33 Allowed 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 121.747 0.784 . . . . 1.0 110.106 177.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . 0.302 14.5 p -87.38 -28.9 0.38 Allowed Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 127.101 2.16 . . . . 1.0 115.076 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -86.28 132.98 3.85 Favored 'Trans proline' 0 CA--C 1.548 1.212 0 C-N-CA 124.059 3.172 . . . . 1.0 108.121 170.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 59.8 p -91.08 107.25 19.08 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 123.442 1.591 . . . . 1.0 114.03 -171.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 46.5 pt -120.56 -4.35 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 130.543 3.537 . . . . 1.0 113.4 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -130.69 120.0 23.23 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 130.516 3.526 . . . . 1.0 108.406 173.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . 0.443 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 7.0 p-10 -135.33 97.96 3.84 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.711 1.004 . . . . 1.0 113.711 171.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -163.12 -148.14 0.13 Allowed 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 129.095 2.958 . . . . 1.0 109.475 171.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -53.06 -6.73 0.39 Allowed Glycine 0 CA--C 1.549 2.16 0 N-CA-C 118.969 2.347 . . . . 1.0 118.969 -176.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.1 t -64.76 127.79 33.03 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.742 2.417 . . . . 1.0 114.331 172.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.36 86.15 2.33 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 126.169 1.787 . . . . 1.0 110.832 172.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -136.2 151.0 49.25 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.518 1.927 . . . . 1.0 112.972 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 161.43 -4.15 0.08 OUTLIER Glycine 0 CA--C 1.538 1.478 0 C-N-CA 126.312 1.911 . . . . 1.0 117.23 171.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.02 18.25 1.63 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 128.34 2.656 . . . . 1.0 116.223 172.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.39 112.92 17.1 Favored 'General case' 0 CA--C 1.544 0.733 1 C-N-CA 132.316 4.246 . . . . 1.0 113.686 -171.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt 177.27 166.59 0.59 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 129.443 3.097 . . . . 1.0 112.332 -171.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.495 1.8 0 C-N-CA 128.356 2.662 . . . . 1.0 116.814 -175.3 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ttm . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.72 -0.181 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.36 124.11 51.75 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.029 1.332 . . . . 1.0 112.027 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.9 m -121.03 122.87 41.04 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 126.846 2.059 . . . . 1.0 111.953 -176.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.1 t -114.71 131.99 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 C-N-CA 126.8 2.04 . . . . 1.0 111.137 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mt -119.95 132.96 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.718 2.007 . . . . 1.0 111.577 -169.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -112.42 116.19 29.91 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.366 1.466 . . . . 1.0 113.855 -176.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.8 72.61 0.81 Allowed Glycine 0 N--CA 1.482 1.717 0 N-CA-C 120.457 2.943 . . . . 1.0 120.457 169.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -63.03 -38.47 91.32 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 126.298 1.839 . . . . 1.0 115.069 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -70.78 117.45 12.31 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.408 2.683 . . . . 1.0 115.057 -171.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.83 -7.11 17.51 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 119.267 2.467 . . . . 1.0 119.267 170.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -157.41 146.49 14.86 Favored Pre-proline 0 CA--C 1.556 1.206 0 CA-C-N 120.541 2.17 . . . . 1.0 115.426 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.72 -41.59 7.99 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 123.631 2.887 . . . . 1.0 114.544 -171.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.5 -37.94 85.5 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.119 0.968 . . . . 1.0 113.448 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -66.67 -38.72 87.4 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.591 1.156 . . . . 1.0 113.935 172.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.6 -54.09 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-O 118.137 -0.935 . . . . 1.0 110.83 170.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -55.47 -44.25 76.26 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.462 1.105 . . . . 1.0 111.495 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.0 69.7 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.225 1.41 . . . . 1.0 114.585 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -52.2 65.73 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.416 1.486 . . . . 1.0 113.058 174.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.82 -36.16 71.86 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.851 1.66 . . . . 1.0 114.463 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mp -62.15 -43.19 99.37 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.109 1.763 . . . . 1.0 113.747 169.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.03 99.22 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.428 1.091 . . . . 1.0 112.668 170.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -60.34 -44.38 95.58 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.158 1.383 . . . . 1.0 113.268 170.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -53.49 -55.61 23.93 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 128.337 2.655 . . . . 1.0 111.343 169.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.5 mt -53.36 -48.15 68.8 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 126.593 1.957 . . . . 1.0 113.482 171.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 t -62.9 -41.04 99.29 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.677 1.591 . . . . 1.0 114.674 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -40.81 95.69 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.684 1.594 . . . . 1.0 112.257 170.252 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -71.64 -29.26 64.44 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.596 2.359 . . . . 1.0 115.091 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -130.72 160.46 34.26 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 120.872 1.669 . . . . 1.0 115.079 -170.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -76.15 -40.7 52.02 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.505 2.322 . . . . 1.0 114.636 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -85.67 -15.02 43.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.182 2.193 . . . . 1.0 116.649 -170.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -96.32 97.05 9.17 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.429 1.892 . . . . 1.0 114.609 -168.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.61 129.11 44.07 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.794 1.637 . . . . 1.0 109.089 175.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.272 0.0 OUTLIER -110.03 139.14 45.46 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 115.18 1.548 . . . . 1.0 115.18 -177.061 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -126.45 140.47 52.45 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 128.394 2.678 . . . . 1.0 109.94 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -128.5 125.64 38.82 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.954 2.102 . . . . 1.0 112.791 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -120.92 114.61 44.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 129.177 2.991 . . . . 1.0 111.67 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.289 0.0 OUTLIER -69.93 86.66 0.53 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.839 2.456 . . . . 1.0 117.478 174.516 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.27 -35.71 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 119.82 -1.8 . . . . 1.0 112.784 174.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -77.56 5.93 8.12 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 127.349 2.26 . . . . 1.0 115.126 172.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.14 -47.36 1.62 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.594 1.558 . . . . 1.0 112.113 169.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.91 -15.79 34.87 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 127.916 2.486 . . . . 1.0 115.124 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.03 53.03 2.93 Favored Glycine 0 N--CA 1.484 1.835 0 C-N-CA 127.344 2.402 . . . . 1.0 115.478 170.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.1 mt -138.85 162.14 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 127.683 2.393 . . . . 1.0 113.472 -169.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -154.21 169.07 24.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 128.152 2.581 . . . . 1.0 114.137 -173.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -30.31 21.15 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 127.5 2.32 . . . . 1.0 115.781 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -68.05 -39.34 83.05 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 127.29 2.236 . . . . 1.0 111.176 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.49 -50.52 21.08 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.903 2.481 . . . . 1.0 112.131 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 mt -57.37 -47.07 82.62 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.031 1.732 . . . . 1.0 113.057 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -56.07 -27.97 55.66 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.086 1.513 . . . . 1.0 115.086 171.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -80.91 -58.62 3.0 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.995 1.718 . . . . 1.0 111.757 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -57.52 -34.51 69.19 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.286 1.434 . . . . 1.0 114.435 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.5 76.18 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 117.15 2.278 . . . . 1.0 117.15 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.0 16.63 66.69 Favored Glycine 0 CA--C 1.552 2.364 0 C-N-CA 124.584 1.087 . . . . 1.0 114.761 -169.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -126.8 126.81 24.5 Favored Pre-proline 0 N--CA 1.482 1.144 0 C-N-CA 130.84 3.656 . . . . 1.0 108.725 175.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.64 131.12 23.6 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 123.031 2.487 . . . . 1.0 111.223 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.3 m -128.77 166.43 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.251 1.82 . . . . 1.0 112.255 175.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -122.11 -48.81 2.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.681 1.192 . . . . 1.0 113.361 171.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 -175.27 3.87 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.6 2.76 . . . . 1.0 111.772 -171.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.77 158.89 70.12 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 119.984 -1.697 . . . . 1.0 111.201 171.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.77 170.56 70.11 Favored 'Cis proline' 0 CA--C 1.546 1.109 0 N-CA-C 114.984 1.109 . . . . 1.0 114.984 6.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -145.91 85.46 1.69 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.108 2.163 . . . . 1.0 110.358 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.2 mt -115.75 133.47 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 126.436 1.894 . . . . 1.0 113.392 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -110.05 97.41 6.91 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.833 2.053 . . . . 1.0 110.651 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 t -81.87 143.7 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 C-N-CA 124.807 1.243 . . . . 1.0 108.989 170.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 49.73 17.09 0.24 Allowed 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 116.583 2.068 . . . . 1.0 116.583 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.263 0.0 OUTLIER 72.76 12.14 5.34 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 130.535 3.534 . . . . 1.0 114.992 -169.48 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -91.77 141.29 28.83 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.516 3.126 . . . . 1.0 110.574 170.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -70.66 106.39 3.5 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.818 -1.176 . . . . 1.0 113.808 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.5 mm -99.12 168.79 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 C-N-CA 127.626 2.37 . . . . 1.0 107.599 168.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.17 -69.49 1.36 Allowed Glycine 0 CA--C 1.542 1.734 0 O-C-N 118.789 -2.444 . . . . 1.0 113.157 170.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.503 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 128.45 -137.78 9.91 Favored Glycine 0 N--CA 1.473 1.152 0 C-N-CA 128.388 2.899 . . . . 1.0 109.919 -169.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -30.7 -52.73 0.17 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 127.192 2.197 . . . . 1.0 116.138 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -64.02 0.95 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 126.754 2.022 . . . . 1.0 114.018 170.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.503 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.8 OUTLIER -65.05 -56.9 10.39 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 130.018 3.327 . . . . 1.0 111.035 -178.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -35.49 24.42 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 128.037 2.535 . . . . 1.0 114.976 177.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.87 -52.46 56.45 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.267 1.027 . . . . 1.0 112.631 170.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.24 97.45 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.216 1.406 . . . . 1.0 113.433 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -52.98 -50.38 64.25 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.221 2.608 . . . . 1.0 113.793 171.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 63.8 t -60.01 -51.27 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.62 1.168 . . . . 1.0 112.137 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -53.71 -51.65 62.59 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 126.969 2.108 . . . . 1.0 113.452 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -56.37 -13.09 1.96 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 129.176 2.991 . . . . 1.0 114.86 170.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -103.06 -45.07 5.04 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.659 2.384 . . . . 1.0 116.622 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.11 -30.85 13.84 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.538 2.051 . . . . 1.0 116.538 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -107.92 2.46 23.38 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 128.004 2.522 . . . . 1.0 115.58 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.29 0 C-N-CA 130.346 3.458 . . . . 1.0 115.713 178.486 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 N-CA-C 108.507 -1.837 . . . . 1.0 108.507 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.29 103.17 5.02 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 107.297 -1.371 . . . . 1.0 107.297 168.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.51 163.09 33.86 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.586 1.954 . . . . 1.0 115.249 -174.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -139.64 102.1 4.37 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.948 2.099 . . . . 1.0 112.418 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -97.69 91.9 5.62 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 126.623 1.969 . . . . 1.0 112.554 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.95 142.32 50.66 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.698 1.599 . . . . 1.0 114.442 172.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -126.53 101.61 6.74 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 127.485 2.314 . . . . 1.0 111.457 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -89.73 106.18 18.29 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 120.48 -1.387 . . . . 1.0 112.642 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -151.22 99.29 2.65 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.624 1.969 . . . . 1.0 113.87 171.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 72.7 t -56.18 -52.8 69.99 Favored Pre-proline 0 N--CA 1.49 1.531 0 C-N-CA 125.147 1.379 . . . . 1.0 110.642 169.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -80.12 92.4 1.1 Allowed 'Trans proline' 0 CA--C 1.554 1.509 0 C-N-CA 123.453 2.769 . . . . 1.0 109.419 168.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 76.6 p -89.51 105.5 17.84 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 122.32 1.057 . . . . 1.0 111.714 -176.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.81 85.79 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.444 1.897 . . . . 1.0 109.451 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -170.06 97.66 0.28 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 128.883 2.873 . . . . 1.0 108.264 169.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -136.18 94.43 3.03 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.729 1.212 . . . . 1.0 109.792 -176.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -162.95 141.67 8.5 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 115.937 1.829 . . . . 1.0 115.937 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 51.52 -2.2 0.01 OUTLIER Glycine 0 CA--C 1.551 2.315 0 N-CA-C 123.088 3.995 . . . . 1.0 123.088 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.1 t -95.45 135.23 37.35 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 117.699 2.481 . . . . 1.0 117.699 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -113.59 93.14 4.25 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 127.951 2.501 . . . . 1.0 111.278 170.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.54 159.58 43.59 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.204 1.402 . . . . 1.0 114.267 170.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 152.92 -14.39 0.67 Allowed Glycine 0 N--CA 1.476 1.361 0 N-CA-C 118.781 2.272 . . . . 1.0 118.781 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 51.27 26.46 3.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 116.431 2.011 . . . . 1.0 116.431 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.53 110.28 5.32 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 126.565 1.946 . . . . 1.0 109.156 175.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -179.48 143.43 0.19 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 129.47 3.108 . . . . 1.0 112.05 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.386 9.1 tp . . . . . 0 N--CA 1.479 1.009 1 C-N-CA 132.157 4.183 . . . . 1.0 117.882 171.648 . . . . . . . . 2 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -118.77 116.09 25.82 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.921 1.288 . . . . 1.0 111.156 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -117.38 116.2 26.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.489 1.516 . . . . 1.0 112.657 -169.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.97 131.8 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 126.327 1.851 . . . . 1.0 110.996 -173.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.44 118.82 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.145 2.178 . . . . 1.0 112.179 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -98.97 94.72 6.7 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.327 1.851 . . . . 1.0 113.308 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.31 77.89 0.99 Allowed Glycine 0 CA--C 1.545 1.946 0 C-N-CA 127.626 2.536 . . . . 1.0 118.804 169.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -68.2 -48.74 64.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 127.365 2.266 . . . . 1.0 114.266 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -61.25 143.31 55.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.781 1.633 . . . . 1.0 112.326 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.62 -7.07 9.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 128.067 2.746 . . . . 1.0 119.58 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -134.95 113.31 11.56 Favored Pre-proline 0 CA--C 1.562 1.406 0 CA-C-N 121.27 2.535 . . . . 1.0 115.484 172.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -62.57 -33.44 78.14 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 125.269 3.979 . . . . 1.0 115.725 -170.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.02 -36.73 77.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.851 0.86 . . . . 1.0 111.851 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -65.19 -38.59 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.027 2.131 . . . . 1.0 113.689 170.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.82 -54.15 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.856 1.262 . . . . 1.0 112.009 172.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -55.13 -43.92 74.57 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.221 0.918 . . . . 1.0 110.925 174.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.35 77.94 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 114.528 1.307 . . . . 1.0 114.528 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.498 ' HZ3' ' CD ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -57.79 -58.0 10.29 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.292 1.837 . . . . 1.0 112.452 171.351 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -35.6 71.73 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.81 1.644 . . . . 1.0 114.844 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.54 -43.06 99.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.432 1.493 . . . . 1.0 112.752 168.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.53 97.27 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.986 -1.072 . . . . 1.0 112.199 169.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.498 ' CD ' ' HZ3' ' A' ' 18' ' ' LYS . 23.5 tt0 -60.53 -43.79 96.79 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 1.0 113.774 170.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -51.68 -55.6 18.54 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 128.204 2.601 . . . . 1.0 110.616 170.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.13 -43.81 98.31 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.912 1.685 . . . . 1.0 112.968 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -59.72 -47.33 86.07 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.786 1.635 . . . . 1.0 113.883 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -41.3 81.74 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.584 1.954 . . . . 1.0 112.143 169.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.13 -35.47 48.99 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.218 2.607 . . . . 1.0 114.768 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -121.12 173.13 7.48 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 127.229 2.212 . . . . 1.0 115.685 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -92.17 -40.61 10.91 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 128.988 2.915 . . . . 1.0 115.366 -176.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.33 -11.78 48.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.283 2.633 . . . . 1.0 116.908 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -95.75 109.11 21.47 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.028 1.331 . . . . 1.0 114.589 -168.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -123.19 134.42 54.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.907 2.883 . . . . 1.0 112.022 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.279 0.1 OUTLIER -112.52 141.03 46.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.827 2.851 . . . . 1.0 114.534 -172.411 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -126.39 132.18 51.59 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.331 1.852 . . . . 1.0 108.859 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -124.14 125.34 44.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.943 1.697 . . . . 1.0 112.672 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -130.19 113.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 127.632 2.373 . . . . 1.0 111.168 -175.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.01 99.66 0.89 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.888 1.81 . . . . 1.0 115.888 173.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.96 -39.11 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 119.409 -2.057 . . . . 1.0 112.527 174.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -69.18 -10.56 58.3 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 127.3 2.24 . . . . 1.0 115.282 171.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.68 -44.82 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 119.95 1.25 . . . . 1.0 113.261 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -35.48 78.35 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.349 1.86 . . . . 1.0 113.047 170.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.72 46.73 1.02 Allowed Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.597 2.522 . . . . 1.0 115.723 171.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -124.57 159.34 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 129.213 3.005 . . . . 1.0 110.785 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 163.61 36.55 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.592 1.557 . . . . 1.0 114.543 -171.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -17.87 24.09 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 116.267 1.951 . . . . 1.0 116.267 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.41 -30.73 63.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.22 2.608 . . . . 1.0 112.323 171.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -86.36 -48.32 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.253 2.621 . . . . 1.0 112.861 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -55.05 -38.28 67.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.913 1.285 . . . . 1.0 113.797 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -62.84 -12.36 24.16 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 126.816 2.046 . . . . 1.0 115.39 170.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -101.12 -50.79 3.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 128.758 2.823 . . . . 1.0 110.574 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -50.92 -43.24 59.92 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 126.665 1.986 . . . . 1.0 114.197 171.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.05 60.45 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.186 2.194 . . . . 1.0 116.434 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.46 48.39 11.74 Favored Glycine 0 N--CA 1.479 1.544 0 C-N-CA 125.186 1.374 . . . . 1.0 110.58 -168.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 132.61 8.0 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.811 1.644 . . . . 1.0 113.23 -168.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.75 92.01 0.51 Allowed 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 123.592 2.861 . . . . 1.0 110.918 172.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.26 159.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 127.388 2.275 . . . . 1.0 110.589 172.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -132.67 -26.49 1.79 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.512 1.125 . . . . 1.0 112.815 169.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 p -123.12 178.12 5.24 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 127.963 2.505 . . . . 1.0 113.408 -172.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.08 161.16 32.01 Favored Pre-proline 0 N--CA 1.486 1.341 0 C-N-CA 127.372 2.269 . . . . 1.0 111.426 170.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.61 165.79 82.43 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 N-CA-C 115.087 1.149 . . . . 1.0 115.087 1.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -138.41 81.19 1.84 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.79 2.436 . . . . 1.0 110.912 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.7 mt -113.63 151.98 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 127.833 2.453 . . . . 1.0 113.405 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -133.48 104.73 6.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.029 2.132 . . . . 1.0 109.471 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -89.06 124.6 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 126.115 1.766 . . . . 1.0 109.589 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.447 0.0 OUTLIER 40.94 45.7 2.25 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 127.639 2.375 . . . . 1.0 113.023 -170.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 71.32 4.21 4.97 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 130.23 3.412 . . . . 1.0 117.688 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.13 132.25 43.1 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 127.765 2.426 . . . . 1.0 111.131 173.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.26 107.26 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.029 -1.044 . . . . 1.0 113.171 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.8 mm -122.44 89.52 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 128.103 2.561 . . . . 1.0 105.484 169.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.18 -55.75 0.01 OUTLIER Glycine 0 CA--C 1.539 1.567 0 C-N-CA 129.247 3.308 . . . . 1.0 118.212 -170.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.31 -144.15 15.69 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.791 2.615 . . . . 1.0 111.517 -175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -30.39 -43.32 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 128.378 2.671 . . . . 1.0 116.097 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 t -64.66 -63.8 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.815 2.046 . . . . 1.0 115.13 169.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -55.13 36.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.751 2.82 . . . . 1.0 114.192 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -51.72 -39.95 59.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 129.631 3.172 . . . . 1.0 113.389 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.38 67.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.176 1.39 . . . . 1.0 113.117 171.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.04 90.59 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.735 1.214 . . . . 1.0 112.346 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -56.06 -54.37 45.83 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.569 1.947 . . . . 1.0 113.44 173.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.17 -46.7 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.214 1.006 . . . . 1.0 112.544 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -58.45 -52.02 67.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.914 1.285 . . . . 1.0 113.134 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.84 -12.09 9.83 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.461 1.652 . . . . 1.0 115.461 171.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -97.74 -52.96 3.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.87 1.668 . . . . 1.0 111.782 171.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.1 mt -85.98 -30.07 23.03 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.359 1.985 . . . . 1.0 116.359 -172.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.62 6.85 42.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 126.649 1.98 . . . . 1.0 114.26 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 126.981 2.112 . . . . 1.0 113.574 173.818 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 108.473 -1.851 . . . . 1.0 108.473 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -141.16 102.27 4.2 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.835 1.318 . . . . 1.0 109.733 167.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -141.77 116.48 9.75 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.991 3.716 . . . . 1.0 105.653 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.42 144.04 22.59 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 119.08 2.993 . . . . 1.0 119.08 -169.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -137.56 95.12 3.01 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 129.565 3.146 . . . . 1.0 110.046 173.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 101.82 11.48 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.899 2.08 . . . . 1.0 109.692 -176.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -100.7 85.71 2.97 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.687 1.995 . . . . 1.0 114.399 -168.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.91 121.06 20.37 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 125.639 1.576 . . . . 1.0 112.56 171.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -148.03 96.81 2.7 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.183 1.793 . . . . 1.0 112.977 171.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 66.8 t -56.01 -48.43 96.76 Favored Pre-proline 0 N--CA 1.497 1.923 0 C-N-CA 125.1 1.36 . . . . 1.0 111.633 171.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -84.22 87.35 1.16 Allowed 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.293 2.662 . . . . 1.0 108.907 168.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 85.0 p -88.37 103.29 15.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 124.459 2.076 . . . . 1.0 110.414 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 1.1 mp -140.06 120.14 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 113.149 -1.841 . . . . 1.0 113.745 -168.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -166.99 96.0 0.5 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 131.071 3.748 . . . . 1.0 104.859 166.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -129.67 93.68 3.58 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 105.005 -2.22 . . . . 1.0 105.005 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -161.22 -1.01 0.05 Allowed 'General case' 0 CA--C 1.56 1.331 0 N-CA-C 115.221 1.563 . . . . 1.0 115.221 -169.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.21 93.46 1.03 Allowed Glycine 0 N--CA 1.48 1.578 0 C-N-CA 126.796 2.141 . . . . 1.0 112.306 -171.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.3 t -163.48 112.68 1.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 127.354 2.261 . . . . 1.0 111.357 -170.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -126.12 129.89 49.96 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 126.574 1.95 . . . . 1.0 114.059 -172.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 167.52 1.17 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 127.652 2.381 . . . . 1.0 115.453 170.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.94 -13.85 3.34 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 119.864 2.706 . . . . 1.0 119.864 168.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.19 34.89 9.26 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.679 1.74 . . . . 1.0 114.584 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 144.04 51.87 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 126.725 2.01 . . . . 1.0 115.197 -168.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 172.61 0.98 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 130.712 3.605 . . . . 1.0 112.195 -171.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.495 1.799 0 C-N-CA 128.466 2.706 . . . . 1.0 114.147 171.487 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -118.77 116.09 25.82 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.921 1.288 . . . . 1.0 111.156 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -117.38 116.2 26.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.489 1.516 . . . . 1.0 112.657 -169.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.97 131.8 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 126.327 1.851 . . . . 1.0 110.996 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.44 118.82 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.145 2.178 . . . . 1.0 112.179 -169.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -98.97 94.72 6.7 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.327 1.851 . . . . 1.0 113.308 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.31 77.89 0.99 Allowed Glycine 0 CA--C 1.545 1.946 0 C-N-CA 127.626 2.536 . . . . 1.0 118.804 169.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -68.2 -48.74 64.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 127.365 2.266 . . . . 1.0 114.266 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -61.25 143.31 55.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.781 1.633 . . . . 1.0 112.326 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.62 -7.07 9.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 128.067 2.746 . . . . 1.0 119.58 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -134.95 113.31 11.56 Favored Pre-proline 0 CA--C 1.562 1.406 0 CA-C-N 121.27 2.535 . . . . 1.0 115.484 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -62.57 -33.44 78.14 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 125.269 3.979 . . . . 1.0 115.725 -170.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.02 -36.73 77.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.851 0.86 . . . . 1.0 111.851 174.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -65.19 -38.59 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.027 2.131 . . . . 1.0 113.689 170.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.82 -54.15 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.856 1.262 . . . . 1.0 112.009 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -55.13 -43.92 74.57 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.221 0.918 . . . . 1.0 110.925 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.35 77.94 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 114.528 1.307 . . . . 1.0 114.528 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.498 ' HZ3' ' CD ' ' A' ' 22' ' ' GLU . 0.6 OUTLIER -57.79 -58.0 10.29 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.292 1.837 . . . . 1.0 112.452 171.351 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -35.6 71.73 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.81 1.644 . . . . 1.0 114.844 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.54 -43.06 99.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.432 1.493 . . . . 1.0 112.752 168.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.53 97.27 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.986 -1.072 . . . . 1.0 112.199 169.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.498 ' CD ' ' HZ3' ' A' ' 18' ' ' LYS . 23.5 tt0 -60.53 -43.79 96.79 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 1.0 113.774 170.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -51.68 -55.6 18.54 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 128.204 2.601 . . . . 1.0 110.616 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.13 -43.81 98.31 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.912 1.685 . . . . 1.0 112.968 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -59.72 -47.33 86.07 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.786 1.635 . . . . 1.0 113.883 174.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -41.3 81.74 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.584 1.954 . . . . 1.0 112.143 169.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.13 -35.47 48.99 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.218 2.607 . . . . 1.0 114.768 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -121.12 173.13 7.48 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 127.229 2.212 . . . . 1.0 115.685 -170.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -92.17 -40.61 10.91 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 128.988 2.915 . . . . 1.0 115.366 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.33 -11.78 48.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.283 2.633 . . . . 1.0 116.908 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -95.75 109.11 21.47 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.028 1.331 . . . . 1.0 114.589 -168.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -123.19 134.42 54.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.907 2.883 . . . . 1.0 112.022 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.279 0.1 OUTLIER -112.52 141.03 46.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.827 2.851 . . . . 1.0 114.534 -172.411 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -126.39 132.18 51.59 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.331 1.852 . . . . 1.0 108.859 172.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -124.14 125.34 44.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.943 1.697 . . . . 1.0 112.672 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -130.19 113.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 127.632 2.373 . . . . 1.0 111.168 -175.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.01 99.66 0.89 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.888 1.81 . . . . 1.0 115.888 173.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.96 -39.11 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 119.409 -2.057 . . . . 1.0 112.527 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -69.18 -10.56 58.3 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 127.3 2.24 . . . . 1.0 115.282 171.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.68 -44.82 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 119.95 1.25 . . . . 1.0 113.261 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -35.48 78.35 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.349 1.86 . . . . 1.0 113.047 170.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.72 46.73 1.02 Allowed Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.597 2.522 . . . . 1.0 115.723 171.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -124.57 159.34 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 129.213 3.005 . . . . 1.0 110.785 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 163.61 36.55 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.592 1.557 . . . . 1.0 114.543 -171.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -17.87 24.09 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 116.267 1.951 . . . . 1.0 116.267 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.41 -30.73 63.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.22 2.608 . . . . 1.0 112.323 171.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -86.36 -48.32 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.253 2.621 . . . . 1.0 112.861 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -55.05 -38.28 67.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.913 1.285 . . . . 1.0 113.797 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -62.84 -12.36 24.16 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 126.816 2.046 . . . . 1.0 115.39 170.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -101.12 -50.79 3.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 128.758 2.823 . . . . 1.0 110.574 173.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -50.92 -43.24 59.92 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 126.665 1.986 . . . . 1.0 114.197 171.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.05 60.45 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.186 2.194 . . . . 1.0 116.434 172.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.46 48.39 11.74 Favored Glycine 0 N--CA 1.479 1.544 0 C-N-CA 125.186 1.374 . . . . 1.0 110.58 -168.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 132.61 8.0 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.811 1.644 . . . . 1.0 113.23 -168.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.75 92.01 0.51 Allowed 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 123.592 2.861 . . . . 1.0 110.918 172.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.26 159.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 127.388 2.275 . . . . 1.0 110.589 172.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -132.67 -26.49 1.79 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.512 1.125 . . . . 1.0 112.815 169.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 p -123.12 178.12 5.24 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 127.963 2.505 . . . . 1.0 113.408 -172.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.08 161.16 32.01 Favored Pre-proline 0 N--CA 1.486 1.341 0 C-N-CA 127.372 2.269 . . . . 1.0 111.426 170.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.61 165.79 82.43 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 N-CA-C 115.087 1.149 . . . . 1.0 115.087 1.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -138.41 81.19 1.84 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.79 2.436 . . . . 1.0 110.912 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.7 mt -113.63 151.98 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 127.833 2.453 . . . . 1.0 113.405 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -133.48 104.73 6.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.029 2.132 . . . . 1.0 109.471 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -89.06 124.6 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 126.115 1.766 . . . . 1.0 109.589 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.447 0.0 OUTLIER 40.94 45.7 2.25 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 127.639 2.375 . . . . 1.0 113.023 -170.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 71.32 4.21 4.97 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 130.23 3.412 . . . . 1.0 117.688 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.13 132.25 43.1 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 127.765 2.426 . . . . 1.0 111.131 173.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.26 107.26 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.029 -1.044 . . . . 1.0 113.171 175.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.8 mm -122.44 89.52 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 128.103 2.561 . . . . 1.0 105.484 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.18 -55.75 0.01 OUTLIER Glycine 0 CA--C 1.539 1.567 0 C-N-CA 129.247 3.308 . . . . 1.0 118.212 -170.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.31 -144.15 15.69 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.791 2.615 . . . . 1.0 111.517 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -30.39 -43.32 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 128.378 2.671 . . . . 1.0 116.097 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 t -64.66 -63.8 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.815 2.046 . . . . 1.0 115.13 169.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -55.13 36.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.751 2.82 . . . . 1.0 114.192 176.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -51.72 -39.95 59.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 129.631 3.172 . . . . 1.0 113.389 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.38 67.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.176 1.39 . . . . 1.0 113.117 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.04 90.59 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.735 1.214 . . . . 1.0 112.346 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -56.06 -54.37 45.83 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.569 1.947 . . . . 1.0 113.44 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.17 -46.7 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.214 1.006 . . . . 1.0 112.544 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -58.45 -52.02 67.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.914 1.285 . . . . 1.0 113.134 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.84 -12.09 9.83 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.461 1.652 . . . . 1.0 115.461 171.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -97.74 -52.96 3.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.87 1.668 . . . . 1.0 111.782 171.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.1 mt -85.98 -30.07 23.03 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.359 1.985 . . . . 1.0 116.359 -172.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.62 6.85 42.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 126.649 1.98 . . . . 1.0 114.26 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 126.981 2.112 . . . . 1.0 113.574 173.818 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 108.473 -1.851 . . . . 1.0 108.473 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -141.16 102.27 4.2 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.835 1.318 . . . . 1.0 109.733 167.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -141.77 116.48 9.75 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.991 3.716 . . . . 1.0 105.653 169.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.42 144.04 22.59 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 119.08 2.993 . . . . 1.0 119.08 -169.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -137.56 95.12 3.01 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 129.565 3.146 . . . . 1.0 110.046 173.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 101.82 11.48 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.899 2.08 . . . . 1.0 109.692 -176.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -100.7 85.71 2.97 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.687 1.995 . . . . 1.0 114.399 -168.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.91 121.06 20.37 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 125.639 1.576 . . . . 1.0 112.56 171.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -148.03 96.81 2.7 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.183 1.793 . . . . 1.0 112.977 171.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 66.8 t -56.01 -48.43 96.76 Favored Pre-proline 0 N--CA 1.497 1.923 0 C-N-CA 125.1 1.36 . . . . 1.0 111.633 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -84.22 87.35 1.16 Allowed 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.293 2.662 . . . . 1.0 108.907 168.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 85.0 p -88.37 103.29 15.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 124.459 2.076 . . . . 1.0 110.414 -172.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 1.1 mp -140.06 120.14 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 113.149 -1.841 . . . . 1.0 113.745 -168.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -166.99 96.0 0.5 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 131.071 3.748 . . . . 1.0 104.859 166.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -129.67 93.68 3.58 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 105.005 -2.22 . . . . 1.0 105.005 173.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -161.22 -1.01 0.05 Allowed 'General case' 0 CA--C 1.56 1.331 0 N-CA-C 115.221 1.563 . . . . 1.0 115.221 -169.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.21 93.46 1.03 Allowed Glycine 0 N--CA 1.48 1.578 0 C-N-CA 126.796 2.141 . . . . 1.0 112.306 -171.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.3 t -163.48 112.68 1.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 127.354 2.261 . . . . 1.0 111.357 -170.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -126.12 129.89 49.96 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 126.574 1.95 . . . . 1.0 114.059 -172.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 167.52 1.17 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 127.652 2.381 . . . . 1.0 115.453 170.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.94 -13.85 3.34 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 119.864 2.706 . . . . 1.0 119.864 168.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.19 34.89 9.26 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.679 1.74 . . . . 1.0 114.584 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 144.04 51.87 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 126.725 2.01 . . . . 1.0 115.197 -168.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 172.61 0.98 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 130.712 3.605 . . . . 1.0 112.195 -171.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.495 1.799 0 C-N-CA 128.466 2.706 . . . . 1.0 114.147 171.487 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 4.3 ttm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.025 -0.036 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.54 111.41 17.64 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 124.262 1.025 . . . . 1.0 113.039 -177.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.5 m -110.05 116.06 30.89 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 125.915 1.686 . . . . 1.0 112.446 -170.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 t -109.78 117.53 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 127.419 2.288 . . . . 1.0 110.979 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mp -106.97 123.43 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 127.132 2.173 . . . . 1.0 112.228 -173.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -101.09 101.8 12.63 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.478 1.911 . . . . 1.0 112.949 -174.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.75 69.47 1.4 Allowed Glycine 0 CA--C 1.534 1.224 0 N-CA-C 118.108 2.003 . . . . 1.0 118.108 170.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -61.13 -46.0 92.36 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.804 2.041 . . . . 1.0 113.352 171.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 t -65.56 108.72 2.12 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.817 2.847 . . . . 1.0 114.047 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.59 -4.32 23.08 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 126.681 2.086 . . . . 1.0 118.013 171.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 p -148.51 122.52 4.79 Favored Pre-proline 0 CA--C 1.563 1.46 0 CA-C-N 120.275 2.038 . . . . 1.0 114.466 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.34 -32.45 50.63 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 124.421 3.414 . . . . 1.0 114.796 -173.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -58.5 -38.92 78.69 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.244 1.417 . . . . 1.0 112.259 172.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -67.73 -43.81 79.07 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.952 1.701 . . . . 1.0 113.553 170.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -54.08 -53.97 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 CA-C-O 117.673 -1.156 . . . . 1.0 111.569 172.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -59.16 -44.44 92.12 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 119.272 0.942 . . . . 1.0 112.243 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.31 77.62 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 124.166 0.986 . . . . 1.0 113.496 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -61.4 2.53 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.925 1.29 . . . . 1.0 111.459 170.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.85 -39.15 58.4 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.986 2.114 . . . . 1.0 114.258 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -58.27 -45.43 87.88 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 126.283 1.833 . . . . 1.0 112.626 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.8 95.55 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.158 1.383 . . . . 1.0 112.926 170.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -59.98 -46.37 89.66 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.025 -1.047 . . . . 1.0 112.998 171.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -53.08 -52.91 57.08 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 126.509 1.924 . . . . 1.0 112.365 171.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.85 -41.96 92.59 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.285 1.434 . . . . 1.0 112.999 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -61.6 -37.63 84.61 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 172.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -41.59 97.41 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.373 1.469 . . . . 1.0 112.073 169.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -75.75 -34.36 60.27 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 128.514 2.725 . . . . 1.0 115.949 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -114.94 168.01 10.29 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 116.189 1.922 . . . . 1.0 116.189 -169.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -77.33 -52.0 9.9 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.447 2.299 . . . . 1.0 112.514 170.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -76.67 -18.09 58.76 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 128.565 2.746 . . . . 1.0 118.049 -172.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -95.14 112.62 24.3 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.703 1.371 . . . . 1.0 114.703 -168.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -126.23 133.66 51.43 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 127.834 2.454 . . . . 1.0 112.412 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.288 0.1 OUTLIER -114.58 140.25 48.94 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 117.189 2.292 . . . . 1.0 117.189 -170.286 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -126.67 134.29 50.75 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 127.306 2.242 . . . . 1.0 110.215 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -114.59 123.37 49.18 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.016 1.726 . . . . 1.0 112.544 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.84 115.72 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 128.921 2.889 . . . . 1.0 111.103 -177.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.71 94.28 1.01 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.035 1.865 . . . . 1.0 116.035 172.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.48 -43.07 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.405 -1.435 . . . . 1.0 112.159 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -68.85 -4.6 16.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.392 2.277 . . . . 1.0 115.12 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.64 -26.9 2.19 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 117.14 2.274 . . . . 1.0 117.14 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -10.72 59.81 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 120.68 1.582 . . . . 1.0 113.291 169.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.21 56.35 1.71 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 127.504 2.478 . . . . 1.0 113.854 177.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.6 mt -134.5 148.22 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 127.523 2.329 . . . . 1.0 111.924 -174.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -143.26 165.81 26.44 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.652 2.381 . . . . 1.0 112.403 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -27.66 8.52 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.673 1.989 . . . . 1.0 115.784 174.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -67.8 -42.0 82.27 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.654 1.981 . . . . 1.0 112.188 173.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -67.89 -52.5 35.72 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.943 1.697 . . . . 1.0 110.976 170.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.9 mt -54.92 -45.5 74.78 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.575 1.55 . . . . 1.0 114.496 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -61.2 -19.65 61.86 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.885 1.439 . . . . 1.0 114.885 172.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -89.74 -54.95 3.83 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 127.488 2.315 . . . . 1.0 111.961 170.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -46.16 -45.98 16.99 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 127.514 2.326 . . . . 1.0 113.474 171.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.03 -14.02 60.56 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 116.738 2.125 . . . . 1.0 116.738 174.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.95 42.28 6.4 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.007 1.765 . . . . 1.0 112.584 -169.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.97 132.65 14.96 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.97 2.108 . . . . 1.0 111.015 -169.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.54 67.83 2.17 Favored 'Trans proline' 0 CA--C 1.551 1.355 0 C-N-CA 124.137 3.225 . . . . 1.0 114.298 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.1 m -90.66 165.32 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 C-N-CA 126.768 2.027 . . . . 1.0 112.702 175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -135.99 -50.37 0.7 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 125.329 1.451 . . . . 1.0 111.278 168.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.7 p -105.54 -177.19 3.29 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 126.738 2.015 . . . . 1.0 115.234 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.36 155.03 39.23 Favored Pre-proline 0 N--CA 1.495 1.817 0 C-N-CA 127.477 2.311 . . . . 1.0 112.615 177.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.74 169.05 71.69 Favored 'Cis proline' 0 CA--C 1.543 0.939 0 N-CA-C 115.005 1.117 . . . . 1.0 115.005 8.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -144.02 96.63 2.92 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.904 2.081 . . . . 1.0 110.313 171.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.3 mt -117.26 153.43 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 C-N-CA 128.852 2.861 . . . . 1.0 113.831 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -128.3 107.05 9.45 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.987 2.115 . . . . 1.0 109.629 174.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.8 t -90.87 127.08 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 126.265 1.826 . . . . 1.0 109.496 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.45 0.0 OUTLIER 45.87 39.99 6.09 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.396 1.879 . . . . 1.0 114.498 -169.112 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 64.34 6.72 3.17 Favored 'General case' 0 CA--C 1.568 1.672 0 C-N-CA 129.071 2.948 . . . . 1.0 115.955 -173.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -92.23 138.04 31.86 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.651 2.78 . . . . 1.0 111.16 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -61.43 108.63 0.98 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.489 -1.382 . . . . 1.0 113.158 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.7 mm -127.98 96.37 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 127.842 2.457 . . . . 1.0 106.453 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -21.91 -55.13 0.02 OUTLIER Glycine 0 CA--C 1.545 1.925 0 C-N-CA 128.77 3.081 . . . . 1.0 119.046 -170.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -139.83 11.27 Favored Glycine 0 N--CA 1.476 1.323 0 C-N-CA 128.014 2.721 . . . . 1.0 112.958 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -31.5 -40.61 0.04 OUTLIER 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 128.602 2.761 . . . . 1.0 116.35 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.472 ' HB ' ' H ' ' B' ' 143' ' ' SER . 0.0 OUTLIER -67.43 -65.01 0.74 Allowed 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 126.936 2.095 . . . . 1.0 113.939 168.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -48.06 58.16 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 131.637 3.975 . . . . 1.0 113.11 -168.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -54.2 -48.44 71.0 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 130.63 3.572 . . . . 1.0 113.394 171.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.56 -52.94 61.45 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.176 1.79 . . . . 1.0 112.674 172.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.79 -43.28 65.77 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.85 1.26 . . . . 1.0 113.568 171.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -60.18 -53.62 55.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.374 2.27 . . . . 1.0 113.61 170.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.2 t -50.94 -47.87 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.597 1.159 . . . . 1.0 111.491 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -60.57 -39.12 86.85 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.717 2.007 . . . . 1.0 114.322 173.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.91 -12.38 24.82 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 126.546 1.938 . . . . 1.0 113.846 168.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -103.25 -60.64 1.52 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.729 2.012 . . . . 1.0 113.624 169.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.3 mt -72.23 -28.64 63.29 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.012 2.125 . . . . 1.0 115.76 -172.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -109.27 6.65 24.76 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.168 1.787 . . . . 1.0 115.17 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.432 0 N-CA-C 117.724 2.49 . . . . 1.0 117.724 -170.665 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.41 ' H1 ' ' CD ' ' B' ' 128' ' ' GLU . . . . . . . . 0 N--CA 1.471 0.982 0 N-CA-C 105.073 -3.211 . . . . 1.0 105.073 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.54 101.94 4.34 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 106.187 -1.783 . . . . 1.0 106.187 167.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.41 ' CD ' ' H1 ' ' B' ' 126' ' ' GLY . 0.8 OUTLIER -142.28 118.36 10.68 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.816 2.447 . . . . 1.0 111.541 -174.139 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -129.48 142.34 50.8 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 114.287 1.217 . . . . 1.0 114.287 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -142.88 95.37 2.76 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 128.108 2.563 . . . . 1.0 109.514 170.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.67 143.18 35.15 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 116.246 1.943 . . . . 1.0 116.246 -168.559 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -131.24 94.53 3.59 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.992 1.717 . . . . 1.0 113.909 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -95.76 107.75 20.0 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 123.656 1.694 . . . . 1.0 112.937 171.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.53 95.54 2.76 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 128.51 2.724 . . . . 1.0 109.522 174.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.52 -51.61 71.38 Favored Pre-proline 0 N--CA 1.495 1.813 0 C-N-CA 125.156 1.382 . . . . 1.0 111.165 173.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -75.09 74.38 4.07 Favored 'Trans proline' 0 CA--C 1.552 1.419 0 C-N-CA 123.089 2.526 . . . . 1.0 109.885 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 65.1 p -87.58 102.59 14.75 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 122.472 1.13 . . . . 1.0 110.231 -171.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 2.8 mp -128.56 103.11 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 128.6 2.76 . . . . 1.0 108.634 -175.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.9 94.77 2.39 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.75 2.02 . . . . 1.0 106.593 168.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -142.84 93.16 2.48 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.707 1.203 . . . . 1.0 109.266 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -163.75 -3.64 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.433 2.012 . . . . 1.0 116.433 -170.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.62 92.44 0.13 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.469 1.033 . . . . 1.0 115.233 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 143' ' ' SER . . . . . 0.472 ' H ' ' HB ' ' A' ' 73' ' ' THR . 5.1 t -168.89 140.86 2.61 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.363 1.865 . . . . 1.0 111.498 169.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -123.9 110.5 14.92 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 127.463 2.305 . . . . 1.0 109.578 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.7 t -155.41 153.78 30.91 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.531 1.932 . . . . 1.0 114.816 172.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 135.84 -10.02 4.24 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 127.298 2.38 . . . . 1.0 117.385 169.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 49.65 36.36 10.49 Favored 'General case' 0 CA--C 1.561 1.401 0 CA-C-N 120.033 1.916 . . . . 1.0 115.534 169.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 137.1 50.26 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 126.331 1.852 . . . . 1.0 113.463 -169.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -179.55 173.21 1.08 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 130.528 3.531 . . . . 1.0 111.574 -172.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.492 1.646 0 C-N-CA 128.97 2.908 . . . . 1.0 114.232 172.853 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ttm . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 119.091 -0.48 . . . . 1.0 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -106.56 118.87 37.79 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.167 1.787 . . . . 1.0 113.11 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.0 m -112.17 110.23 20.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.42 -1.425 . . . . 1.0 111.242 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.03 119.1 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 126.69 1.996 . . . . 1.0 111.033 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.04 132.62 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 126.265 1.826 . . . . 1.0 113.171 -170.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -109.95 97.7 7.16 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.613 1.965 . . . . 1.0 114.103 -172.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.03 87.95 1.14 Allowed Glycine 0 CA--C 1.548 2.141 0 N-CA-C 119.783 2.673 . . . . 1.0 119.783 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -68.41 -45.97 71.21 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 125.641 1.577 . . . . 1.0 112.091 168.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -61.61 98.02 0.08 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 128.784 2.834 . . . . 1.0 115.568 -169.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.02 -27.21 2.31 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 126.739 2.114 . . . . 1.0 117.521 170.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -149.65 135.57 10.18 Favored Pre-proline 0 CA--C 1.56 1.354 0 CA-C-N 119.752 1.776 . . . . 1.0 115.263 -170.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.2 -32.44 42.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 123.944 3.096 . . . . 1.0 115.703 -170.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -41.9 73.86 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.292 1.437 . . . . 1.0 111.839 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t -60.54 -42.97 97.61 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.527 1.531 . . . . 1.0 112.78 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.3 -54.19 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 124.15 0.98 . . . . 1.0 110.718 169.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 0.254 36.6 mtm-85 -59.23 -39.15 81.84 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.695 1.198 . . . . 1.0 113.177 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.74 70.48 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.339 1.455 . . . . 1.0 113.582 171.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -54.71 24.77 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.129 1.372 . . . . 1.0 113.039 170.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.14 -39.42 56.26 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.736 2.014 . . . . 1.0 113.404 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.38 -43.26 74.98 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.61 1.964 . . . . 1.0 114.112 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.51 99.74 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.065 1.346 . . . . 1.0 113.74 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.21 -41.87 99.21 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 126.114 1.765 . . . . 1.0 113.683 171.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -53.51 -50.47 65.35 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 129.452 3.101 . . . . 1.0 111.481 169.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.87 -44.18 93.85 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.683 1.993 . . . . 1.0 114.386 170.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t -66.04 -32.3 73.69 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 115.294 1.59 . . . . 1.0 115.294 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -68.4 -45.33 72.93 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 119.031 0.832 . . . . 1.0 110.869 168.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.73 -27.96 69.26 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 128.371 2.668 . . . . 1.0 114.065 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -138.98 148.32 43.34 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 126.796 2.039 . . . . 1.0 115.416 -170.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.78 -36.61 36.83 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.395 1.257 . . . . 1.0 114.395 175.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -58.06 -30.37 66.13 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 128.047 2.539 . . . . 1.0 114.901 170.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -95.28 97.35 9.8 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 122.792 1.282 . . . . 1.0 112.831 -168.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -96.44 124.3 40.39 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 130.162 3.385 . . . . 1.0 108.65 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.34 136.95 54.53 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.419 -1.426 . . . . 1.0 113.315 -172.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -129.64 131.17 46.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.566 1.946 . . . . 1.0 110.355 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -115.98 123.57 48.35 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.288 1.035 . . . . 1.0 112.279 174.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.59 116.71 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 128.835 2.854 . . . . 1.0 110.161 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.59 151.39 39.4 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.325 -1.484 . . . . 1.0 111.563 169.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.294 2.4 pp -118.65 -53.77 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 114.272 -1.331 . . . . 1.0 111.163 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -56.84 -40.86 76.84 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.954 1.252 . . . . 1.0 113.316 172.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.33 -31.45 33.46 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 115.685 1.735 . . . . 1.0 115.685 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.84 -14.82 43.84 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.022 1.729 . . . . 1.0 114.848 170.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.89 5.37 29.18 Favored Glycine 0 N--CA 1.489 2.229 0 C-N-CA 128.476 2.941 . . . . 1.0 117.931 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.7 mt -94.67 162.08 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 130.744 3.618 . . . . 1.0 110.985 -175.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.8 t -148.81 169.21 20.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.195 1.398 . . . . 1.0 114.583 -171.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -43.24 -47.82 6.53 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 127.107 2.163 . . . . 1.0 111.811 169.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -60.63 -26.39 66.99 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 127.395 2.278 . . . . 1.0 113.33 -177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -83.13 -51.75 7.23 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.016 2.127 . . . . 1.0 111.042 169.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 mt -54.09 -44.21 71.0 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.785 2.034 . . . . 1.0 113.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -56.26 -31.98 64.09 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.894 1.677 . . . . 1.0 113.982 171.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.86 -45.54 16.68 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.23 1.812 . . . . 1.0 112.259 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.63 -30.05 71.21 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.142 1.377 . . . . 1.0 113.83 170.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.33 -21.41 27.28 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.744 2.018 . . . . 1.0 116.006 172.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.26 -23.52 0.09 OUTLIER Glycine 0 CA--C 1.551 2.343 0 C-N-CA 126.982 2.23 . . . . 1.0 115.967 -169.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -63.61 132.55 95.22 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 128.779 2.832 . . . . 1.0 111.44 173.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.68 66.46 6.6 Favored 'Trans proline' 0 CA--C 1.553 1.439 0 C-N-CA 123.211 2.607 . . . . 1.0 114.117 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 m -67.42 152.46 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 126.555 1.942 . . . . 1.0 112.502 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.427 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 26.7 tp10 -118.41 -33.33 4.37 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.435 1.894 . . . . 1.0 114.53 173.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.8 p -138.45 -178.23 5.2 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 127.315 2.246 . . . . 1.0 114.55 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.27 158.53 69.28 Favored Pre-proline 0 N--CA 1.49 1.565 0 C-N-CA 127.094 2.158 . . . . 1.0 112.581 170.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.45 164.55 86.88 Favored 'Cis proline' 0 C--N 1.355 0.91 0 N-CA-C 115.296 1.229 . . . . 1.0 115.296 7.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -140.34 87.39 2.13 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.319 1.847 . . . . 1.0 110.906 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.3 mt -111.16 151.65 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 127.215 2.206 . . . . 1.0 113.114 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -129.32 94.7 3.85 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.444 2.298 . . . . 1.0 109.715 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.3 t -77.96 131.74 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 124.75 1.22 . . . . 1.0 109.431 172.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 4.5 m-20 43.62 29.75 0.3 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 129.479 3.112 . . . . 1.0 114.998 -169.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.261 45.2 mt-30 70.66 32.67 2.5 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 128.974 2.91 . . . . 1.0 114.851 -174.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.38 136.05 50.38 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 129.198 2.999 . . . . 1.0 109.743 171.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -60.03 112.69 1.98 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.096 -1.628 . . . . 1.0 114.085 -176.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.1 mm -125.73 104.85 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 128.282 2.633 . . . . 1.0 105.961 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -21.64 -62.51 0.02 OUTLIER Glycine 0 N--CA 1.48 1.594 0 C-N-CA 127.627 2.536 . . . . 1.0 116.601 -170.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.79 -149.75 20.31 Favored Glycine 0 C--O 1.221 -0.692 0 C-N-CA 127.794 2.616 . . . . 1.0 110.989 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -31.25 -55.42 0.24 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 126.47 1.908 . . . . 1.0 113.403 -169.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.2 t -46.01 -61.95 1.53 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 128.129 2.572 . . . . 1.0 116.382 170.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.77 -49.55 67.93 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 128.807 2.843 . . . . 1.0 112.525 173.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -49.06 63.44 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.985 3.314 . . . . 1.0 114.0 177.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.47 -53.06 62.37 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.826 1.651 . . . . 1.0 112.323 171.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.66 -43.72 72.63 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.731 1.212 . . . . 1.0 113.102 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -58.32 -51.96 67.62 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.408 1.883 . . . . 1.0 113.848 171.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.9 t -53.16 -52.39 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-N 119.535 1.061 . . . . 1.0 111.61 172.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -58.89 -51.7 68.89 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.496 2.319 . . . . 1.0 112.968 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -59.51 -12.2 5.95 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 127.326 2.25 . . . . 1.0 115.6 171.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -102.74 -58.74 1.82 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 127.313 2.245 . . . . 1.0 114.922 169.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.93 -27.42 43.7 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.278 2.231 . . . . 1.0 116.214 -175.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -100.92 4.56 42.72 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.009 1.724 . . . . 1.0 114.961 172.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 130.464 3.506 . . . . 1.0 117.151 -170.723 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.476 ' H2 ' ' CD ' ' B' ' 128' ' ' GLU . . . . . . . . 0 N--CA 1.473 1.127 0 N-CA-C 107.279 -2.328 . . . . 1.0 107.279 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.22 104.07 4.91 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 105.497 -2.038 . . . . 1.0 105.497 167.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.476 ' CD ' ' H2 ' ' B' ' 126' ' ' GLY . 1.5 pm0 -140.62 154.06 46.3 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.948 1.699 . . . . 1.0 113.839 -172.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -152.98 144.16 23.13 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 127.121 2.169 . . . . 1.0 111.804 -173.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.94 122.59 35.01 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.25 1.82 . . . . 1.0 110.882 170.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -128.37 129.0 45.57 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.708 2.003 . . . . 1.0 112.432 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -99.23 133.03 44.11 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 126.812 2.045 . . . . 1.0 112.44 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -138.13 143.44 40.35 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.332 1.853 . . . . 1.0 114.688 -171.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.54 93.53 2.68 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.319 1.447 . . . . 1.0 109.111 168.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 11.1 p -63.51 -28.53 3.43 Favored Pre-proline 0 N--CA 1.483 1.179 0 N-CA-C 117.061 2.245 . . . . 1.0 117.061 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -100.85 -13.91 0.16 Allowed 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 122.925 2.417 . . . . 1.0 117.327 -173.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 7.4 t -152.75 108.37 3.3 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 119.385 3.106 . . . . 1.0 119.385 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 3.4 mp -126.33 51.4 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 C-N-CA 127.838 2.455 . . . . 1.0 107.641 167.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -51.45 134.55 28.71 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 131.279 3.831 . . . . 1.0 115.328 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.11 94.69 7.68 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 108.766 -0.828 . . . . 1.0 108.766 170.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -163.11 -119.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.936 1.694 . . . . 1.0 112.435 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -56.28 5.2 0.02 OUTLIER Glycine 0 CA--C 1.558 2.739 0 N-CA-C 119.762 2.665 . . . . 1.0 119.762 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.5 t -46.71 100.68 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 1 C-N-CA 132.372 4.269 . . . . 1.0 116.951 -172.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.7 2.8 41.81 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 120.615 3.561 . . . . 1.0 120.615 -169.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.2 t -135.93 175.38 9.65 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 116.946 2.202 . . . . 1.0 116.946 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 163.85 -9.84 0.08 OUTLIER Glycine 0 N--CA 1.482 1.758 0 N-CA-C 118.751 2.26 . . . . 1.0 118.751 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 57.42 17.96 4.14 Favored 'General case' 0 CA--C 1.565 1.544 0 N-CA-C 118.524 2.787 . . . . 1.0 118.524 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.41 114.97 9.05 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 126.788 2.035 . . . . 1.0 111.425 -176.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -179.49 175.82 0.87 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 126.911 2.085 . . . . 1.0 114.727 -174.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 2.3 tp . . . . . 0 N--CA 1.487 1.42 0 C-N-CA 129.376 3.07 . . . . 1.0 113.224 173.432 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 121.054 0.454 . . . . 1.0 111.063 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tm0? -119.25 121.43 39.63 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 129.061 2.945 . . . . 1.0 112.036 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 m -121.78 121.02 36.3 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 126.103 1.761 . . . . 1.0 111.638 -172.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.6 t -118.04 131.26 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 126.534 1.934 . . . . 1.0 111.781 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.41 122.03 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 125.833 1.653 . . . . 1.0 112.54 -171.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -105.86 105.88 16.13 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.618 1.967 . . . . 1.0 113.432 -172.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.81 70.08 1.35 Allowed Glycine 0 N--CA 1.483 1.808 0 C-N-CA 126.319 1.914 . . . . 1.0 116.623 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.474 ' NH2' ' HZ2' ' A' ' 18' ' ' LYS . 3.3 ttt180 -79.89 -53.04 7.14 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 127.667 2.387 . . . . 1.0 114.126 179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -63.71 24.37 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 130.592 3.557 . . . . 1.0 118.054 -171.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.71 -32.8 0.5 Allowed Glycine 0 CA--C 1.543 1.841 0 C-N-CA 126.504 2.002 . . . . 1.0 117.156 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' SG ' HG22 ' A' ' 59' ' ' VAL . 14.3 p -140.51 142.35 28.8 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 127.023 2.129 . . . . 1.0 115.621 -172.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -61.3 -41.89 38.78 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 124.41 3.407 . . . . 1.0 115.134 -172.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -68.39 -38.07 80.96 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 120.878 1.672 . . . . 1.0 113.25 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.415 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.7 t -58.06 -40.69 81.64 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 119.286 0.948 . . . . 1.0 111.559 171.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.06 -52.11 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-O 116.755 -1.593 . . . . 1.0 110.086 171.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.444 HH21 ' CG ' ' B' ' 140' ' ' ASP . 0.0 OUTLIER -54.58 -41.9 70.42 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.26 1.824 . . . . 1.0 112.295 176.43 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.02 83.7 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.109 2.564 . . . . 1.0 112.818 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HZ2' ' NH2' ' A' ' 8' ' ' ARG . 3.3 ttpt -63.78 -52.11 61.79 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.25 1.42 . . . . 1.0 112.018 171.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -41.66 29.81 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 128.145 2.578 . . . . 1.0 113.172 172.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mp -59.62 -47.31 86.08 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.285 2.234 . . . . 1.0 113.999 171.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.96 96.2 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.906 0.883 . . . . 1.0 111.723 171.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.435 ' CD ' ' HZ3' ' A' ' 18' ' ' LYS . 35.7 tt0 -58.94 -43.52 91.21 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 126.967 2.107 . . . . 1.0 113.338 171.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -54.38 -55.11 31.92 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 131.59 3.956 . . . . 1.0 111.537 172.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.39 -48.46 81.65 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.677 1.991 . . . . 1.0 111.796 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t -53.71 -45.91 70.58 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 127.328 2.251 . . . . 1.0 114.8 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -43.26 86.22 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.463 1.905 . . . . 1.0 113.229 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.39 -51.25 64.19 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 126.803 2.041 . . . . 1.0 112.356 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.49 177.74 6.48 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 129.11 2.964 . . . . 1.0 114.273 -174.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.6 -22.14 8.23 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 127.949 2.5 . . . . 1.0 114.656 172.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -95.37 -19.81 19.63 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 118.049 2.611 . . . . 1.0 118.049 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -96.9 129.05 44.4 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 128.186 2.594 . . . . 1.0 110.894 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -116.36 130.94 57.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 128.383 2.673 . . . . 1.0 110.544 -173.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.1 136.13 54.67 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 127.515 2.326 . . . . 1.0 113.682 -176.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -130.03 133.5 46.78 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 127.584 2.353 . . . . 1.0 111.157 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -111.63 123.89 51.16 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.675 1.59 . . . . 1.0 112.769 173.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 t -122.73 115.0 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 126.926 2.09 . . . . 1.0 112.603 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.263 0.0 OUTLIER -71.86 102.47 2.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.817 1.414 . . . . 1.0 114.817 171.358 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.66 -39.48 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.236 -1.54 . . . . 1.0 111.735 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -65.19 -24.7 67.44 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.307 1.443 . . . . 1.0 113.478 172.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.9 -43.88 5.67 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.852 1.261 . . . . 1.0 114.074 -178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -63.56 -35.4 80.37 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.282 1.433 . . . . 1.0 112.928 172.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.52 35.64 0.98 Allowed Glycine 0 N--CA 1.491 2.306 0 C-N-CA 126.861 2.172 . . . . 1.0 117.233 172.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -124.75 160.3 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 130.389 3.475 . . . . 1.0 111.881 -171.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -140.01 168.14 20.49 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.874 2.07 . . . . 1.0 114.129 -171.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -32.84 62.77 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.762 1.023 . . . . 1.0 113.762 173.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -62.28 -36.83 83.29 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 127.348 2.259 . . . . 1.0 112.867 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.12 -51.1 16.67 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.939 2.096 . . . . 1.0 110.765 172.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.1 mt -59.07 -49.14 79.02 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.714 1.606 . . . . 1.0 113.439 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -56.49 -38.17 71.39 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.573 1.549 . . . . 1.0 113.871 172.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -65.36 -62.07 1.75 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.57 2.348 . . . . 1.0 111.358 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -57.43 -38.62 74.69 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.646 1.579 . . . . 1.0 113.26 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.17 -22.76 66.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.069 1.748 . . . . 1.0 114.973 171.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.95 30.51 73.47 Favored Glycine 0 CA--C 1.546 2.007 0 CA-C-N 119.254 0.934 . . . . 1.0 114.262 -172.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -148.26 121.45 4.67 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 128.797 2.839 . . . . 1.0 110.221 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.42 68.97 5.16 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 124.226 3.284 . . . . 1.0 113.246 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.3 m -62.1 161.86 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 125.767 1.627 . . . . 1.0 113.288 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -123.44 -58.29 1.62 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.853 2.061 . . . . 1.0 112.735 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.2 p -123.59 174.31 7.51 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 127.799 2.44 . . . . 1.0 114.215 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.436 HG22 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -83.75 157.46 63.81 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 127.295 2.238 . . . . 1.0 113.907 -172.428 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.28 168.91 73.13 Favored 'Cis proline' 0 CA--C 1.554 1.516 0 N-CA-C 116.673 1.759 . . . . 1.0 116.673 8.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -145.1 82.45 1.66 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.725 2.81 . . . . 1.0 111.764 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -110.48 152.06 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 128.005 2.522 . . . . 1.0 115.161 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -126.08 108.02 10.96 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.937 1.695 . . . . 1.0 109.57 175.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.9 t -97.62 130.45 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 126.053 1.741 . . . . 1.0 109.57 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' OD1' ' HA ' ' A' ' 1' ' ' MET . 0.4 OUTLIER 39.57 62.76 1.12 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.831 2.852 . . . . 1.0 111.562 -172.04 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 55.1 10.09 0.38 Allowed 'General case' 0 CA--C 1.557 1.243 1 C-N-CA 133.26 4.624 . . . . 1.0 118.178 -174.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.64 142.34 51.56 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.244 1.818 . . . . 1.0 113.253 -173.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -60.58 134.35 56.99 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 115.991 1.848 . . . . 1.0 115.991 -174.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.6 mm -135.22 158.14 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 C-N-CA 131.104 3.762 . . . . 1.0 107.202 171.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.22 -70.86 0.85 Allowed Glycine 0 CA--C 1.537 1.458 0 O-C-N 119.618 -1.926 . . . . 1.0 111.106 172.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.5 -138.17 9.75 Favored Glycine 0 C--O 1.219 -0.831 0 C-N-CA 126.308 1.909 . . . . 1.0 110.552 -173.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.408 ' CZ ' ' HB2' ' B' ' 140' ' ' ASP . 29.8 t80 -32.58 -53.6 0.33 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.077 1.939 . . . . 1.0 115.047 -172.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 t -62.27 -61.61 2.34 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.04 1.336 . . . . 1.0 114.363 173.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.78 -47.01 77.81 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.586 2.354 . . . . 1.0 113.429 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.62 -49.26 78.24 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 130.804 3.642 . . . . 1.0 113.703 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.96 97.64 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.1 1.318 . . . . 1.0 111.417 171.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.6 93.76 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.736 1.214 . . . . 1.0 113.1 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -62.6 -53.15 58.97 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.874 2.47 . . . . 1.0 112.927 171.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.0 t -53.1 -52.68 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 126.105 1.762 . . . . 1.0 111.421 172.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . 0.285 11.6 ptpt -63.79 -34.01 76.96 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.599 1.333 . . . . 1.0 114.599 176.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -60.79 -20.03 60.67 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 126.833 2.053 . . . . 1.0 112.587 171.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -98.82 -58.06 2.03 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 127.659 2.384 . . . . 1.0 113.24 172.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.11 -29.69 24.64 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 117.538 2.422 . . . . 1.0 117.538 -171.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -99.21 6.19 46.45 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 126.48 1.912 . . . . 1.0 113.346 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 C-N-CA 130.606 3.563 . . . . 1.0 114.687 -175.235 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.473 ' H2 ' ' CD ' ' B' ' 128' ' ' GLU . . . . . . . . 0 N--CA 1.473 1.147 0 N-CA-C 107.782 -2.127 . . . . 1.0 107.782 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.85 107.6 6.6 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.255 2.222 . . . . 1.0 106.329 171.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.473 ' CD ' ' H2 ' ' B' ' 126' ' ' GLY . 20.6 mp0 -137.24 120.12 16.39 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.83 1.652 . . . . 1.0 111.476 -172.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -100.14 120.41 39.83 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.106 1.362 . . . . 1.0 113.434 -171.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.23 88.48 4.19 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 126.014 1.726 . . . . 1.0 113.269 -172.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.74 132.34 49.59 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.707 2.003 . . . . 1.0 113.508 171.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -145.32 95.49 2.68 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.468 1.907 . . . . 1.0 112.699 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -64.96 145.82 55.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.495 1.518 . . . . 1.0 113.586 172.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -78.48 98.11 5.95 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.1 1.36 . . . . 1.0 112.347 174.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.6 p -84.89 -32.86 0.49 Allowed Pre-proline 0 N--CA 1.484 1.271 0 C-N-CA 125.962 1.705 . . . . 1.0 114.779 172.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -78.79 75.41 5.03 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 123.429 2.753 . . . . 1.0 110.228 171.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 10.4 t -91.14 171.67 9.09 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.456 1.902 . . . . 1.0 113.552 -172.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . 0.265 6.3 mt -122.54 79.51 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 126.389 1.876 . . . . 1.0 113.227 -171.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.82 132.75 8.61 Favored 'General case' 0 CA--C 1.555 1.156 1 C-N-CA 131.719 4.008 . . . . 1.0 108.203 173.533 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . 0.444 ' CG ' HH21 ' A' ' 16' ' ' ARG . 16.7 p-10 -98.04 98.15 9.51 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 116.796 2.147 . . . . 1.0 116.796 -170.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.256 8.5 t70 -152.68 -111.62 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 131.168 3.787 . . . . 1.0 110.712 171.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -58.61 7.48 0.03 OUTLIER Glycine 0 CA--C 1.551 2.287 0 C-N-CA 130.23 3.776 . . . . 1.0 119.382 175.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.2 134.65 49.5 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 120.043 1.921 . . . . 1.0 115.493 -172.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -126.26 19.56 7.54 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 127.788 2.435 . . . . 1.0 115.078 -172.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.2 p -123.06 153.16 40.24 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 116.156 1.909 . . . . 1.0 116.156 -174.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 168.45 -17.05 0.07 OUTLIER Glycine 0 N--CA 1.477 1.39 0 N-CA-C 117.953 1.941 . . . . 1.0 117.953 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.66 33.67 17.09 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 119.2 1.5 . . . . 1.0 114.485 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.54 121.01 18.96 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.574 1.55 . . . . 1.0 107.389 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 73.6 tttt 177.14 156.0 0.29 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 129.83 3.252 . . . . 1.0 111.38 -170.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.488 1.461 0 C-N-CA 130.391 3.476 . . . . 1.0 115.353 172.09 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 111.516 0.191 . . . . 1.0 111.516 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.53 120.61 38.03 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.195 1.398 . . . . 1.0 111.249 171.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.6 m -123.72 123.85 41.43 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 126.398 1.879 . . . . 1.0 112.121 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.1 t -115.61 130.83 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 127.576 2.351 . . . . 1.0 110.793 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.7 mt -123.06 125.67 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 127.151 2.18 . . . . 1.0 112.452 -168.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -111.81 100.23 8.76 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.617 1.567 . . . . 1.0 114.384 -170.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.87 74.08 1.11 Allowed Glycine 0 CA--C 1.546 1.973 0 C-N-CA 127.261 2.362 . . . . 1.0 118.868 170.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -67.74 -30.73 70.27 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.917 2.087 . . . . 1.0 114.635 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -61.39 128.06 34.49 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.496 2.036 . . . . 1.0 116.496 -169.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.03 -3.53 13.23 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 119.702 2.641 . . . . 1.0 119.702 169.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.17 122.66 26.83 Favored Pre-proline 0 CA--C 1.558 1.255 0 CA-C-N 121.47 2.635 . . . . 1.0 112.428 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -61.64 -30.49 85.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.155 3.237 . . . . 1.0 113.837 -172.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -52.25 -51.48 58.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 129.791 3.236 . . . . 1.0 112.958 171.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 t -70.68 -36.69 73.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.298 1.839 . . . . 1.0 113.981 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.16 -54.9 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 116.896 -1.526 . . . . 1.0 111.622 171.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -56.82 -43.2 80.8 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 120.371 1.441 . . . . 1.0 111.873 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.37 -50.73 70.72 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 114.733 1.382 . . . . 1.0 114.733 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.537 ' HZ3' ' CD ' ' A' ' 22' ' ' GLU . 1.4 tmpt? -60.37 -50.34 73.99 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.195 1.398 . . . . 1.0 113.059 171.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.2 -37.97 81.85 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.984 2.113 . . . . 1.0 113.991 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.71 -43.34 97.96 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.862 1.665 . . . . 1.0 113.267 169.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.39 96.18 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.657 1.183 . . . . 1.0 112.866 171.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.537 ' CD ' ' HZ3' ' A' ' 18' ' ' LYS . 38.4 tt0 -56.64 -45.13 81.75 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.632 1.973 . . . . 1.0 114.102 171.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -51.79 -56.45 13.79 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 127.764 2.425 . . . . 1.0 111.063 170.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.83 -45.59 91.92 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.122 1.769 . . . . 1.0 113.578 175.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 t -61.66 -35.12 77.06 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 114.234 1.198 . . . . 1.0 114.234 174.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.12 -50.85 52.1 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.052 1.341 . . . . 1.0 112.449 169.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -72.04 -18.9 61.91 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.725 2.01 . . . . 1.0 114.891 -175.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -125.29 170.86 10.89 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.506 1.922 . . . . 1.0 115.385 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -88.71 -51.49 5.64 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 131.309 3.844 . . . . 1.0 114.223 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -24.26 58.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 129.78 3.232 . . . . 1.0 117.662 -169.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -95.94 102.58 14.39 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.837 1.655 . . . . 1.0 113.419 -167.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.57 133.75 40.66 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 127.889 2.475 . . . . 1.0 114.707 171.048 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -109.97 138.86 45.75 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 128.615 2.766 . . . . 1.0 114.175 -175.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -127.34 132.69 50.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.974 2.109 . . . . 1.0 109.028 172.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -121.56 123.34 41.74 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.272 1.429 . . . . 1.0 112.279 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 t -127.13 108.89 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 127.29 2.236 . . . . 1.0 110.815 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.251 0.0 OUTLIER -70.09 84.1 0.52 Allowed 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.339 -1.476 . . . . 1.0 114.638 172.052 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -54.31 -37.27 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 120.021 -1.674 . . . . 1.0 111.549 170.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -66.14 -12.18 54.08 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 128.32 2.648 . . . . 1.0 115.241 170.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.38 -45.09 2.45 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 120.379 1.445 . . . . 1.0 114.016 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -61.84 -18.77 61.25 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 129.516 3.127 . . . . 1.0 115.209 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.26 50.16 2.86 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 126.928 2.204 . . . . 1.0 115.554 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.7 mt -134.02 148.69 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 126.732 2.013 . . . . 1.0 109.758 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.9 t -132.73 165.84 23.6 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.877 1.806 . . . . 1.0 115.877 -169.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -48.0 -40.82 23.78 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 127.984 2.514 . . . . 1.0 113.31 171.012 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -65.39 -20.39 66.36 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 128.799 2.839 . . . . 1.0 114.092 176.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' CG ' ' HZ1' ' A' ' 51' ' ' LYS . 6.3 t70 -94.38 -47.63 6.51 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.014 2.126 . . . . 1.0 111.3 170.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.3 mt -53.71 -51.35 63.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.24 2.216 . . . . 1.0 114.178 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -52.27 -32.7 38.47 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 121.316 1.871 . . . . 1.0 114.555 172.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -75.35 -55.8 5.35 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.035 1.334 . . . . 1.0 111.102 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.406 ' HZ1' ' CG ' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -53.92 -37.49 63.87 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 126.846 2.058 . . . . 1.0 114.753 172.283 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.21 -9.72 58.96 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 129.156 2.982 . . . . 1.0 115.632 173.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.89 -53.66 2.54 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 125.574 1.559 . . . . 1.0 113.056 -170.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -69.27 130.96 90.61 Favored Pre-proline 0 N--CA 1.48 1.032 0 C-N-CA 129.514 3.125 . . . . 1.0 112.884 -173.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -65.97 84.54 0.25 Allowed 'Trans proline' 0 CA--C 1.552 1.384 0 C-N-CA 124.22 3.28 . . . . 1.0 111.275 170.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.5 m -78.26 149.82 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 125.902 1.681 . . . . 1.0 110.729 169.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.512 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 36.6 tp10 -120.23 -18.44 8.01 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.376 1.47 . . . . 1.0 114.738 174.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -146.37 178.68 8.07 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 128.499 2.72 . . . . 1.0 114.833 -168.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.78 162.46 50.02 Favored Pre-proline 0 N--CA 1.489 1.504 0 C-N-CA 127.006 2.122 . . . . 1.0 111.987 168.689 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.65 166.75 58.84 Favored 'Cis proline' 0 CA--C 1.554 1.483 0 N-CA-C 115.112 1.158 . . . . 1.0 115.112 -3.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -135.9 80.22 1.82 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.067 2.147 . . . . 1.0 111.51 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 46.0 mt -118.92 153.58 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 128.43 2.692 . . . . 1.0 112.916 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -126.62 111.62 14.53 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.264 2.226 . . . . 1.0 108.732 170.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.07 144.18 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.797 1.239 . . . . 1.0 109.325 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 4.4 p-10 47.97 22.73 0.41 Allowed 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 126.608 1.963 . . . . 1.0 116.247 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 75.71 4.0 3.9 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 131.237 3.815 . . . . 1.0 116.786 -172.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -95.98 159.43 14.97 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.294 2.238 . . . . 1.0 111.038 169.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -75.76 108.27 8.51 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.185 -1.572 . . . . 1.0 112.363 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.7 mm -119.98 102.14 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 128.105 2.562 . . . . 1.0 106.132 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -24.61 -58.91 0.05 OUTLIER Glycine 0 N--CA 1.477 1.41 0 C-N-CA 127.847 2.642 . . . . 1.0 116.438 -170.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.449 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 133.88 -138.43 10.08 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 128.026 2.727 . . . . 1.0 111.284 -178.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -30.82 -52.44 0.17 Allowed 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 127.712 2.405 . . . . 1.0 115.505 -172.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.3 t -66.28 -63.51 1.06 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 125.596 1.558 . . . . 1.0 115.062 173.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.449 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.6 OUTLIER -51.63 -52.65 46.12 Favored 'General case' 0 CA--C 1.563 1.465 0 C-N-CA 129.996 3.319 . . . . 1.0 111.528 177.683 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -60.98 -37.35 82.14 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 130.812 3.645 . . . . 1.0 114.699 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.58 -37.9 83.26 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 121.01 -1.056 . . . . 1.0 113.79 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.48 93.02 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.951 0.9 . . . . 1.0 112.505 170.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -55.63 -51.34 67.52 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.27 1.828 . . . . 1.0 113.596 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.7 t -55.57 -49.11 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 125.227 1.411 . . . . 1.0 113.025 172.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -54.89 -48.72 72.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 119.867 1.212 . . . . 1.0 112.2 170.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.54 -11.1 1.78 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 127.815 2.446 . . . . 1.0 115.966 170.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -101.69 -48.61 4.25 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 126.969 2.108 . . . . 1.0 113.269 169.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.4 mt -94.09 -57.03 2.65 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 128.162 2.585 . . . . 1.0 115.218 -170.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -72.95 -0.18 12.98 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.836 2.055 . . . . 1.0 114.804 171.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.441 0 C-N-CA 129.696 3.198 . . . . 1.0 114.849 174.33 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.442 ' H2 ' ' CD ' ' B' ' 128' ' ' GLU . . . . . . . . 0 N--CA 1.473 1.129 0 N-CA-C 108.434 -1.866 . . . . 1.0 108.434 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.54 105.15 5.33 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.42 1.888 . . . . 1.0 107.747 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.442 ' CD ' ' H2 ' ' B' ' 126' ' ' GLY . 25.1 mp0 -139.07 173.15 11.86 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 127.189 2.196 . . . . 1.0 113.178 -170.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.16 95.3 7.65 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 122.683 1.23 . . . . 1.0 111.701 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -112.52 86.79 2.43 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.175 2.19 . . . . 1.0 110.45 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -126.71 144.42 50.94 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 128.221 2.608 . . . . 1.0 113.008 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -108.83 157.72 18.33 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 126.821 2.049 . . . . 1.0 115.828 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.94 174.18 8.15 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 130.554 3.541 . . . . 1.0 112.72 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.434 HD12 ' H ' ' B' ' 134' ' ' LEU 0.259 0.0 OUTLIER -54.01 95.66 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.588 0 O-C-N 120.136 -1.602 . . . . 1.0 115.189 -174.149 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 29.1 m -136.62 -14.16 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.532 0 C-N-CA 130.285 3.434 . . . . 1.0 117.27 176.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -87.78 -29.91 0.31 Allowed 'Trans proline' 0 CA--C 1.554 1.491 0 C-N-CA 123.714 2.942 . . . . 1.0 114.376 171.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 9.1 m -153.29 135.14 14.6 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 127.733 2.413 . . . . 1.0 111.611 170.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . 0.262 15.5 tt -132.98 80.78 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 114.888 1.44 . . . . 1.0 114.888 -176.319 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -89.14 127.29 35.72 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.855 2.462 . . . . 1.0 108.305 169.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -108.03 95.08 5.43 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.29 -1.506 . . . . 1.0 112.53 175.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -164.75 -11.08 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 118.354 2.724 . . . . 1.0 118.354 171.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -136.15 62.66 0.6 Allowed Glycine 0 N--CA 1.481 1.68 0 N-CA-C 117.155 1.622 . . . . 1.0 117.155 -169.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.7 t -133.69 98.61 4.24 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.371 2.269 . . . . 1.0 114.057 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -86.18 6.93 27.09 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 116.65 2.092 . . . . 1.0 116.65 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.0 t -122.89 169.93 10.63 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.934 1.694 . . . . 1.0 114.417 -171.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 146.1 3.67 0.54 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 118.328 2.091 . . . . 1.0 118.328 172.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 47.75 16.19 0.07 Allowed 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 131.493 3.917 . . . . 1.0 118.194 170.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.33 141.5 38.4 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.443 2.297 . . . . 1.0 114.607 -170.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.79 -175.41 0.16 Allowed 'General case' 0 N--CA 1.495 1.794 1 C-N-CA 131.881 4.072 . . . . 1.0 112.482 176.483 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 N--CA 1.502 2.159 0 C-N-CA 126.752 2.021 . . . . 1.0 115.665 171.886 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttm . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 112.397 0.518 . . . . 1.0 112.397 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.12 120.58 38.17 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.468 2.307 . . . . 1.0 111.683 175.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.1 m -121.7 112.77 18.82 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.962 1.705 . . . . 1.0 112.522 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.68 117.44 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 126.07 1.748 . . . . 1.0 110.537 -175.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 mt -101.83 124.03 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 127.731 2.412 . . . . 1.0 112.877 -171.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.37 106.77 17.42 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 125.078 1.351 . . . . 1.0 113.018 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.98 81.22 0.25 Allowed Glycine 0 CA--C 1.539 1.538 0 C-N-CA 129.642 3.496 . . . . 1.0 118.821 172.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -69.39 -47.13 65.16 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 119.184 1.492 . . . . 1.0 114.419 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -65.34 123.68 20.22 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.899 1.679 . . . . 1.0 114.496 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.23 -10.93 26.64 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 127.777 2.608 . . . . 1.0 117.663 172.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 12.8 p -145.96 125.12 6.66 Favored Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 116.56 2.059 . . . . 1.0 116.56 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -48.65 -45.7 26.76 Favored 'Trans proline' 0 C--N 1.362 1.256 1 C-N-CA 125.768 4.312 . . . . 1.0 114.807 176.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -59.61 -38.42 81.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.35 1.06 . . . . 1.0 112.735 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.458 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 2.3 t -68.48 -43.31 77.2 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.833 1.253 . . . . 1.0 112.521 171.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.3 t -56.32 -52.36 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-O 117.5 -1.238 . . . . 1.0 111.418 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -64.64 -41.6 96.02 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.946 0.898 . . . . 1.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.36 -44.19 84.15 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 120.002 1.274 . . . . 1.0 113.942 172.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -61.82 2.11 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.344 1.858 . . . . 1.0 111.661 171.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -44.9 -44.46 9.67 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.527 2.331 . . . . 1.0 112.992 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.13 -49.0 79.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.863 2.065 . . . . 1.0 113.066 171.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.1 71.34 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.4 1.08 . . . . 1.0 111.954 171.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.59 -44.4 97.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.453 1.101 . . . . 1.0 112.338 171.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -45.48 71.55 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 129.031 2.932 . . . . 1.0 112.472 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.66 -50.01 66.55 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.338 2.655 . . . . 1.0 112.891 173.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 t -53.81 -42.12 68.06 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 126.881 2.072 . . . . 1.0 113.281 171.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -66.82 -48.24 69.53 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.837 1.255 . . . . 1.0 112.242 171.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -63.44 -45.55 90.38 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.912 2.085 . . . . 1.0 112.866 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -111.27 172.97 6.57 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 127.065 2.146 . . . . 1.0 114.788 -171.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -96.66 -41.16 8.65 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.362 1.865 . . . . 1.0 114.793 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -73.95 -13.24 60.85 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 128.288 2.635 . . . . 1.0 116.415 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -97.6 110.52 23.07 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.436 2.294 . . . . 1.0 114.044 -170.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -112.81 118.29 34.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.833 2.853 . . . . 1.0 110.172 177.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.56 136.8 47.56 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.95 2.5 . . . . 1.0 115.439 -171.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -129.79 138.64 51.16 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.364 2.266 . . . . 1.0 110.089 -176.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -107.75 123.65 48.86 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.582 1.953 . . . . 1.0 111.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.0 t -126.03 132.42 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 C-N-CA 127.575 2.35 . . . . 1.0 111.761 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.86 108.63 19.26 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.599 1.96 . . . . 1.0 115.563 177.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.1 pp -71.58 -33.56 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.091 -1.631 . . . . 1.0 110.631 171.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -74.95 -2.86 28.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 131.384 3.874 . . . . 1.0 114.421 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.58 -50.62 1.62 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.467 1.507 . . . . 1.0 112.958 171.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -63.46 -11.23 21.92 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 125.543 1.537 . . . . 1.0 115.012 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.5 64.91 1.54 Allowed Glycine 0 N--CA 1.476 1.343 0 C-N-CA 127.896 2.665 . . . . 1.0 112.55 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.7 mt -144.08 161.53 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 126.48 1.912 . . . . 1.0 112.077 -171.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -147.77 162.98 38.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 129.614 3.166 . . . . 1.0 112.426 -175.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -26.85 56.47 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 115.622 1.712 . . . . 1.0 115.622 173.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -66.09 -42.87 88.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.003 0.921 . . . . 1.0 112.109 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.15 -52.88 60.66 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.747 2.019 . . . . 1.0 111.829 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 11.7 mt -60.25 -29.52 68.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 117.029 -1.462 . . . . 1.0 113.864 -172.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -68.47 -35.02 76.96 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 121.602 2.001 . . . . 1.0 111.29 171.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -75.9 -66.55 0.77 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.977 2.511 . . . . 1.0 113.024 -172.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -54.15 -22.73 11.93 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.466 1.284 . . . . 1.0 114.466 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.72 -39.49 21.87 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 128.597 2.759 . . . . 1.0 116.646 172.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.36 13.58 81.46 Favored Glycine 0 CA--C 1.55 2.263 0 C-N-CA 125.252 1.406 . . . . 1.0 114.247 -171.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -106.27 117.88 56.19 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 128.547 2.739 . . . . 1.0 108.416 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -71.68 81.04 1.36 Allowed 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 124.47 3.446 . . . . 1.0 113.942 -171.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.441 HG13 HE22 ' A' ' 61' ' ' GLN . 3.1 m -84.71 159.92 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 125.049 1.339 . . . . 1.0 114.258 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -115.13 -47.95 2.84 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.811 2.044 . . . . 1.0 112.188 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 p -150.28 -177.22 5.81 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 131.521 3.928 . . . . 1.0 112.679 -171.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.55 155.53 68.68 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 120.141 -1.599 . . . . 1.0 111.148 -178.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -70.76 168.94 69.73 Favored 'Cis proline' 0 CA--C 1.546 1.116 0 N-CA-C 117.228 1.972 . . . . 1.0 117.228 8.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.441 HE22 HG13 ' A' ' 56' ' ' VAL . 82.0 mm-40 -143.64 81.34 1.69 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 129.413 3.085 . . . . 1.0 110.059 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.0 mt -107.74 152.52 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 C-N-CA 128.422 2.689 . . . . 1.0 114.892 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -125.63 90.82 3.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.843 2.057 . . . . 1.0 111.273 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.6 t -81.98 147.1 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 126.094 1.758 . . . . 1.0 108.723 172.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.31 1.2 p-10 48.55 23.8 0.67 Allowed 'General case' 0 CA--C 1.566 1.588 0 O-C-N 120.063 -1.648 . . . . 1.0 115.399 -172.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 62.62 27.72 16.3 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 128.08 2.552 . . . . 1.0 114.191 -172.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.521 HE22 HD13 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -132.6 135.6 46.0 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 131.373 3.869 . . . . 1.0 109.513 -178.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.6 108.56 4.42 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 119.476 -2.015 . . . . 1.0 114.802 -171.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.521 HD13 HE22 ' A' ' 67' ' ' GLN . 22.7 mm -107.64 125.84 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 129.669 3.188 . . . . 1.0 107.433 171.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -31.92 -64.53 0.23 Allowed Glycine 0 CA--C 1.544 1.859 0 C-N-CA 125.155 1.359 . . . . 1.0 115.052 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.497 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 129.03 -140.74 11.94 Favored Glycine 0 C--O 1.217 -0.928 0 C-N-CA 128.378 2.894 . . . . 1.0 109.465 -172.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.491 ' CE2' ' HA ' ' B' ' 140' ' ' ASP . 4.0 t80 -32.7 -45.04 0.11 Allowed 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 127.371 2.268 . . . . 1.0 115.775 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.68 -62.42 1.67 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 126.925 2.09 . . . . 1.0 114.763 171.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.497 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -55.62 -55.11 35.87 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 129.117 2.967 . . . . 1.0 112.823 172.667 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -47.32 68.95 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 127.682 2.393 . . . . 1.0 114.749 172.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.12 77.55 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.972 1.26 . . . . 1.0 111.638 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.66 76.0 Favored 'General case' 0 CA--C 1.56 1.34 0 N-CA-C 113.987 1.106 . . . . 1.0 113.987 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -60.59 -53.65 54.97 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.695 1.998 . . . . 1.0 112.0 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.3 t -52.83 -44.31 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 126.243 1.817 . . . . 1.0 111.96 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.419 ' N ' ' HE2' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -57.76 -55.44 34.86 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.135 1.374 . . . . 1.0 110.861 172.453 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -52.9 -13.6 0.45 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.407 1.883 . . . . 1.0 115.666 171.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -99.88 -59.88 1.63 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 126.334 1.854 . . . . 1.0 112.621 171.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.8 mt -86.68 -41.84 13.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 128.142 2.577 . . . . 1.0 116.132 -172.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -93.22 3.45 55.65 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 128.943 2.897 . . . . 1.0 113.996 177.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 1 C-N-CA 132.566 4.346 . . . . 1.0 115.427 -174.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.328 0 N-CA-C 108.96 -1.656 . . . . 1.0 108.96 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.38 106.71 6.42 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 106.057 -1.831 . . . . 1.0 106.057 170.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -137.74 157.44 46.46 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 128.15 2.58 . . . . 1.0 113.617 -175.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -122.29 100.15 6.8 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.716 1.606 . . . . 1.0 113.911 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.28 89.13 4.37 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.078 2.151 . . . . 1.0 111.061 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -125.89 112.83 16.43 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.317 1.847 . . . . 1.0 113.216 -172.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.68 88.55 3.63 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.11 2.564 . . . . 1.0 110.934 -175.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.07 121.45 12.5 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 126.147 1.779 . . . . 1.0 112.239 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.85 98.15 0.96 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 129.281 3.033 . . . . 1.0 110.491 171.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 69.8 t -69.05 -59.5 5.18 Favored Pre-proline 0 N--CA 1.486 1.367 0 C-N-CA 125.072 1.349 . . . . 1.0 108.877 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -85.32 96.18 0.63 Allowed 'Trans proline' 0 CA--C 1.55 1.295 0 C-N-CA 124.176 3.251 . . . . 1.0 107.187 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 94.9 p -91.6 108.88 20.21 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.188 1.795 . . . . 1.0 113.108 -172.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 9.3 mt -123.3 77.57 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 126.615 1.966 . . . . 1.0 110.836 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -132.86 99.56 4.64 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.182 2.193 . . . . 1.0 108.497 172.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . 0.491 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . 46.2 m-20 -130.84 97.71 4.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.219 1.808 . . . . 1.0 111.136 -176.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -154.26 -178.2 6.96 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 127.125 2.17 . . . . 1.0 115.027 -172.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -54.15 26.92 0.01 OUTLIER Glycine 0 N--CA 1.483 1.815 1 C-N-CA 134.685 5.898 . . . . 1.0 119.947 -171.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 6.3 m -95.67 124.88 39.89 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 127.748 2.419 . . . . 1.0 116.117 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -113.16 106.96 15.27 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.34 2.256 . . . . 1.0 109.311 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.15 149.71 12.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.754 1.622 . . . . 1.0 114.358 174.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 150.46 -16.01 0.98 Allowed Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.346 1.927 . . . . 1.0 117.901 171.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.1 27.99 6.4 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 120.261 2.031 . . . . 1.0 114.04 173.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.6 t -72.85 130.64 40.9 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 129.175 2.99 . . . . 1.0 110.85 -171.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt 177.7 124.84 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 126.709 2.004 . . . . 1.0 115.421 -170.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.419 10.6 tp . . . . . 0 N--CA 1.492 1.625 0 C-N-CA 130.933 3.693 . . . . 1.0 117.125 171.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 tpp . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 111.538 0.199 . . . . 1.0 111.538 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -118.54 122.68 43.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.591 1.956 . . . . 1.0 113.85 172.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.5 m -113.8 116.12 28.86 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.985 0.914 . . . . 1.0 111.599 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.6 t -110.68 124.07 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 127.158 2.183 . . . . 1.0 109.076 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 mt -109.96 126.91 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 128.66 2.784 . . . . 1.0 114.502 -170.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -106.09 115.01 29.5 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.286 1.835 . . . . 1.0 113.084 176.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 9' ' ' SER . . . 72.65 72.46 0.96 Allowed Glycine 0 CA--C 1.536 1.397 0 N-CA-C 120.465 2.946 . . . . 1.0 120.465 171.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -76.64 32.14 0.13 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 127.977 2.511 . . . . 1.0 111.464 171.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 7' ' ' GLY . 77.7 p -114.46 121.92 45.01 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 131.681 3.992 . . . . 1.0 117.184 -171.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.43 -62.56 2.67 Favored Glycine 0 N--CA 1.48 1.601 0 C-N-CA 126.642 2.067 . . . . 1.0 115.996 171.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 11.1 p -69.45 117.38 52.13 Favored Pre-proline 0 CA--C 1.551 1.018 0 N-CA-C 115.532 1.678 . . . . 1.0 115.532 172.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -67.97 -30.79 32.1 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.647 2.898 . . . . 1.0 114.566 -172.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -66.69 -37.89 85.67 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 119.836 1.198 . . . . 1.0 111.14 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.5 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -56.62 -46.38 80.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.413 1.485 . . . . 1.0 112.668 171.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.0 -50.87 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 C-N-CA 124.153 0.981 . . . . 1.0 110.6 171.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -56.68 -41.54 77.48 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.26 0.936 . . . . 1.0 113.172 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.5 -47.39 76.27 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.989 1.715 . . . . 1.0 112.459 172.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -51.67 69.03 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.699 1.599 . . . . 1.0 111.019 171.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.47 -44.52 62.47 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.107 1.763 . . . . 1.0 114.221 173.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.36 -48.52 80.34 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.381 2.272 . . . . 1.0 113.375 172.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.5 95.57 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.885 0.874 . . . . 1.0 112.062 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.05 -43.77 87.04 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.1 1.36 . . . . 1.0 113.028 171.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -53.32 -46.66 69.53 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 129.53 3.132 . . . . 1.0 111.706 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.99 -51.27 59.92 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.372 2.669 . . . . 1.0 113.611 171.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.37 -37.25 80.14 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.927 1.691 . . . . 1.0 113.629 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -66.71 -44.49 81.49 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.537 2.735 . . . . 1.0 113.033 171.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.78 -46.49 75.13 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.361 2.264 . . . . 1.0 111.91 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -115.78 -178.42 3.39 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.696 2.109 . . . . 1.0 116.696 -171.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -106.52 -36.05 6.89 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 127.584 2.354 . . . . 1.0 114.97 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -32.45 73.83 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.286 1.434 . . . . 1.0 113.395 -171.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -97.99 119.72 37.12 Favored 'General case' 0 C--N 1.316 -0.863 1 C-N-CA 132.422 4.289 . . . . 1.0 110.967 -171.228 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -126.63 126.46 43.62 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.95 2.9 . . . . 1.0 110.244 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.0 136.94 47.69 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.249 1.82 . . . . 1.0 114.957 -172.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -129.75 135.01 47.95 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.532 1.933 . . . . 1.0 109.624 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -118.81 123.83 45.73 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.517 1.527 . . . . 1.0 113.693 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.7 t -122.74 115.51 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 128.42 2.688 . . . . 1.0 112.262 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.316 0.0 OUTLIER -73.1 101.44 3.29 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 116.665 2.098 . . . . 1.0 116.665 173.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -70.55 -33.43 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 O-C-N 120.03 -1.669 . . . . 1.0 112.099 172.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -80.68 2.27 26.59 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 126.684 1.994 . . . . 1.0 114.22 172.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.71 -46.8 2.11 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.38 -0.825 . . . . 1.0 112.599 171.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.74 -18.25 63.85 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 126.734 2.013 . . . . 1.0 115.183 171.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.53 56.38 2.14 Favored Glycine 0 N--CA 1.478 1.442 0 C-N-CA 127.023 2.249 . . . . 1.0 114.7 175.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.2 mt -132.21 157.62 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 127.654 2.382 . . . . 1.0 111.544 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 t -145.45 164.48 31.43 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.436 2.294 . . . . 1.0 113.959 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -31.08 25.62 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.65 1.58 . . . . 1.0 113.756 171.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -63.38 -39.66 95.13 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 125.544 1.538 . . . . 1.0 111.348 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -70.36 -56.99 5.33 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.67 1.988 . . . . 1.0 111.131 171.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 mt -57.37 -46.36 83.47 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.943 2.497 . . . . 1.0 112.745 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -55.43 -35.42 65.41 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.074 1.35 . . . . 1.0 114.077 176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -81.0 -31.18 34.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.181 1.792 . . . . 1.0 113.222 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -79.47 -25.05 41.99 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 127.11 2.164 . . . . 1.0 114.128 171.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.6 -23.68 19.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 129.493 3.117 . . . . 1.0 116.45 174.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.73 -25.6 1.15 Allowed Glycine 0 CA--C 1.547 2.037 0 C-N-CA 125.633 1.587 . . . . 1.0 114.655 -171.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -66.89 125.97 91.67 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 130.393 3.477 . . . . 1.0 110.446 171.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -71.09 79.54 1.35 Allowed 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 123.741 2.961 . . . . 1.0 110.68 173.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 m -84.63 141.53 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.562 1.145 . . . . 1.0 113.001 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -124.21 -28.66 3.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.333 2.653 . . . . 1.0 112.655 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.7 p -126.94 -179.56 4.9 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 129.953 3.301 . . . . 1.0 112.886 -172.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.54 164.98 14.86 Favored Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 128.435 2.694 . . . . 1.0 113.031 172.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.64 168.23 71.3 Favored 'Cis proline' 0 CA--C 1.551 1.365 0 N-CA-C 116.103 1.54 . . . . 1.0 116.103 -1.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -135.44 75.01 1.54 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.964 2.906 . . . . 1.0 112.126 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.9 mt -105.65 151.36 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 127.185 2.194 . . . . 1.0 114.421 172.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -129.14 110.39 11.97 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 129.893 3.277 . . . . 1.0 109.759 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.8 t -98.29 133.35 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.886 1.674 . . . . 1.0 110.331 -179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 42.91 31.6 0.34 Allowed 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 130.009 3.324 . . . . 1.0 114.079 -172.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 94.37 3.8 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.742 1 C-N-CA 134.348 5.059 . . . . 1.0 116.935 -178.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.35 145.03 50.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 119.542 -1.974 . . . . 1.0 113.26 -175.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -60.58 114.23 2.87 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.784 1.401 . . . . 1.0 114.784 -172.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.7 mm -131.27 97.48 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 128.718 2.807 . . . . 1.0 106.314 171.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -9.29 -62.77 0.01 OUTLIER Glycine 0 CA--C 1.535 1.343 0 C-N-CA 129.831 3.586 . . . . 1.0 118.648 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.434 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 130.2 -144.06 15.33 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 126.25 1.881 . . . . 1.0 111.103 -171.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -33.1 -55.77 0.4 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.901 2.08 . . . . 1.0 112.783 -172.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 t -54.16 -61.75 2.1 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 127.014 2.125 . . . . 1.0 115.032 173.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.434 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -59.86 -58.78 7.09 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 129.238 3.015 . . . . 1.0 111.264 178.137 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -39.16 49.28 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.767 2.827 . . . . 1.0 115.222 172.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.49 66.73 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.76 1.163 . . . . 1.0 110.648 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.22 -36.93 66.51 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.923 1.289 . . . . 1.0 113.721 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -64.94 -53.48 45.68 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.944 2.498 . . . . 1.0 113.439 171.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.8 t -54.86 -48.8 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 125.023 1.329 . . . . 1.0 110.763 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.406 ' HZ1' ' CG ' ' A' ' 84' ' ' ASP . 6.9 mmtm -53.44 -52.14 60.38 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.445 1.898 . . . . 1.0 112.549 172.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -53.07 -20.11 3.37 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 127.115 2.166 . . . . 1.0 115.417 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -100.02 -59.16 1.76 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.24 2.216 . . . . 1.0 114.185 173.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.28 -63.87 1.31 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 128.198 2.599 . . . . 1.0 113.598 -175.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' CG ' ' HZ1' ' A' ' 80' ' ' LYS . 4.9 m-20 -70.12 6.72 1.17 Allowed 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 127.469 2.308 . . . . 1.0 114.868 172.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.204 0 C-N-CA 130.919 3.688 . . . . 1.0 117.262 -171.441 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.456 ' H2 ' ' CD ' ' B' ' 128' ' ' GLU . . . . . . . . 0 N--CA 1.473 1.164 0 N-CA-C 107.936 -2.065 . . . . 1.0 107.936 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.05 107.54 6.5 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.062 2.145 . . . . 1.0 106.422 171.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.456 ' CD ' ' H2 ' ' B' ' 126' ' ' GLY . 24.2 mp0 -136.98 165.09 26.82 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.644 1.578 . . . . 1.0 113.961 -171.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -139.27 141.38 37.8 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 128.563 2.745 . . . . 1.0 111.597 174.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -97.71 88.61 4.37 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.255 1.422 . . . . 1.0 110.057 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -106.95 97.99 7.7 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.513 1.925 . . . . 1.0 110.584 -172.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -124.32 127.3 47.41 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.368 2.267 . . . . 1.0 111.627 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -89.93 151.47 21.7 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 114.576 1.325 . . . . 1.0 114.576 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.9 101.02 0.23 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.339 2.256 . . . . 1.0 111.682 172.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . 0.294 26.4 m -54.45 -42.05 92.44 Favored Pre-proline 0 N--CA 1.487 1.422 0 CA-C-O 116.48 -1.724 . . . . 1.0 113.417 172.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -80.6 121.96 4.35 Favored 'Trans proline' 0 C--N 1.366 1.452 0 C-N-CA 123.021 2.48 . . . . 1.0 111.521 171.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 4.7 t -91.19 177.04 6.37 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.819 1.648 . . . . 1.0 112.167 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 34.2 mm -78.36 76.01 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 119.853 -1.779 . . . . 1.0 109.593 -176.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -123.62 132.61 53.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 131.673 3.989 . . . . 1.0 112.137 -171.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.58 97.63 9.22 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 106.869 -1.53 . . . . 1.0 106.869 171.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . 0.4 ' HB3' ' H ' ' B' ' 142' ' ' GLY . 8.1 m-20 -163.92 -163.64 0.81 Allowed 'General case' 0 CA--C 1.569 1.682 0 C-N-CA 129.218 3.007 . . . . 1.0 114.734 177.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . 0.4 ' H ' ' HB3' ' B' ' 141' ' ' ASP . . . -52.62 -10.59 0.99 Allowed Glycine 0 CA--C 1.539 1.584 1 C-N-CA 130.726 4.013 . . . . 1.0 120.473 -172.287 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.2 t -56.93 102.39 0.08 Allowed 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 121.06 2.43 . . . . 1.0 114.935 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -81.72 72.94 8.78 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.587 1.555 . . . . 1.0 112.193 175.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 36.9 t -141.5 149.38 40.83 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.691 1.596 . . . . 1.0 113.834 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 159.99 -9.32 0.15 Allowed Glycine 0 CA--C 1.543 1.802 0 C-N-CA 128.798 3.094 . . . . 1.0 116.566 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 55.44 24.39 6.68 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 128.785 2.834 . . . . 1.0 116.218 171.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.65 142.1 48.3 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 118.182 2.66 . . . . 1.0 118.182 -171.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt 176.92 159.36 0.36 Allowed 'General case' 0 N--CA 1.489 1.491 1 C-N-CA 132.834 4.454 . . . . 1.0 110.289 -172.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.253 5.7 tp . . . . . 0 N--CA 1.495 1.794 0 C-N-CA 126.669 1.988 . . . . 1.0 113.858 175.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 112.213 0.449 . . . . 1.0 112.213 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 121.7 41.33 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.471 1.109 . . . . 1.0 111.016 171.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.0 m -121.3 121.52 37.88 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.927 1.691 . . . . 1.0 113.034 -171.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 t -114.37 128.44 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 126.946 2.099 . . . . 1.0 111.403 -172.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mp -116.23 119.74 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 127.003 2.121 . . . . 1.0 112.192 -171.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -99.92 95.93 7.22 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.721 2.008 . . . . 1.0 112.129 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.51 69.84 1.37 Allowed Glycine 0 CA--C 1.532 1.1 0 C-N-CA 128.468 2.937 . . . . 1.0 118.493 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -54.11 -43.3 70.31 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 125.338 1.455 . . . . 1.0 112.025 171.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -86.92 131.74 34.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.17 1.788 . . . . 1.0 114.104 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.1 -14.54 5.93 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 128.171 2.796 . . . . 1.0 117.251 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.516 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.3 p -162.4 139.73 6.29 Favored Pre-proline 0 CA--C 1.562 1.427 0 C-N-CA 128.064 2.546 . . . . 1.0 113.635 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -65.32 -30.38 53.97 Favored 'Trans proline' 0 CA--C 1.548 1.184 0 C-N-CA 123.958 3.106 . . . . 1.0 114.185 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -60.69 -39.0 86.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.84 1.656 . . . . 1.0 113.471 172.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.516 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.8 t -64.47 -39.57 94.06 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.159 1.17 . . . . 1.0 114.159 173.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.5 t -57.98 -51.81 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 117.114 -1.422 . . . . 1.0 109.002 171.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -56.42 -42.24 77.7 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.987 0.915 . . . . 1.0 113.456 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.99 95.14 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.831 1.252 . . . . 1.0 113.001 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -64.18 -56.57 13.79 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.667 1.587 . . . . 1.0 113.078 171.829 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.93 -37.38 14.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.99 2.516 . . . . 1.0 113.774 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.78 -52.85 63.72 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.717 1.607 . . . . 1.0 113.183 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.45 82.37 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.028 1.331 . . . . 1.0 112.335 172.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.93 -49.1 79.12 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.835 1.254 . . . . 1.0 112.639 171.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tmmt? -54.53 -46.93 73.65 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 126.49 1.916 . . . . 1.0 112.485 172.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.24 -44.06 92.37 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.683 1.993 . . . . 1.0 112.502 171.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -60.32 -44.07 95.8 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.962 1.705 . . . . 1.0 113.568 172.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.58 -46.96 85.91 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 126.116 1.766 . . . . 1.0 111.802 171.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.07 -54.48 33.42 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.065 2.146 . . . . 1.0 111.09 -176.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -100.79 162.73 12.71 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 128.445 2.698 . . . . 1.0 115.505 -172.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -41.06 12.89 Favored 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 126.386 1.874 . . . . 1.0 111.343 171.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -53.01 -27.67 20.45 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 130.3 3.44 . . . . 1.0 118.768 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -98.18 110.49 23.06 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 119.797 3.258 . . . . 1.0 119.797 -170.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -103.56 131.62 50.53 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.591 2.756 . . . . 1.0 110.804 171.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.09 136.43 54.15 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.071 2.148 . . . . 1.0 113.175 -175.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -129.91 134.33 47.42 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.851 1.66 . . . . 1.0 112.132 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -107.23 123.45 48.32 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 128.028 2.531 . . . . 1.0 110.469 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.2 t -128.59 118.8 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 127.026 2.13 . . . . 1.0 110.37 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.76 92.01 8.96 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 119.995 -1.69 . . . . 1.0 114.651 -172.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.45 -38.97 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 119.622 -1.924 . . . . 1.0 112.708 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -74.97 -16.29 60.64 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.87 1.268 . . . . 1.0 113.361 174.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.88 -51.99 4.25 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 119.426 1.012 . . . . 1.0 112.792 172.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.8 -9.35 54.32 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 126.677 1.991 . . . . 1.0 116.106 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.26 37.08 6.35 Favored Glycine 0 N--CA 1.483 1.779 0 C-N-CA 126.247 1.88 . . . . 1.0 116.591 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.8 mt -117.34 149.22 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 128.699 2.8 . . . . 1.0 110.002 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -131.96 168.93 17.05 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.051 1.74 . . . . 1.0 115.215 -171.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -44.27 -44.99 8.39 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.461 2.704 . . . . 1.0 112.096 171.535 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -60.22 -36.16 77.08 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.793 1.637 . . . . 1.0 111.747 -178.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -74.93 -50.07 18.03 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.523 1.929 . . . . 1.0 112.015 172.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.21 -45.2 88.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.109 1.764 . . . . 1.0 113.558 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -59.02 -31.37 68.77 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.624 1.342 . . . . 1.0 114.624 174.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -77.26 -47.23 20.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.309 1.844 . . . . 1.0 111.312 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -42.02 76.01 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.879 1.272 . . . . 1.0 112.28 171.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.12 -21.91 60.65 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.132 2.573 . . . . 1.0 116.331 174.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.01 26.28 58.02 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-N 119.291 0.951 . . . . 1.0 112.884 -171.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -139.59 120.35 9.49 Favored Pre-proline 0 N--CA 1.481 1.102 0 C-N-CA 130.883 3.673 . . . . 1.0 108.981 -171.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.49 75.39 1.99 Allowed 'Trans proline' 0 CA--C 1.55 1.284 0 C-N-CA 124.673 3.582 . . . . 1.0 113.814 -172.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.461 ' CG1' HE22 ' A' ' 61' ' ' GLN . 12.4 m -71.19 149.45 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 125.319 1.448 . . . . 1.0 113.257 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 15.4 tp10 -131.79 -21.16 2.48 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 126.689 1.995 . . . . 1.0 113.977 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.7 p -140.11 -179.36 5.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 130.71 3.604 . . . . 1.0 112.797 -173.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.59 154.71 38.42 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 127.759 2.424 . . . . 1.0 111.702 171.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.19 166.67 82.6 Favored 'Cis proline' 0 CA--C 1.544 0.994 0 N-CA-C 116.066 1.526 . . . . 1.0 116.066 7.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.461 HE22 ' CG1' ' A' ' 56' ' ' VAL . 79.4 mm-40 -134.82 76.32 1.62 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.176 2.19 . . . . 1.0 112.56 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.4 mt -111.75 151.21 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 128.819 2.848 . . . . 1.0 114.535 174.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -130.69 110.36 11.31 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.696 2.398 . . . . 1.0 109.056 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.5 t -93.87 138.83 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.768 1.627 . . . . 1.0 109.224 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.304 6.7 p-10 41.66 31.43 0.2 Allowed 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 127.491 2.316 . . . . 1.0 115.168 -171.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.255 60.7 mm-40 74.21 9.44 4.52 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 129.992 3.317 . . . . 1.0 117.07 -174.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -107.71 146.65 31.8 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 128.041 2.536 . . . . 1.0 112.136 172.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -64.96 115.89 5.84 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.857 -1.152 . . . . 1.0 113.327 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.6 mm -133.04 94.68 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 129.134 2.974 . . . . 1.0 104.555 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.57 -58.5 0.01 OUTLIER Glycine 0 N--CA 1.475 1.257 0 C-N-CA 128.99 3.186 . . . . 1.0 116.42 -172.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.77 -142.08 13.53 Favored Glycine 0 C--O 1.218 -0.864 0 C-N-CA 127.303 2.383 . . . . 1.0 111.517 -173.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -32.29 -51.08 0.25 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 127.164 2.186 . . . . 1.0 114.312 -175.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t -60.65 -61.47 2.56 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 121.164 1.802 . . . . 1.0 115.019 171.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.2 -57.38 11.7 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 130.153 3.381 . . . . 1.0 110.67 -178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -37.62 62.99 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.147 2.579 . . . . 1.0 114.36 171.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.8 -41.43 91.91 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.252 1.387 . . . . 1.0 111.996 171.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.95 97.67 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.382 1.073 . . . . 1.0 111.273 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -57.28 -53.19 60.88 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.057 2.143 . . . . 1.0 111.175 171.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.3 t -51.55 -52.76 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.845 2.058 . . . . 1.0 111.983 172.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -53.01 59.08 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 120.535 1.516 . . . . 1.0 111.707 172.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.47 -13.37 3.52 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 127.863 2.465 . . . . 1.0 115.553 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -100.37 -59.33 1.73 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 128.171 2.588 . . . . 1.0 112.849 171.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.6 mt -72.74 -62.37 1.48 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.651 2.381 . . . . 1.0 112.981 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.08 0.56 9.23 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.114 2.566 . . . . 1.0 115.367 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.451 0 C-N-CA 129.949 3.299 . . . . 1.0 114.856 172.444 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.447 ' H2 ' ' CD ' ' B' ' 128' ' ' GLU . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 107.966 -2.053 . . . . 1.0 107.966 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.01 107.57 6.52 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.705 2.002 . . . . 1.0 106.43 171.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.447 ' CD ' ' H2 ' ' B' ' 126' ' ' GLY . 25.3 mp0 -137.2 170.43 16.11 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.491 1.917 . . . . 1.0 113.53 -171.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -100.29 132.45 45.66 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.886 1.674 . . . . 1.0 111.333 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -103.94 89.16 3.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.818 1.647 . . . . 1.0 110.684 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -106.83 98.45 8.11 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.051 1.74 . . . . 1.0 112.002 -172.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -100.81 161.15 13.79 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.676 2.79 . . . . 1.0 116.614 -171.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -116.91 171.89 7.61 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 128.489 2.716 . . . . 1.0 115.676 -175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.5 HD12 ' H ' ' B' ' 134' ' ' LEU . 0.0 OUTLIER -54.59 98.44 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 128.578 2.751 . . . . 1.0 114.964 177.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . 0.501 ' H ' ' HD2' ' B' ' 136' ' ' PRO 0.322 3.8 m -137.4 -42.08 0.02 OUTLIER Pre-proline 0 N--CA 1.493 1.702 0 C-N-CA 127.458 2.303 . . . . 1.0 113.568 171.484 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . 0.501 ' HD2' ' H ' ' B' ' 135' ' ' VAL . 10.1 Cg_endo -56.45 -37.23 97.6 Favored 'Trans proline' 0 C--N 1.372 1.776 0 CA-C-N 123.221 2.186 . . . . 1.0 111.52 171.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 60.8 m -138.23 107.86 6.23 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.085 2.154 . . . . 1.0 110.035 171.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 8.8 tt -108.66 6.62 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 C-N-CA 127.336 2.254 . . . . 1.0 114.789 -177.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -48.24 125.66 9.76 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.407 1.883 . . . . 1.0 113.048 172.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -105.52 97.74 7.53 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.095 0.958 . . . . 1.0 112.604 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.267 24.1 p30 -160.68 13.18 0.11 Allowed 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 117.578 2.436 . . . . 1.0 117.578 173.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -158.54 72.51 0.23 Allowed Glycine 0 N--CA 1.48 1.626 0 O-C-N 119.838 -1.789 . . . . 1.0 115.834 -174.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 2.9 t -132.16 100.55 5.07 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 126.081 1.752 . . . . 1.0 112.775 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.28 -1.79 12.83 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.587 2.44 . . . . 1.0 117.587 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 26.7 t -123.45 160.13 27.53 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.089 1.756 . . . . 1.0 113.854 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 156.24 -6.38 0.23 Allowed Glycine 0 CA--C 1.542 1.729 0 N-CA-C 117.651 1.82 . . . . 1.0 117.651 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.37 18.02 1.22 Allowed 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 128.499 2.72 . . . . 1.0 116.346 172.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 53.7 t -73.87 123.86 25.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 130.848 3.659 . . . . 1.0 116.028 -171.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.81 -176.75 0.14 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 130.181 3.392 . . . . 1.0 113.637 175.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.499 2.024 0 C-N-CA 127.486 2.314 . . . . 1.0 115.104 174.622 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 tpp . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.535 0.683 . . . . 1.0 111.574 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.79 122.11 41.64 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.057 2.143 . . . . 1.0 111.297 176.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.3 m -117.74 114.09 22.81 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 126.41 1.884 . . . . 1.0 110.952 -172.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 t -110.92 129.38 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 127.141 2.176 . . . . 1.0 110.252 -173.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 mt -113.47 127.37 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 127.666 2.386 . . . . 1.0 110.814 -171.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -115.69 96.17 5.49 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.372 1.469 . . . . 1.0 112.145 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.68 28.6 5.91 Favored Glycine 0 N--CA 1.48 1.616 0 N-CA-C 121.53 3.372 . . . . 1.0 121.53 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -54.47 34.5 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 119.69 1.745 . . . . 1.0 112.354 177.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -71.24 59.84 0.27 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 125.927 1.691 . . . . 1.0 112.912 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.98 -61.34 0.02 OUTLIER Glycine 0 CA--C 1.539 1.549 0 C-N-CA 128.79 3.09 . . . . 1.0 113.938 -172.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -132.37 132.07 22.67 Favored Pre-proline 0 CA--C 1.562 1.414 0 C-N-CA 126.246 1.819 . . . . 1.0 115.746 -172.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -49.0 -40.71 40.86 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 125.293 3.995 . . . . 1.0 116.552 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.1 -39.16 88.92 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.677 1.126 . . . . 1.0 113.514 176.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.4 t -64.26 -40.06 95.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.287 1.435 . . . . 1.0 111.639 171.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.44 -51.97 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.589 1.156 . . . . 1.0 112.876 171.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -52.84 -41.33 64.15 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 120.189 1.359 . . . . 1.0 111.961 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.15 90.83 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 125.298 1.439 . . . . 1.0 114.315 171.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmpt? -58.63 -54.42 47.32 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 127.134 2.174 . . . . 1.0 112.736 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.47 -44.61 65.68 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.625 2.77 . . . . 1.0 112.383 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.62 -50.23 74.33 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.039 1.335 . . . . 1.0 112.467 171.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.0 -43.46 77.69 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.646 1.178 . . . . 1.0 113.278 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.88 -47.83 84.18 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.833 1.653 . . . . 1.0 113.125 171.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -54.0 -46.7 71.81 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 127.369 2.268 . . . . 1.0 112.172 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.29 -55.03 40.07 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.295 2.238 . . . . 1.0 112.694 172.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 t -59.7 -31.73 69.85 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 114.593 1.331 . . . . 1.0 114.593 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.26 -47.27 71.23 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 126.854 2.062 . . . . 1.0 109.834 170.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -66.11 -32.65 74.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.058 2.543 . . . . 1.0 113.743 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -139.78 163.86 31.5 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 116.671 2.1 . . . . 1.0 116.671 176.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -98.11 -13.46 20.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.459 2.303 . . . . 1.0 113.603 171.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -42.65 61.43 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.115 2.166 . . . . 1.0 111.743 171.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -98.35 142.22 30.26 Favored 'General case' 0 CA--C 1.552 1.056 1 C-N-CA 132.193 4.197 . . . . 1.0 114.301 -172.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -133.04 131.1 40.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.891 2.476 . . . . 1.0 111.558 172.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 135.91 49.3 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.544 1.538 . . . . 1.0 113.031 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.17 140.45 50.76 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.212 1.805 . . . . 1.0 111.204 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -123.76 123.43 40.48 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.162 1.785 . . . . 1.0 113.525 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.03 119.1 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 129.704 3.202 . . . . 1.0 111.074 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.66 107.23 5.79 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.162 1.912 . . . . 1.0 116.162 173.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -77.9 -35.44 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 120.687 -1.258 . . . . 1.0 112.044 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -65.27 -37.41 87.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.152 1.381 . . . . 1.0 111.4 171.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.16 -47.94 9.64 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.27 0.841 . . . . 1.0 113.27 179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.29 -8.6 26.03 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.641 1.719 . . . . 1.0 115.641 172.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.3 58.01 3.03 Favored Glycine 0 N--CA 1.484 1.891 0 C-N-CA 127.343 2.401 . . . . 1.0 115.004 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.1 mt -136.02 156.23 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 129.585 3.154 . . . . 1.0 111.994 -171.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 t -131.35 170.07 15.14 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.631 2.772 . . . . 1.0 112.79 -177.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -59.63 -30.0 68.41 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.308 -1.495 . . . . 1.0 114.015 172.433 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -57.13 -51.67 68.36 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.994 1.27 . . . . 1.0 111.508 171.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -57.14 -48.99 77.3 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.258 2.223 . . . . 1.0 112.099 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -66.56 -16.55 64.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.831 1.652 . . . . 1.0 114.868 175.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.18 -47.71 9.85 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.253 1.421 . . . . 1.0 108.254 171.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -57.34 -66.12 0.51 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 128.756 2.822 . . . . 1.0 113.554 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -53.04 -15.21 0.75 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 126.747 2.019 . . . . 1.0 115.708 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.67 -21.27 11.33 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.826 2.85 . . . . 1.0 117.144 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.94 2.31 12.28 Favored Glycine 0 CA--C 1.55 2.264 0 C-N-CA 124.997 1.284 . . . . 1.0 115.116 -171.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -85.29 125.87 68.75 Favored Pre-proline 0 N--CA 1.488 1.428 0 C-N-CA 130.419 3.488 . . . . 1.0 110.707 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -78.5 64.92 8.62 Favored 'Trans proline' 0 CA--C 1.552 1.399 0 C-N-CA 123.822 3.015 . . . . 1.0 112.63 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG13 HE22 ' A' ' 61' ' ' GLN . 3.2 m -73.55 150.65 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 124.862 1.265 . . . . 1.0 113.888 -179.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -130.05 -37.13 1.5 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 127.265 2.226 . . . . 1.0 112.964 172.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . 0.303 19.5 p -130.69 -178.29 4.73 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 127.089 2.156 . . . . 1.0 115.008 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.83 161.7 37.87 Favored Pre-proline 0 N--CA 1.493 1.706 0 C-N-CA 126.924 2.09 . . . . 1.0 112.573 175.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.04 168.22 60.11 Favored 'Cis proline' 0 CA--C 1.553 1.438 0 N-CA-C 115.654 1.367 . . . . 1.0 115.654 0.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.417 HE22 HG13 ' A' ' 56' ' ' VAL . 83.4 mm-40 -137.87 72.05 1.41 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.598 2.359 . . . . 1.0 111.844 -173.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.9 mt -113.95 151.62 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 127.386 2.274 . . . . 1.0 114.573 176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -119.83 118.26 30.32 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.152 2.181 . . . . 1.0 107.928 175.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.6 t -104.56 126.91 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 124.909 1.284 . . . . 1.0 109.055 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 44.54 53.42 7.08 Favored 'General case' 0 CA--C 1.572 1.816 0 C-N-CA 127.762 2.425 . . . . 1.0 110.916 -171.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.15 10.55 0.63 Allowed 'General case' 0 CA--C 1.566 1.585 1 C-N-CA 132.269 4.228 . . . . 1.0 116.205 -171.847 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -104.87 114.83 29.27 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 128.247 2.619 . . . . 1.0 110.552 -175.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.96 107.82 1.99 Allowed 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.673 -1.267 . . . . 1.0 112.149 -174.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.5 mm -97.01 173.85 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.008 1 C-N-CA 132.773 4.429 . . . . 1.0 108.877 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.63 -71.75 1.01 Allowed Glycine 0 CA--C 1.536 1.4 0 O-C-N 118.859 -2.401 . . . . 1.0 109.629 171.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.08 -131.99 5.66 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 127.007 2.241 . . . . 1.0 109.314 -171.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -32.3 -53.44 0.3 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.86 2.464 . . . . 1.0 114.887 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -60.9 -55.67 30.29 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 115.017 1.488 . . . . 1.0 115.017 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -69.75 -51.4 34.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 129.07 2.948 . . . . 1.0 112.585 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -51.05 -45.32 61.31 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 130.38 3.472 . . . . 1.0 112.978 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.95 -50.79 72.18 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.478 1.511 . . . . 1.0 112.529 171.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.41 96.7 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 125.488 1.515 . . . . 1.0 113.778 172.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -56.71 -53.27 59.65 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 128.073 2.549 . . . . 1.0 112.049 171.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.0 t -52.04 -50.12 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 125.664 1.586 . . . . 1.0 111.118 171.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -56.94 -48.06 79.2 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.619 1.168 . . . . 1.0 113.48 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -12.93 7.14 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 127.009 2.123 . . . . 1.0 116.156 171.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -99.73 -57.88 2.04 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 127.733 2.413 . . . . 1.0 112.305 171.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.8 mt -81.76 -55.8 4.4 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 127.816 2.447 . . . . 1.0 114.925 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -71.48 1.86 5.85 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.385 1.474 . . . . 1.0 114.977 172.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 C-N-CA 130.377 3.471 . . . . 1.0 117.077 -172.048 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . 0.464 ' H2 ' ' CD ' ' B' ' 128' ' ' GLU . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 107.674 -2.171 . . . . 1.0 107.674 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.97 107.59 6.55 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.941 2.096 . . . . 1.0 106.09 171.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . 0.464 ' CD ' ' H2 ' ' B' ' 126' ' ' GLY . 23.1 mp0 -136.78 121.47 18.53 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.522 1.529 . . . . 1.0 111.893 -171.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -131.35 140.56 49.74 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.81 2.044 . . . . 1.0 113.706 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -97.79 97.54 9.07 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.282 1.833 . . . . 1.0 107.79 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -106.29 117.43 34.01 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.947 1.699 . . . . 1.0 112.258 -171.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.98 160.88 16.03 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 128.037 2.535 . . . . 1.0 113.903 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -50.33 152.57 1.77 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.361 1.864 . . . . 1.0 114.41 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -49.78 110.48 0.39 Allowed 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 115.813 1.782 . . . . 1.0 115.813 -171.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 9.5 p -71.86 -31.04 1.64 Allowed Pre-proline 0 N--CA 1.489 1.484 0 N-CA-C 116.591 2.071 . . . . 1.0 116.591 172.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -65.51 -12.24 34.08 Favored 'Trans proline' 0 C--N 1.366 1.471 0 CA-C-N 123.348 2.231 . . . . 1.0 116.84 -172.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 46.3 t -91.71 108.94 20.27 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.303 1.441 . . . . 1.0 113.294 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -79.01 104.66 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 126.465 1.906 . . . . 1.0 113.803 -176.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -147.55 99.31 3.1 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.876 2.87 . . . . 1.0 106.044 171.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -101.29 97.62 8.1 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.748 -1.575 . . . . 1.0 106.748 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -153.83 162.02 41.58 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 118.12 2.637 . . . . 1.0 118.12 -170.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 49.38 -7.87 0.01 OUTLIER Glycine 0 N--CA 1.482 1.711 1 C-N-CA 134.475 5.798 . . . . 1.0 122.773 171.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.3 t -91.86 95.24 9.73 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 118.236 2.68 . . . . 1.0 118.236 -172.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -93.52 83.24 4.48 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.663 -1.606 . . . . 1.0 106.663 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 11.5 p -159.58 146.9 16.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.317 2.247 . . . . 1.0 114.085 -173.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 149.86 -7.76 0.8 Allowed Glycine 0 N--CA 1.477 1.402 0 N-CA-C 119.335 2.494 . . . . 1.0 119.335 171.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.24 21.15 2.94 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 116.629 2.085 . . . . 1.0 116.629 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.03 129.89 38.75 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 128.346 2.658 . . . . 1.0 114.216 -172.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt 176.56 119.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 130.457 3.503 . . . . 1.0 110.248 -172.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.33 7.9 tp . . . . . 0 N--CA 1.497 1.901 0 C-N-CA 127.328 2.251 . . . . 1.0 114.053 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.529 0.204 . . . . 1.0 111.288 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -118.6 115.68 25.06 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.334 2.254 . . . . 1.0 112.368 172.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 94.6 m -110.53 116.86 32.12 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.387 1.875 . . . . 1.0 109.889 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.95 121.27 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 128.068 2.547 . . . . 1.0 109.329 -172.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mp -109.01 136.22 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.852 1.661 . . . . 1.0 111.718 -172.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -116.07 111.53 20.43 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.825 1.25 . . . . 1.0 112.372 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.5 24.19 26.77 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 121.83 3.492 . . . . 1.0 121.83 172.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -52.1 -51.65 56.4 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.929 2.092 . . . . 1.0 114.162 -172.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.8 m -63.81 -0.19 0.99 Allowed 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 116.159 1.911 . . . . 1.0 116.159 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.24 -13.31 39.46 Favored Glycine 0 CA--C 1.544 1.859 0 N-CA-C 117.831 1.892 . . . . 1.0 117.831 174.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 12.3 p -167.4 139.48 2.65 Favored Pre-proline 0 CA--C 1.563 1.446 0 N-CA-C 116.994 2.22 . . . . 1.0 116.994 -172.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.11 -33.22 32.2 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 125.15 3.9 . . . . 1.0 115.672 -172.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -66.13 -38.92 89.34 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 120.34 1.427 . . . . 1.0 111.42 172.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.419 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 4.6 t -59.09 -40.23 84.65 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.806 1.242 . . . . 1.0 111.678 171.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.77 -52.4 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 116.133 -1.889 . . . . 1.0 111.085 171.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -59.59 -42.09 91.76 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 120.537 1.517 . . . . 1.0 112.517 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.81 88.08 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.219 1.408 . . . . 1.0 113.806 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.447 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -63.66 -54.41 36.09 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.284 1.433 . . . . 1.0 112.04 172.04 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.07 -38.15 36.95 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.319 2.647 . . . . 1.0 113.079 175.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.58 -51.82 68.18 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 126.411 1.885 . . . . 1.0 112.221 171.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.57 97.84 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.549 1.14 . . . . 1.0 113.606 172.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.82 -45.47 89.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.683 1.593 . . . . 1.0 112.894 172.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -55.12 -50.09 70.1 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 128.32 2.648 . . . . 1.0 112.293 171.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.74 -53.21 60.65 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.953 2.101 . . . . 1.0 112.47 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 t -58.81 -34.99 72.15 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.983 1.713 . . . . 1.0 114.28 173.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -43.91 81.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.207 2.203 . . . . 1.0 112.784 171.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -66.92 -50.68 61.63 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.927 2.091 . . . . 1.0 111.924 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.335 18.1 mtm105 -91.93 -165.65 1.39 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 116.073 1.879 . . . . 1.0 116.073 -171.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -128.56 -5.07 5.29 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.943 2.497 . . . . 1.0 117.36 -171.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -134.0 -15.4 2.31 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 119.093 2.997 . . . . 1.0 119.093 -170.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -97.42 115.09 27.09 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.4 3.08 . . . . 1.0 110.875 -170.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -98.72 132.53 44.03 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 131.088 3.755 . . . . 1.0 113.165 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.06 135.65 54.5 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 127.722 2.409 . . . . 1.0 113.989 -175.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -133.2 149.3 52.03 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 127.663 2.385 . . . . 1.0 113.254 175.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -126.22 123.54 38.41 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.864 1.666 . . . . 1.0 112.868 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -112.87 120.52 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 130.342 3.457 . . . . 1.0 111.343 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.52 86.94 7.35 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 119.594 -1.941 . . . . 1.0 112.497 -173.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -72.15 -39.94 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 119.515 -1.991 . . . . 1.0 110.687 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -7.86 53.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 128.076 2.55 . . . . 1.0 113.638 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.39 -41.31 2.85 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.826 1.417 . . . . 1.0 114.826 172.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -66.23 -24.04 66.53 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.783 1.633 . . . . 1.0 114.734 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.58 29.71 2.61 Favored Glycine 0 N--CA 1.484 1.849 0 N-CA-C 117.721 1.848 . . . . 1.0 117.721 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.4 mt -118.39 159.95 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 128.877 2.871 . . . . 1.0 112.359 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 t -133.95 165.26 25.43 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 127.261 2.224 . . . . 1.0 115.022 -171.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HE2' ' OE2' ' A' ' 46' ' ' GLU 0.263 0.1 OUTLIER -58.85 -25.49 63.31 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.981 1.312 . . . . 1.0 114.43 172.05 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' OE2' ' HE2' ' A' ' 45' ' ' LYS . 8.6 mp0 -61.64 -49.64 75.74 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.644 1.577 . . . . 1.0 110.656 171.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.3 -39.44 86.95 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 127.308 2.243 . . . . 1.0 113.891 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -73.77 -49.55 24.9 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 128.057 2.543 . . . . 1.0 113.195 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -50.55 -32.63 19.02 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 121.352 1.887 . . . . 1.0 113.776 175.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -71.73 -67.17 0.55 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.014 2.126 . . . . 1.0 113.455 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -60.52 -13.66 15.19 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 126.5 1.92 . . . . 1.0 115.666 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.79 -22.7 16.79 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 129.377 3.071 . . . . 1.0 116.544 171.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.11 -31.49 0.94 Allowed Glycine 0 CA--C 1.548 2.12 0 C-N-CA 125.937 1.732 . . . . 1.0 113.554 -171.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -53.77 120.57 23.82 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 131.567 3.947 . . . . 1.0 111.871 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -76.34 68.72 6.75 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.772 2.981 . . . . 1.0 112.301 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.515 ' CG1' HE22 ' A' ' 61' ' ' GLN . 3.3 m -79.92 156.71 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 124.992 1.317 . . . . 1.0 113.788 -175.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -138.52 -40.76 0.5 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 127.234 2.213 . . . . 1.0 112.052 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 47.6 p -109.99 -179.06 3.69 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.926 2.49 . . . . 1.0 113.528 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.42 158.31 38.93 Favored Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 125.679 1.592 . . . . 1.0 110.032 171.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.18 169.71 73.05 Favored 'Cis proline' 0 CA--C 1.545 1.032 0 N-CA-C 115.124 1.163 . . . . 1.0 115.124 4.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.515 HE22 ' CG1' ' A' ' 56' ' ' VAL . 97.0 mm-40 -135.44 67.98 1.47 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 128.306 2.642 . . . . 1.0 110.714 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.5 mt -99.51 151.43 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 126.554 1.941 . . . . 1.0 113.95 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -123.32 117.76 25.99 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.821 2.448 . . . . 1.0 109.234 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.5 t -107.22 128.11 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 125.164 1.386 . . . . 1.0 108.818 175.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 47.19 45.75 16.35 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 127.619 2.368 . . . . 1.0 112.048 -171.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.267 2.0 tm0? 70.64 9.06 6.79 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 130.764 3.626 . . . . 1.0 117.377 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -121.82 151.65 40.38 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.475 1.91 . . . . 1.0 112.133 172.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -73.84 107.76 6.26 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.319 1.97 . . . . 1.0 116.319 -171.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.6 mm -108.9 102.03 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 128.762 2.825 . . . . 1.0 103.996 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -18.62 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.481 1.678 0 C-N-CA 127.453 2.454 . . . . 1.0 116.09 -171.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.55 -137.72 8.72 Favored Glycine 0 C--O 1.219 -0.81 0 C-N-CA 127.574 2.512 . . . . 1.0 107.856 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -33.62 -54.84 0.45 Allowed 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 127.505 2.322 . . . . 1.0 111.225 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.429 HG21 ' H ' ' A' ' 74' ' ' ASP . 1.6 t -50.28 -61.29 2.26 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 128.72 2.808 . . . . 1.0 116.719 171.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.429 ' H ' HG21 ' A' ' 73' ' ' THR . 1.3 t0 -70.14 -44.61 68.54 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.083 2.553 . . . . 1.0 113.384 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.33 -52.73 64.18 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 130.705 3.602 . . . . 1.0 113.273 173.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.62 -46.89 80.67 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.573 1.549 . . . . 1.0 112.681 172.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.89 98.03 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.235 1.014 . . . . 1.0 113.182 172.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -59.95 -53.59 56.03 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.96 1.704 . . . . 1.0 112.221 172.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -51.89 -50.97 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 127.413 2.285 . . . . 1.0 111.445 172.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -56.68 -56.74 17.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.269 1.428 . . . . 1.0 112.627 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -13.25 3.4 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 127.016 2.126 . . . . 1.0 115.022 173.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -100.0 -60.01 1.61 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.479 1.912 . . . . 1.0 114.526 171.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.12 -60.02 2.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.837 2.855 . . . . 1.0 113.179 -173.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -72.73 -14.89 61.65 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 115.256 1.576 . . . . 1.0 115.256 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.322 0 C-N-CA 131.524 3.929 . . . . 1.0 115.468 176.587 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.216 0 N-CA-C 109.179 -1.568 . . . . 1.0 109.179 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.27 107.33 6.34 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.362 1.465 . . . . 1.0 108.028 171.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -136.81 118.84 15.35 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.662 1.985 . . . . 1.0 109.86 -173.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -101.3 126.89 48.09 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.76 2.133 . . . . 1.0 116.76 -171.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -140.97 88.56 2.18 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.899 2.48 . . . . 1.0 110.424 171.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -125.99 98.42 5.5 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.069 1.348 . . . . 1.0 111.225 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -127.81 88.68 2.81 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.602 1.561 . . . . 1.0 114.42 -171.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -51.8 123.31 9.9 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 126.397 1.879 . . . . 1.0 113.376 175.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . 0.431 HD22 ' H ' ' B' ' 134' ' ' LEU . 0.8 OUTLIER -79.35 97.46 6.33 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 123.766 0.827 . . . . 1.0 112.094 176.455 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.5 m -72.72 -28.58 1.03 Allowed Pre-proline 0 N--CA 1.489 1.499 0 N-CA-C 117.257 2.317 . . . . 1.0 117.257 172.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.32 110.34 2.65 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 123.191 2.594 . . . . 1.0 110.694 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 2.8 p -91.35 107.63 19.34 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.046 1.338 . . . . 1.0 111.275 -173.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 15.2 pt -135.28 -45.02 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 127.835 2.454 . . . . 1.0 111.704 172.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.76 117.12 2.49 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.992 1.269 . . . . 1.0 112.029 172.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.63 96.09 3.88 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 124.235 1.969 . . . . 1.0 112.931 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . 0.426 ' HB3' ' H ' ' B' ' 142' ' ' GLY 0.376 5.7 t70 -165.44 -111.74 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.069 1 C-N-CA 132.907 4.483 . . . . 1.0 110.047 170.712 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . 0.426 ' H ' ' HB3' ' B' ' 141' ' ' ASP . . . -59.82 19.18 0.03 OUTLIER Glycine 0 CA--C 1.545 1.93 1 C-N-CA 133.532 5.349 . . . . 1.0 117.764 171.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.92 108.15 0.48 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 128.855 2.862 . . . . 1.0 115.747 -177.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . 0.264 4.2 pt-20 -134.96 62.83 1.63 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 127.489 2.316 . . . . 1.0 113.14 171.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.11 143.89 42.77 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.78 1.632 . . . . 1.0 115.358 174.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 158.83 -14.3 0.23 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 127.306 2.384 . . . . 1.0 116.919 171.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 52.91 19.65 1.39 Allowed 'General case' 0 CA--C 1.57 1.726 0 C-N-CA 127.573 2.349 . . . . 1.0 114.681 177.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 11.3 t -73.71 135.25 43.64 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 131.522 3.929 . . . . 1.0 115.647 -171.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt 177.31 163.43 0.53 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 131.106 3.762 . . . . 1.0 110.778 -171.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.491 1.609 0 C-N-CA 124.296 1.039 . . . . 1.0 113.019 171.63 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 121.964 0.887 . . . . 1.0 111.583 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.4 HE22 ' HB2' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -119.07 121.53 40.04 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.907 2.083 . . . . 1.0 111.311 174.024 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 m -117.98 113.5 21.77 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 125.972 1.709 . . . . 1.0 111.351 -172.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 t -110.53 135.88 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 126.764 2.025 . . . . 1.0 112.094 -171.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mt -118.03 123.26 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 128.063 2.545 . . . . 1.0 111.117 -171.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -112.32 103.44 11.57 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.782 2.033 . . . . 1.0 111.739 -173.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.67 72.99 1.13 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.352 1.929 . . . . 1.0 117.244 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -83.62 -46.29 12.52 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.93 1.292 . . . . 1.0 112.583 171.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -63.86 87.37 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 130.375 3.47 . . . . 1.0 112.324 -171.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.41 -13.25 6.26 Favored Glycine 0 CA--C 1.543 1.82 0 C-N-CA 126.543 2.02 . . . . 1.0 117.478 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 11.6 p -135.2 119.76 13.52 Favored Pre-proline 0 CA--C 1.554 1.132 0 CA-C-N 120.396 2.098 . . . . 1.0 116.013 172.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -68.6 -26.05 34.01 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 123.961 3.107 . . . . 1.0 114.593 -171.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -68.53 -38.72 81.1 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.701 0.8 . . . . 1.0 112.84 172.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.441 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 3.3 t -60.22 -41.29 92.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.72 1.208 . . . . 1.0 110.547 171.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.8 -50.7 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-O 116.168 -1.872 . . . . 1.0 111.019 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -49.24 -42.28 40.18 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 121.78 2.082 . . . . 1.0 112.116 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.2 83.65 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 126.221 1.808 . . . . 1.0 114.503 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -55.51 33.71 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 127.46 2.304 . . . . 1.0 111.798 171.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -52.34 -44.35 65.12 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.533 2.733 . . . . 1.0 112.31 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.26 -50.17 72.79 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.957 1.703 . . . . 1.0 113.709 172.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.76 -45.03 74.16 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.036 0.934 . . . . 1.0 111.871 172.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.71 -44.2 96.87 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.477 1.911 . . . . 1.0 112.47 171.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -53.54 -50.86 64.6 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 128.195 2.598 . . . . 1.0 110.85 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.65 -47.14 87.57 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.85 2.06 . . . . 1.0 113.977 171.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.1 -48.56 70.59 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.58 1.552 . . . . 1.0 113.568 175.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -66.63 -45.3 79.5 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 129.614 3.166 . . . . 1.0 113.63 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -64.82 -35.02 79.77 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.889 1.675 . . . . 1.0 113.044 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.299 10.1 mtm105 -108.59 -177.73 3.4 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.871 2.069 . . . . 1.0 113.407 -178.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -113.3 -28.88 7.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 129.057 2.943 . . . . 1.0 116.365 -170.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.63 -15.15 15.37 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 116.851 2.167 . . . . 1.0 116.851 -171.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.38 123.97 41.39 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 129.752 3.221 . . . . 1.0 110.503 -171.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -123.57 131.65 53.68 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.744 2.018 . . . . 1.0 111.827 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -108.71 136.26 48.58 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 127.05 2.14 . . . . 1.0 113.881 -172.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.4 ' HB2' HE22 ' A' ' 2' ' ' GLN . 0.0 OUTLIER -129.68 133.74 47.25 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.42 1.488 . . . . 1.0 111.415 -173.746 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -115.66 123.9 49.53 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.694 1.997 . . . . 1.0 114.931 -176.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -126.47 115.71 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 129.274 3.03 . . . . 1.0 112.934 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.431 0.0 OUTLIER -78.06 88.87 4.18 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 115.787 1.773 . . . . 1.0 115.787 171.253 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.25 -38.05 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.522 1.529 . . . . 1.0 110.234 171.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -9.64 57.31 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 129.506 3.122 . . . . 1.0 114.413 174.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -122.31 -45.14 2.23 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 114.1 1.148 . . . . 1.0 114.1 175.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -63.22 -31.65 72.85 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 127.979 2.511 . . . . 1.0 114.056 172.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.98 63.12 0.68 Allowed Glycine 0 N--CA 1.484 1.891 0 C-N-CA 126.4 1.952 . . . . 1.0 114.168 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.2 mp -143.72 159.15 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 129.492 3.117 . . . . 1.0 108.709 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -150.29 169.94 20.18 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.668 1.187 . . . . 1.0 114.148 -171.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -33.41 22.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.898 2.479 . . . . 1.0 114.288 171.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -59.94 -32.64 70.98 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.974 1.709 . . . . 1.0 111.868 171.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.61 -57.39 3.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.804 2.042 . . . . 1.0 111.346 172.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.2 mt -54.93 -38.45 67.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.441 1.896 . . . . 1.0 112.995 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -64.3 -45.94 85.79 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.5 1.52 . . . . 1.0 112.704 171.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -61.56 -40.45 94.76 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.911 1.684 . . . . 1.0 111.891 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -64.7 -48.01 76.27 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 126.708 2.003 . . . . 1.0 112.406 171.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.85 -22.98 58.37 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.742 2.417 . . . . 1.0 116.996 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.54 -33.04 1.61 Allowed Glycine 0 CA--C 1.545 1.919 0 C-N-CA 125.496 1.522 . . . . 1.0 112.953 -171.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HE3' HG13 ' A' ' 56' ' ' VAL . 38.1 tttp -68.19 118.39 58.51 Favored Pre-proline 0 N--CA 1.482 1.165 0 C-N-CA 128.524 2.73 . . . . 1.0 108.615 171.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.09 56.86 0.05 OUTLIER 'Trans proline' 0 CA--C 1.557 1.668 1 C-N-CA 126.04 4.493 . . . . 1.0 115.959 173.323 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.407 HG13 ' HE3' ' A' ' 54' ' ' LYS . 17.1 m -58.53 143.64 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 O-C-N 120.269 -1.519 . . . . 1.0 113.475 -172.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -125.73 -47.93 1.67 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.422 1.089 . . . . 1.0 112.497 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -105.3 -179.63 4.0 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 128.667 2.787 . . . . 1.0 113.489 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.15 161.73 32.29 Favored Pre-proline 0 N--CA 1.487 1.393 0 C-N-CA 126.877 2.071 . . . . 1.0 110.547 172.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -74.61 169.46 74.15 Favored 'Cis proline' 0 CA--C 1.55 1.306 0 N-CA-C 115.491 1.304 . . . . 1.0 115.491 4.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -140.5 80.4 1.75 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.385 2.274 . . . . 1.0 112.49 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.7 mt -113.37 151.85 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 128.228 2.611 . . . . 1.0 115.294 175.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -129.14 111.62 13.12 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 129.114 2.965 . . . . 1.0 110.316 176.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.9 t -94.81 133.14 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 126.02 1.728 . . . . 1.0 109.433 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 39.96 56.72 2.44 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 129.319 3.048 . . . . 1.0 110.585 -171.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.287 1.5 pt20 54.0 13.47 0.57 Allowed 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 129.792 3.237 . . . . 1.0 119.311 -172.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -124.29 147.22 48.28 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 121.6 2.0 . . . . 1.0 113.423 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -60.83 124.46 20.51 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.949 1.463 . . . . 1.0 114.949 -171.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -138.1 96.98 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 129.117 2.967 . . . . 1.0 104.666 171.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -16.99 -59.01 0.01 OUTLIER Glycine 0 N--CA 1.479 1.559 0 C-N-CA 127.881 2.658 . . . . 1.0 117.837 -172.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.59 -139.56 11.05 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 126.931 2.205 . . . . 1.0 110.707 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.465 ' HH ' ' CG ' ' B' ' 140' ' ' ASP . 13.6 t80 -32.89 -55.07 0.38 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.384 2.274 . . . . 1.0 114.933 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 t -53.93 -61.84 2.04 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 125.934 1.694 . . . . 1.0 114.108 171.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.88 -57.83 4.58 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 129.953 3.301 . . . . 1.0 111.968 -174.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -47.7 -44.97 28.07 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 129.181 2.993 . . . . 1.0 113.734 172.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.74 -50.69 72.97 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.331 0.969 . . . . 1.0 112.178 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.04 92.4 Favored 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 124.552 1.141 . . . . 1.0 113.73 173.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -57.26 -52.98 63.14 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 129.357 3.063 . . . . 1.0 112.567 172.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.48 -46.56 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 127.11 2.164 . . . . 1.0 111.163 171.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -58.31 -36.0 72.69 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.163 1.347 . . . . 1.0 114.101 175.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -56.67 -15.95 5.42 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 120.019 1.281 . . . . 1.0 113.161 170.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -99.86 -59.86 1.64 Allowed 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 129.297 3.039 . . . . 1.0 113.397 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.7 mt -78.92 -29.34 44.1 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 127.793 2.437 . . . . 1.0 116.6 -172.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.45 6.88 37.88 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 128.999 2.919 . . . . 1.0 113.19 172.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.185 0 C-N-CA 129.803 3.241 . . . . 1.0 116.83 -171.516 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.145 0 N-CA-C 107.987 -2.045 . . . . 1.0 107.987 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.18 107.23 6.71 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 106.562 -1.644 . . . . 1.0 106.562 171.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -137.32 165.75 25.44 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.259 1.823 . . . . 1.0 112.914 -171.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -120.39 123.71 43.71 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.396 1.478 . . . . 1.0 113.72 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -140.13 97.17 3.18 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 129.329 3.052 . . . . 1.0 109.559 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.91 139.84 52.77 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.445 2.298 . . . . 1.0 113.765 -172.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -127.7 153.73 46.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.927 2.091 . . . . 1.0 113.794 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -102.75 110.05 21.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.531 1.532 . . . . 1.0 111.392 172.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 81.0 mt -131.72 98.61 4.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.927 1.691 . . . . 1.0 111.937 -173.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 3.7 p -123.63 -27.52 0.05 OUTLIER Pre-proline 0 N--CA 1.488 1.437 0 C-N-CA 127.191 2.196 . . . . 1.0 114.795 171.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -85.54 94.46 0.62 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 123.538 2.825 . . . . 1.0 111.621 172.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 9.3 p -91.07 110.33 21.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.634 1.173 . . . . 1.0 109.182 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 1.5 pp -115.59 1.92 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 115.852 1.797 . . . . 1.0 115.852 -172.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -97.45 118.81 34.76 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.644 2.377 . . . . 1.0 109.765 171.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' ASP . . . . . 0.465 ' CG ' ' HH ' ' A' ' 72' ' ' TYR . 1.2 m-20 -116.01 97.04 5.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.947 0.794 . . . . 1.0 111.377 172.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -153.03 10.09 0.45 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 128.725 2.81 . . . . 1.0 114.522 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 105.81 111.08 3.56 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 117.691 1.836 . . . . 1.0 117.691 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.1 t -128.36 160.76 31.21 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 127.175 2.19 . . . . 1.0 113.707 171.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -126.03 62.62 1.24 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 126.898 2.079 . . . . 1.0 113.217 -173.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 45.2 t -141.57 151.87 43.57 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.126 2.171 . . . . 1.0 114.863 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 149.89 -10.05 0.89 Allowed Glycine 0 CA--C 1.54 1.608 0 C-N-CA 128.041 2.734 . . . . 1.0 117.396 171.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.23 22.29 2.61 Favored 'General case' 0 CA--C 1.572 1.826 0 C-N-CA 126.862 2.065 . . . . 1.0 115.813 171.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 6.5 t -73.4 142.3 46.96 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 131.179 3.792 . . . . 1.0 116.811 -171.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt 177.16 166.71 0.57 Allowed 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 129.857 3.263 . . . . 1.0 114.211 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.6 tp . . . . . 0 N--CA 1.498 1.931 0 C-N-CA 129.913 3.285 . . . . 1.0 114.542 172.359 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.412 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 94.0 mmm . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 118.89 -0.576 . . . . 1.0 110.165 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.33 120.89 38.97 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 126.491 1.917 . . . . 1.0 112.354 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.6 m -120.7 115.18 22.84 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 125.636 1.575 . . . . 1.0 110.162 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.4 t -111.47 132.21 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.418 2.287 . . . . 1.0 111.706 -171.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.52 126.33 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 126.803 2.041 . . . . 1.0 112.255 -171.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.412 ' HB3' HG21 ' A' ' 38' ' ' ILE . 85.5 m-85 -104.72 97.03 6.98 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.191 1.796 . . . . 1.0 113.162 -175.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.99 68.44 1.29 Allowed Glycine 0 CA--C 1.539 1.573 0 C-N-CA 127.343 2.401 . . . . 1.0 118.787 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 25.3 ttt180 -67.55 -60.08 2.84 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 128.095 2.558 . . . . 1.0 109.86 171.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -65.49 72.63 0.05 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.47 2.708 . . . . 1.0 112.202 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.85 -23.89 0.04 OUTLIER Glycine 0 CA--C 1.538 1.49 0 N-CA-C 117.559 1.784 . . . . 1.0 117.559 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.4 p -164.66 144.96 6.19 Favored Pre-proline 0 CA--C 1.553 1.095 0 CA-C-N 119.707 1.754 . . . . 1.0 115.242 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -64.43 -36.82 42.2 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 123.561 2.841 . . . . 1.0 114.579 -172.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . 0.262 7.2 m-30 -68.15 -38.49 82.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 119.115 0.871 . . . . 1.0 112.645 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.537 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.6 t -62.3 -42.9 99.75 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.071 0.949 . . . . 1.0 111.435 171.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.29 -51.62 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-O 118.18 -0.914 . . . . 1.0 110.274 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -54.45 -41.93 70.0 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.695 1.198 . . . . 1.0 111.906 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 72' ' ' TYR . . . -60.98 -46.6 90.07 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 126.026 1.73 . . . . 1.0 113.269 172.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -54.58 45.34 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.248 1.819 . . . . 1.0 112.222 172.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -43.22 63.36 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 128.121 2.568 . . . . 1.0 112.937 176.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -54.3 -48.92 70.74 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.643 1.177 . . . . 1.0 113.298 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.15 91.31 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.825 1.25 . . . . 1.0 113.591 172.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -57.96 -45.27 86.95 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.53 1.532 . . . . 1.0 113.472 172.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.76 -45.03 78.15 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 129.573 3.149 . . . . 1.0 112.586 172.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.9 -43.71 87.41 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.218 1.807 . . . . 1.0 111.29 171.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -57.36 -35.84 70.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.69 1.596 . . . . 1.0 113.658 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -66.3 -47.76 72.55 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.536 2.335 . . . . 1.0 110.705 171.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -63.43 -30.24 71.4 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.436 2.694 . . . . 1.0 113.669 -176.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -133.76 -175.11 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 116.334 1.976 . . . . 1.0 116.334 -172.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -122.02 -27.47 4.58 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 129.957 3.303 . . . . 1.0 115.394 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -68.81 -32.27 71.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 130.756 3.622 . . . . 1.0 116.076 172.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -98.03 102.85 14.72 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.105 2.962 . . . . 1.0 115.423 -171.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -99.3 132.31 44.71 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 128.867 2.867 . . . . 1.0 111.541 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.26 136.39 53.15 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.857 2.463 . . . . 1.0 112.762 -173.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -129.93 133.46 46.85 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.713 -1.242 . . . . 1.0 112.109 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 9.0 t80 -111.11 123.62 50.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.208 1.403 . . . . 1.0 112.531 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 t -124.13 118.57 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 128.209 2.603 . . . . 1.0 110.593 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.309 0.0 OUTLIER -63.97 150.41 45.2 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.296 -1.502 . . . . 1.0 114.007 171.323 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' A' ' 6' ' ' PHE 0.276 2.0 pp -122.21 -45.11 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.831 1.252 . . . . 1.0 111.592 172.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' B' ' 150' ' ' ILE . 13.4 ttm180 -63.14 -41.67 99.34 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.947 1.299 . . . . 1.0 112.432 174.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.2 -55.64 11.56 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.272 0.942 . . . . 1.0 111.34 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.41 -11.42 22.91 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 130.132 3.373 . . . . 1.0 115.453 -172.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.08 16.72 68.93 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 126.393 1.949 . . . . 1.0 115.537 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mt -99.95 159.25 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 128.449 2.699 . . . . 1.0 110.095 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -148.77 169.03 21.37 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 -171.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.3 0.1 OUTLIER -57.25 -25.17 58.74 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.714 1.206 . . . . 1.0 114.232 173.393 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -68.17 -38.0 81.59 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 127.067 2.147 . . . . 1.0 112.079 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.32 -55.14 9.9 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 127.925 2.49 . . . . 1.0 111.28 171.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.0 mt -54.17 -47.3 72.16 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.176 2.191 . . . . 1.0 113.492 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.743 ' HB3' HG22 ' A' ' 56' ' ' VAL . 7.0 pt20 -59.29 -38.95 81.46 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.352 1.242 . . . . 1.0 114.352 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.72 -58.11 8.61 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.973 1.309 . . . . 1.0 111.496 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -50.29 -47.72 55.37 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.083 1.753 . . . . 1.0 114.126 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.02 -23.77 66.62 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.313 1.845 . . . . 1.0 115.757 174.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.64 -1.55 85.61 Favored Glycine 0 CA--C 1.547 2.091 0 C-N-CA 126.92 2.2 . . . . 1.0 117.152 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -126.97 127.11 24.44 Favored Pre-proline 0 N--CA 1.482 1.125 0 C-N-CA 129.672 3.189 . . . . 1.0 111.046 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -56.98 107.38 0.28 Allowed 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.479 3.453 . . . . 1.0 111.792 171.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.743 HG22 ' HB3' ' A' ' 49' ' ' GLN . 24.1 m -96.88 151.38 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.308 1.443 . . . . 1.0 110.815 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.6 -40.53 3.57 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.242 1.417 . . . . 1.0 114.277 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.463 ' HB ' ' H ' ' B' ' 147' ' ' ALA . 37.1 p -139.13 -178.32 5.3 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.27 1.828 . . . . 1.0 112.97 -172.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.37 153.38 65.54 Favored Pre-proline 0 N--CA 1.484 1.23 0 C-N-CA 126.659 1.984 . . . . 1.0 111.505 171.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.76 163.55 87.78 Favored 'Cis proline' 0 CA--C 1.545 1.055 0 N-CA-C 115.253 1.213 . . . . 1.0 115.253 7.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.442 HE22 HG11 ' A' ' 56' ' ' VAL . 85.0 mm-40 -136.06 72.56 1.44 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.718 2.007 . . . . 1.0 111.847 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 84.9 mt -108.93 152.15 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 129.065 2.946 . . . . 1.0 114.43 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -125.59 139.42 53.6 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.997 2.519 . . . . 1.0 109.288 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 t -121.55 135.37 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 126.954 2.101 . . . . 1.0 109.503 172.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.31 0.1 OUTLIER 35.82 53.23 0.85 Allowed 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 128.205 2.602 . . . . 1.0 114.646 -172.416 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 69.1 4.2 4.44 Favored 'General case' 0 CA--C 1.568 1.641 1 C-N-CA 133.284 4.634 . . . . 1.0 115.953 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -103.33 140.38 37.5 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 128.437 2.695 . . . . 1.0 111.157 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -60.78 127.93 34.07 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.554 -1.341 . . . . 1.0 110.518 172.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.8 mm -140.34 98.01 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 129.267 3.027 . . . . 1.0 106.374 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -12.56 -64.25 0.01 OUTLIER Glycine 0 N--CA 1.48 1.599 0 C-N-CA 127.775 2.607 . . . . 1.0 116.496 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.78 -135.4 7.92 Favored Glycine 0 C--O 1.22 -0.742 0 C-N-CA 127.266 2.365 . . . . 1.0 110.068 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.409 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 57.3 t80 -33.25 -47.86 0.21 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.78 2.032 . . . . 1.0 114.468 -173.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 74' ' ' ASP . 11.2 t -62.41 -61.94 2.1 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 127.559 2.344 . . . . 1.0 115.557 171.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.464 ' H ' HG23 ' A' ' 73' ' ' THR . 0.4 OUTLIER -63.99 -51.26 65.12 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.984 2.114 . . . . 1.0 112.421 178.805 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -53.96 -48.39 70.35 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 129.267 3.027 . . . . 1.0 113.625 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.08 67.07 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 120.282 1.401 . . . . 1.0 111.895 172.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.78 -41.45 77.7 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.059 1.344 . . . . 1.0 114.378 173.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -63.65 -53.55 49.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.108 2.963 . . . . 1.0 112.974 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.0 -49.45 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.326 1.85 . . . . 1.0 111.04 172.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -54.03 -46.15 71.79 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.567 2.347 . . . . 1.0 113.371 172.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.91 -13.82 18.32 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 126.564 1.945 . . . . 1.0 114.358 171.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -101.01 -59.53 1.68 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 126.206 1.803 . . . . 1.0 114.445 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.62 -29.81 33.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 127.619 2.367 . . . . 1.0 116.212 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.84 -1.93 18.83 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 127.648 2.379 . . . . 1.0 113.214 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.346 0 C-N-CA 131.28 3.832 . . . . 1.0 114.497 -178.922 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 N--CA 1.485 1.292 0 N-CA-C 119.459 3.133 . . . . 1.0 119.459 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.1 t -128.06 -178.23 4.45 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.349 1.611 . . . . 1.0 115.349 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 160.74 0.07 0.07 OUTLIER Glycine 0 N--CA 1.486 2.033 0 N-CA-C 118.201 2.04 . . . . 1.0 118.201 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 147' ' ' ALA . . . . . 0.463 ' H ' ' HB ' ' A' ' 58' ' ' THR . . . 54.76 18.58 2.18 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 129.417 3.087 . . . . 1.0 117.64 172.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 36.4 t -73.46 146.83 44.68 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.887 2.475 . . . . 1.0 114.224 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt 177.06 179.15 0.23 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 127.745 2.418 . . . . 1.0 114.021 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 150' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 5.8 tp . . . . . 0 N--CA 1.488 1.443 1 C-N-CA 131.885 4.074 . . . . 1.0 115.468 171.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 116.834 -1.555 . . . . 1.0 108.347 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.21 118.59 32.25 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 117.679 2.474 . . . . 1.0 117.679 -170.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.8 m -119.59 121.0 38.35 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 126.109 1.763 . . . . 1.0 113.029 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.48 124.33 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 127.656 2.383 . . . . 1.0 111.291 -173.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -113.19 121.34 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 C-N-CA 125.641 1.576 . . . . 1.0 112.687 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -99.91 111.12 23.44 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.087 1.755 . . . . 1.0 113.634 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.04 54.7 3.12 Favored Glycine 0 CA--C 1.54 1.605 0 N-CA-C 119.53 2.572 . . . . 1.0 119.53 169.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -65.32 -54.44 29.06 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 119.721 1.76 . . . . 1.0 113.325 171.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -62.39 92.49 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.319 2.648 . . . . 1.0 113.625 -169.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.46 -0.51 8.06 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 118.682 2.233 . . . . 1.0 118.682 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 p -141.37 116.91 7.2 Favored Pre-proline 0 CA--C 1.556 1.186 0 CA-C-N 120.509 2.155 . . . . 1.0 113.409 173.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -61.33 -27.74 83.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 124.451 3.434 . . . . 1.0 115.66 -169.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -68.67 -38.58 80.51 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.69 0.796 . . . . 1.0 111.456 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -68.99 -38.61 79.41 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.852 2.061 . . . . 1.0 113.201 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.7 t -53.25 -54.27 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.707 1.203 . . . . 1.0 111.626 170.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -57.54 -42.07 82.22 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.247 1.419 . . . . 1.0 111.469 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.58 69.23 Favored 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 115.161 1.541 . . . . 1.0 115.161 171.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -53.5 50.81 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.026 1.331 . . . . 1.0 113.315 173.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -52.92 -41.95 64.94 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.981 2.112 . . . . 1.0 112.597 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.25 -48.05 74.54 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.55 1.94 . . . . 1.0 113.883 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.54 95.8 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.893 1.277 . . . . 1.0 113.99 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.86 -41.85 96.7 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.313 1.445 . . . . 1.0 114.259 173.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -52.2 -52.17 53.79 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 128.923 2.889 . . . . 1.0 110.947 169.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.08 -48.66 80.68 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 126.507 1.923 . . . . 1.0 113.784 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t -56.5 -36.38 69.1 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.674 1.59 . . . . 1.0 114.76 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -42.42 75.09 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.398 2.279 . . . . 1.0 114.497 169.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -63.43 -26.24 68.64 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.464 1.906 . . . . 1.0 113.373 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -137.25 171.52 14.37 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 116.74 2.126 . . . . 1.0 116.74 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -112.11 -1.03 15.43 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 127.286 2.234 . . . . 1.0 115.39 171.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.8 p-10 -85.26 -32.91 22.31 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.75 2.02 . . . . 1.0 114.769 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -95.97 104.65 16.6 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 129.106 2.962 . . . . 1.0 112.734 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -95.8 133.16 40.26 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 130.278 3.431 . . . . 1.0 110.152 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 138.67 54.26 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.317 1.447 . . . . 1.0 114.474 -171.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -128.53 131.14 48.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.629 1.572 . . . . 1.0 111.823 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -109.2 126.64 53.49 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.648 1.579 . . . . 1.0 114.47 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.33 111.87 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 125.443 1.497 . . . . 1.0 112.761 174.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.488 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.291 0.0 OUTLIER -65.09 155.08 35.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 119.333 -2.104 . . . . 1.0 113.56 167.895 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.265 2.0 pp -110.92 -39.44 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 124.608 1.163 . . . . 1.0 111.584 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -70.51 -26.82 63.77 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.218 1.807 . . . . 1.0 113.863 170.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -85.26 -57.16 3.19 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.521 1.528 . . . . 1.0 112.506 173.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.29 -20.92 65.9 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 117.13 2.27 . . . . 1.0 117.13 175.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.3 51.21 4.22 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 125.353 1.454 . . . . 1.0 114.318 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mt -122.46 159.95 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 128.964 2.906 . . . . 1.0 110.676 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -151.88 166.17 32.27 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.47 1.508 . . . . 1.0 114.41 -174.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -37.51 -45.1 0.71 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 129.129 2.972 . . . . 1.0 115.528 170.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 -61.1 -44.43 97.36 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 128.557 2.743 . . . . 1.0 111.606 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -64.8 -54.93 23.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.222 2.209 . . . . 1.0 111.359 171.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt -57.37 -45.1 84.77 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.799 2.04 . . . . 1.0 113.556 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.568 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.9 pt20 -64.49 -36.71 85.08 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 115.018 1.488 . . . . 1.0 115.018 174.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -66.32 -53.28 38.29 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.543 1.065 . . . . 1.0 111.683 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -53.98 -44.12 70.55 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.918 1.687 . . . . 1.0 114.209 171.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.17 -25.57 63.51 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 117.021 2.23 . . . . 1.0 117.021 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.93 -39.27 0.79 Allowed Glycine 0 CA--C 1.548 2.129 0 C-N-CA 126.006 1.765 . . . . 1.0 114.166 -168.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -63.12 125.9 87.91 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 128.732 2.813 . . . . 1.0 110.559 171.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -64.51 105.39 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 123.018 2.479 . . . . 1.0 110.714 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' ' 49' ' ' GLN . 10.3 m -100.69 144.33 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.384 1.474 . . . . 1.0 112.204 174.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -114.35 -35.64 4.9 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.382 1.873 . . . . 1.0 114.283 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.0 p -139.17 -177.3 4.85 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.953 2.101 . . . . 1.0 112.844 -171.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.87 162.32 50.24 Favored Pre-proline 0 N--CA 1.49 1.574 0 C-N-CA 127.599 2.36 . . . . 1.0 111.583 169.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.19 164.91 85.75 Favored 'Cis proline' 0 CA--C 1.544 1.008 0 CA-C-N 120.574 1.241 . . . . 1.0 114.04 -0.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -139.81 80.38 1.77 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.022 2.129 . . . . 1.0 111.1 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.0 mt -110.41 144.52 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 126.715 2.006 . . . . 1.0 112.433 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -115.96 141.8 47.63 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.485 1.514 . . . . 1.0 108.863 170.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.4 t -125.31 129.69 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 C-N-CA 126.091 1.756 . . . . 1.0 110.033 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.35 0.2 OUTLIER 35.47 41.94 0.11 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 128.068 2.547 . . . . 1.0 114.602 -169.434 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 83.32 2.63 0.99 Allowed 'General case' 0 CA--C 1.557 1.248 1 C-N-CA 132.879 4.471 . . . . 1.0 115.562 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.5 140.43 29.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.891 2.077 . . . . 1.0 111.308 176.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -61.23 129.2 40.09 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.226 -0.922 . . . . 1.0 110.873 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.7 mm -126.73 170.89 16.02 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 C-N-CA 129.416 3.087 . . . . 1.0 108.607 170.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.26 -73.31 0.78 Allowed Glycine 0 CA--C 1.538 1.5 0 O-C-N 119.054 -2.278 . . . . 1.0 112.195 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.52 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 136.3 -137.42 9.08 Favored Glycine 0 C--O 1.217 -0.931 0 C-N-CA 128.094 2.759 . . . . 1.0 109.869 -170.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -30.6 -61.12 0.18 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 127.483 2.313 . . . . 1.0 114.446 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 t -44.92 -59.03 2.77 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 128.232 2.613 . . . . 1.0 115.578 170.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.52 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -70.4 -51.88 26.42 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 130.811 3.644 . . . . 1.0 111.673 -177.054 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.52 -46.39 73.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 130.716 3.606 . . . . 1.0 113.509 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.08 -53.81 53.9 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.536 1.534 . . . . 1.0 112.378 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.58 -44.22 76.71 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 125.289 1.436 . . . . 1.0 113.666 173.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -58.13 -52.71 64.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.32 2.248 . . . . 1.0 113.307 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.7 t -55.32 -50.96 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 125.167 1.387 . . . . 1.0 112.001 170.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -49.75 -57.16 7.85 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 126.669 1.988 . . . . 1.0 112.595 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -11.26 3.0 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 116.259 1.948 . . . . 1.0 116.259 172.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -93.8 -60.59 1.72 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.209 -1.557 . . . . 1.0 111.449 169.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.1 mt -82.35 -55.71 4.34 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.624 2.369 . . . . 1.0 114.298 -171.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.09 4.69 25.24 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 128.643 2.777 . . . . 1.0 115.823 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.993 0 C-N-CA 131.271 3.828 . . . . 1.0 118.444 -168.161 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 119.572 3.175 . . . . 1.0 119.572 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.6 t -137.85 -166.96 2.05 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 126.366 1.866 . . . . 1.0 114.187 -174.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 154.8 3.08 0.11 Allowed Glycine 0 N--CA 1.488 2.138 0 C-N-CA 126.719 2.104 . . . . 1.0 117.613 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . 0.26 . . 51.27 19.36 0.74 Allowed 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 118.419 2.748 . . . . 1.0 118.419 168.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 5.1 t -72.29 159.51 33.93 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 128.965 2.906 . . . . 1.0 113.906 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.4 174.27 1.02 Allowed 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 128.052 2.541 . . . . 1.0 111.679 -168.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 150' ' ' ILE . . . . . 0.416 HG22 ' H ' ' B' ' 150' ' ' ILE . 4.7 tp . . . . . 0 N--CA 1.492 1.671 1 C-N-CA 132.7 4.4 . . . . 1.0 115.053 167.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttm . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 112.775 0.657 . . . . 1.0 112.775 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -113.48 123.32 49.75 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.378 1.871 . . . . 1.0 110.839 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.5 m -124.66 121.74 35.55 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.845 1.258 . . . . 1.0 113.845 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -112.16 126.58 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 127.313 2.245 . . . . 1.0 111.812 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mp -118.45 124.42 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 126.616 1.966 . . . . 1.0 113.062 -171.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.73 103.69 13.19 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.032 2.133 . . . . 1.0 112.966 -171.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.24 54.91 3.4 Favored Glycine 0 CA--C 1.541 1.683 0 N-CA-C 118.098 1.999 . . . . 1.0 118.098 171.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -53.06 -27.59 20.74 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 126.401 1.88 . . . . 1.0 115.3 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 t -63.82 126.13 26.62 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 128.606 2.763 . . . . 1.0 117.55 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.41 6.99 67.06 Favored Glycine 0 CA--C 1.543 1.801 0 C-N-CA 127.893 2.663 . . . . 1.0 118.979 170.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.8 p -141.45 120.71 8.15 Favored Pre-proline 0 CA--C 1.557 1.244 0 CA-C-N 120.034 1.917 . . . . 1.0 113.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -60.12 -32.09 94.17 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 123.928 3.085 . . . . 1.0 114.158 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -50.92 -50.77 56.86 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.86 2.064 . . . . 1.0 112.981 171.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -70.93 -40.12 72.25 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.372 1.869 . . . . 1.0 114.177 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.73 -54.53 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 CA-C-O 117.661 -1.162 . . . . 1.0 111.748 172.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -57.36 -43.74 83.78 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.476 1.034 . . . . 1.0 112.149 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.0 -46.71 75.21 Favored 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 114.403 1.26 . . . . 1.0 114.403 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -55.0 20.56 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.751 1.221 . . . . 1.0 113.51 170.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.6 -40.83 66.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.256 2.222 . . . . 1.0 112.587 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -55.58 -48.7 74.39 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 126.153 1.781 . . . . 1.0 113.742 170.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.41 92.89 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 125.844 1.658 . . . . 1.0 114.812 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.37 -44.08 92.78 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.066 1.346 . . . . 1.0 113.353 173.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -51.36 -53.37 36.94 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.94 2.496 . . . . 1.0 111.118 170.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.98 -45.99 85.9 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.915 1.686 . . . . 1.0 113.173 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 t -62.06 -33.55 74.61 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.303 1.223 . . . . 1.0 114.303 172.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -68.38 -53.34 24.58 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 127.208 2.203 . . . . 1.0 113.028 170.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.73 -34.61 78.26 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 130.238 3.415 . . . . 1.0 114.69 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -118.56 158.93 24.48 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 127.431 2.292 . . . . 1.0 112.668 -171.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -90.39 -32.19 16.55 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 127.644 2.377 . . . . 1.0 113.893 170.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -34.46 78.27 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 129.017 2.927 . . . . 1.0 114.679 -176.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -95.56 117.93 31.33 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.97 2.908 . . . . 1.0 116.566 -167.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.17 135.12 54.16 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.845 2.858 . . . . 1.0 114.149 172.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -117.74 138.62 51.91 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 128.027 2.531 . . . . 1.0 114.313 -172.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -128.45 132.29 48.42 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 127.541 2.336 . . . . 1.0 111.187 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -112.69 125.78 54.68 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.468 1.907 . . . . 1.0 112.482 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -121.68 112.57 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 127.668 2.387 . . . . 1.0 111.893 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.09 70.17 2.04 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 116.215 1.931 . . . . 1.0 116.215 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -55.23 -38.62 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 118.525 -2.609 . . . . 1.0 112.241 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -70.53 -3.86 20.1 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 129.309 3.044 . . . . 1.0 115.205 173.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.51 -41.91 1.99 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.084 1.353 . . . . 1.0 113.338 172.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -61.03 -20.73 62.88 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 129.221 3.008 . . . . 1.0 114.433 171.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.2 30.64 6.22 Favored Glycine 0 N--CA 1.484 1.857 0 C-N-CA 127.428 2.442 . . . . 1.0 116.551 170.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.9 mt -118.22 151.5 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 129.005 2.922 . . . . 1.0 111.453 -170.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 t -134.39 169.62 16.97 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.394 1.627 . . . . 1.0 115.394 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.55 -41.95 22.48 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 128.73 2.812 . . . . 1.0 114.044 171.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -60.54 -38.8 85.62 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.503 2.321 . . . . 1.0 112.608 176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -69.75 -55.12 10.76 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.385 1.474 . . . . 1.0 111.154 169.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 mt -53.38 -40.28 64.88 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.283 1.833 . . . . 1.0 113.879 -174.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.664 ' HB3' HG22 ' A' ' 56' ' ' VAL . 5.6 pt20 -59.25 -48.22 82.43 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.86 1.209 . . . . 1.0 114.153 171.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -64.74 -48.22 75.37 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.942 1.697 . . . . 1.0 111.913 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -37.5 71.48 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.307 2.643 . . . . 1.0 113.81 174.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.0 50.35 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.674 2.39 . . . . 1.0 115.256 169.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.52 18.19 73.44 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.441 1.496 . . . . 1.0 114.354 -170.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -134.58 129.37 19.45 Favored Pre-proline 0 N--CA 1.488 1.474 0 C-N-CA 131.266 3.826 . . . . 1.0 110.152 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -59.58 120.8 8.84 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 122.519 2.146 . . . . 1.0 111.447 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.664 HG22 ' HB3' ' A' ' 49' ' ' GLN . 19.7 m -125.93 145.15 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 126.479 1.911 . . . . 1.0 112.842 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -119.07 -33.38 4.18 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.69 1.996 . . . . 1.0 114.132 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.7 p -136.9 179.42 6.39 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 128.547 2.739 . . . . 1.0 114.385 -170.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.85 160.53 63.49 Favored Pre-proline 0 N--CA 1.491 1.624 0 C-N-CA 124.895 1.278 . . . . 1.0 110.813 168.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.85 166.7 78.36 Favored 'Cis proline' 0 CA--C 1.549 1.269 0 N-CA-C 114.993 1.113 . . . . 1.0 114.993 -0.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -139.2 85.13 2.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.984 2.114 . . . . 1.0 111.559 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.4 mt -119.66 153.14 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 127.941 2.497 . . . . 1.0 113.331 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -128.35 113.73 15.97 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.988 2.115 . . . . 1.0 109.705 171.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.69 146.51 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 C-N-CA 125.533 1.533 . . . . 1.0 109.906 172.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.284 1.4 p30 52.96 6.69 0.06 Allowed 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 128.461 2.704 . . . . 1.0 117.454 -177.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 95.76 9.37 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.555 1 C-N-CA 133.147 4.579 . . . . 1.0 115.317 -171.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -112.09 148.8 33.15 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 127.645 2.378 . . . . 1.0 112.778 171.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.11 111.8 2.1 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.187 -1.57 . . . . 1.0 112.583 173.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.9 mm -123.35 104.89 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 128.328 2.651 . . . . 1.0 105.405 170.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -17.3 -64.52 0.01 OUTLIER Glycine 0 N--CA 1.477 1.378 0 C-N-CA 128.725 3.06 . . . . 1.0 116.708 -170.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.63 -137.61 9.53 Favored Glycine 0 C--O 1.218 -0.901 0 C-N-CA 127.584 2.516 . . . . 1.0 111.336 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -29.93 -54.26 0.16 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 127.347 2.259 . . . . 1.0 115.085 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 t -67.54 -40.42 85.0 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 117.55 2.426 . . . . 1.0 117.55 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -72.56 -60.68 2.11 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 127.281 2.232 . . . . 1.0 112.01 170.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -39.55 69.99 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.322 3.049 . . . . 1.0 114.931 -175.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.04 85.48 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 119.225 0.921 . . . . 1.0 113.132 170.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.34 -43.43 79.05 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.328 1.051 . . . . 1.0 112.214 170.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -58.18 -51.36 70.05 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.311 1.445 . . . . 1.0 112.45 169.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 52.5 t -50.3 -44.15 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.428 -1.42 . . . . 1.0 112.588 170.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -60.62 -43.86 97.0 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 119.862 1.21 . . . . 1.0 112.772 170.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -59.98 -12.05 7.11 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 127.594 2.358 . . . . 1.0 115.185 169.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -101.95 -60.98 1.44 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 127.229 2.212 . . . . 1.0 112.564 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.6 mt -81.77 -52.54 7.02 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.622 1.969 . . . . 1.0 114.456 -171.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -83.73 -4.69 58.83 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.851 2.06 . . . . 1.0 115.809 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 1 C-N-CA 132.5 4.32 . . . . 1.0 117.866 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 118.36 2.726 . . . . 1.0 118.36 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -126.3 174.47 8.54 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 116.04 1.867 . . . . 1.0 116.04 -173.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 141.68 -11.85 2.67 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 129.99 3.662 . . . . 1.0 116.19 171.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.96 15.42 0.25 Allowed 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 127.647 2.379 . . . . 1.0 117.276 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 25.0 t -71.26 127.91 34.14 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.687 1.995 . . . . 1.0 114.661 -169.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.89 174.16 0.93 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 130.636 3.574 . . . . 1.0 112.787 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 N--CA 1.49 1.571 0 C-N-CA 128.874 2.869 . . . . 1.0 114.599 173.136 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mmm . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 119.178 -0.439 . . . . 1.0 110.723 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -109.01 124.78 51.27 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 127.365 2.266 . . . . 1.0 114.519 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.7 m -123.22 117.21 24.79 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 124.671 1.188 . . . . 1.0 112.415 170.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 t -110.51 132.8 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 C-N-CA 126.919 2.088 . . . . 1.0 111.289 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -121.52 126.72 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 125.939 1.696 . . . . 1.0 113.277 -171.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -102.45 109.6 21.3 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.725 2.41 . . . . 1.0 112.957 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.54 60.44 2.64 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 128.111 2.767 . . . . 1.0 119.681 169.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.447 ' H ' ' HE1' ' A' ' 35' ' ' TYR . 11.1 ttt180 -60.17 -45.22 93.85 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 119.815 1.808 . . . . 1.0 110.781 169.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -61.27 110.88 1.53 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.718 2.807 . . . . 1.0 112.353 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.04 -12.44 49.07 Favored Glycine 0 CA--C 1.541 1.695 0 N-CA-C 118.941 2.337 . . . . 1.0 118.941 170.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.82 126.21 17.76 Favored Pre-proline 0 CA--C 1.56 1.355 0 CA-C-N 120.838 2.319 . . . . 1.0 115.431 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.05 -32.52 27.85 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.569 3.513 . . . . 1.0 116.92 -169.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -70.36 -37.5 74.62 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 120.74 1.609 . . . . 1.0 111.45 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -61.42 -40.14 93.33 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.405 1.482 . . . . 1.0 113.249 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.4 t -55.68 -54.94 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.764 0.826 . . . . 1.0 110.777 170.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -58.82 -42.23 88.71 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.04 1.336 . . . . 1.0 111.759 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.17 -52.54 58.48 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.345 1.858 . . . . 1.0 114.693 171.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -51.73 61.74 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.072 1.349 . . . . 1.0 113.201 173.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -49.97 -43.11 50.02 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.334 2.254 . . . . 1.0 112.896 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mp -52.26 -55.67 19.73 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.616 1.967 . . . . 1.0 113.386 169.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.74 98.22 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 125.638 1.575 . . . . 1.0 113.96 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -56.32 -48.53 76.54 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.287 1.835 . . . . 1.0 113.031 171.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -55.91 -43.57 77.45 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 127.992 2.517 . . . . 1.0 113.079 169.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -46.47 89.05 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 126.407 1.883 . . . . 1.0 113.343 171.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -60.89 -32.29 71.75 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.568 1.547 . . . . 1.0 114.132 171.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -42.94 75.63 Favored 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 125.898 1.679 . . . . 1.0 112.362 168.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.49 -22.9 64.52 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 127.851 2.46 . . . . 1.0 114.965 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -138.22 170.34 16.2 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 117.791 2.515 . . . . 1.0 117.791 -170.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -116.38 18.24 15.26 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 128.292 2.637 . . . . 1.0 115.254 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -112.14 -30.01 7.38 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 128.809 2.844 . . . . 1.0 114.732 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -97.22 108.19 20.87 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 129.888 3.275 . . . . 1.0 113.865 -170.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.62 121.16 37.03 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 129.373 3.069 . . . . 1.0 108.531 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.64 138.38 47.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.605 1.162 . . . . 1.0 113.407 177.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -127.57 131.03 50.05 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.25 1.42 . . . . 1.0 111.181 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.447 ' HE1' ' H ' ' A' ' 8' ' ' ARG . 44.6 t80 -110.9 126.04 54.29 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.23 1.412 . . . . 1.0 114.786 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.52 117.53 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 127.02 2.128 . . . . 1.0 111.376 -177.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.305 0.0 OUTLIER -74.12 158.56 33.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 119.452 -2.03 . . . . 1.0 116.057 168.317 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.281 2.1 pp -121.33 -49.48 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 125.802 1.641 . . . . 1.0 112.276 178.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -63.91 -35.22 79.96 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.549 1.54 . . . . 1.0 114.052 171.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.43 -32.48 24.07 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 115.639 1.718 . . . . 1.0 115.639 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -83.43 -34.61 25.43 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.65 1.722 . . . . 1.0 115.65 171.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.03 56.01 0.71 Allowed Glycine 0 CA--C 1.544 1.863 0 C-N-CA 126.677 2.084 . . . . 1.0 114.342 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.9 mt -134.82 155.98 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 128.975 2.91 . . . . 1.0 110.657 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -146.09 166.93 24.66 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 115.729 1.752 . . . . 1.0 115.729 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.55 -47.32 1.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 129.131 2.972 . . . . 1.0 114.054 170.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -59.88 -34.84 73.69 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 127.998 2.519 . . . . 1.0 112.55 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -73.98 -55.47 6.11 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 127.354 2.262 . . . . 1.0 111.254 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.61 -44.73 85.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.207 2.203 . . . . 1.0 113.692 -172.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.586 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.9 pt20 -59.08 -35.42 73.36 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 120.303 1.41 . . . . 1.0 114.033 174.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -69.86 -47.5 62.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.192 1.397 . . . . 1.0 111.972 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -65.17 -26.56 68.21 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 127.121 2.168 . . . . 1.0 115.283 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.57 -35.6 20.95 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 127.162 2.185 . . . . 1.0 116.422 175.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.76 -31.98 2.98 Favored Glycine 0 CA--C 1.547 2.084 0 C-N-CA 126.534 2.016 . . . . 1.0 115.178 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -69.48 126.93 92.95 Favored Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 127.165 2.186 . . . . 1.0 109.383 169.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.64 85.43 0.6 Allowed 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.458 2.772 . . . . 1.0 110.783 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.586 HG22 ' HB3' ' A' ' 49' ' ' GLN . 16.7 m -78.56 149.66 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.943 1.297 . . . . 1.0 112.649 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -122.04 -38.77 2.67 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.535 1.934 . . . . 1.0 113.096 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.6 p -131.96 -176.23 3.99 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.491 2.316 . . . . 1.0 113.19 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.13 164.95 45.79 Favored Pre-proline 0 N--CA 1.493 1.72 0 C-N-CA 126.93 2.092 . . . . 1.0 112.059 169.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -69.97 168.36 68.5 Favored 'Cis proline' 0 CA--C 1.547 1.16 0 CA-C-N 120.236 1.12 . . . . 1.0 114.374 -4.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -138.71 83.81 1.98 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.257 2.223 . . . . 1.0 112.529 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.52 153.66 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 128.872 2.869 . . . . 1.0 113.67 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -132.32 132.58 43.08 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.545 2.338 . . . . 1.0 110.084 176.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.2 t -112.44 134.15 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 126.55 1.94 . . . . 1.0 109.986 172.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.324 0.1 OUTLIER 34.97 45.7 0.17 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 128.776 2.83 . . . . 1.0 113.622 -169.323 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 73.81 1.98 4.09 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 130.48 3.512 . . . . 1.0 117.487 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -94.79 139.52 31.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.709 2.404 . . . . 1.0 111.108 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -61.39 123.21 17.17 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.241 -1.537 . . . . 1.0 112.313 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.7 mm -134.65 93.42 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 130.016 3.326 . . . . 1.0 106.291 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -14.01 -57.55 0.01 OUTLIER Glycine 0 N--CA 1.482 1.736 0 C-N-CA 128.886 3.136 . . . . 1.0 118.514 -170.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.21 -143.38 14.81 Favored Glycine 0 N--CA 1.471 1.025 0 C-N-CA 128.168 2.794 . . . . 1.0 112.037 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -30.05 -60.64 0.17 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.996 2.518 . . . . 1.0 112.993 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 t -49.78 -59.79 3.5 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 127.352 2.261 . . . . 1.0 117.028 170.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.47 -48.24 50.5 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 130.611 3.564 . . . . 1.0 111.935 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -56.69 -45.09 81.99 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 131.159 3.783 . . . . 1.0 113.127 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.17 -49.55 75.62 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 117.673 -1.156 . . . . 1.0 112.794 171.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.48 81.6 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.452 1.101 . . . . 1.0 112.93 172.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -55.87 -56.01 25.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 125.226 1.41 . . . . 1.0 112.974 171.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.47 -45.33 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 125.95 1.7 . . . . 1.0 113.005 174.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -60.46 3.3 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.573 1.949 . . . . 1.0 111.461 173.465 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . 0.252 0.9 OUTLIER -59.5 -10.1 3.07 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 125.916 1.686 . . . . 1.0 115.387 175.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -90.57 -57.01 2.97 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 127.128 2.171 . . . . 1.0 111.444 168.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.8 mt -87.68 -57.07 3.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.194 2.597 . . . . 1.0 114.391 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.01 5.9 1.05 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 127.311 2.244 . . . . 1.0 113.491 168.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.264 1.817 0 C-N-CA 129.103 2.961 . . . . 1.0 115.241 -176.632 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 120.77 3.619 . . . . 1.0 120.77 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 6.1 t -141.23 -164.03 1.67 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 114.754 1.39 . . . . 1.0 114.754 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.58 3.85 0.19 Allowed Glycine 0 N--CA 1.479 1.541 0 C-N-CA 127.01 2.243 . . . . 1.0 117.466 170.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.81 16.64 0.34 Allowed 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 128.71 2.804 . . . . 1.0 117.899 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.45 143.65 48.39 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 129.698 3.199 . . . . 1.0 113.152 -174.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.87 171.69 1.07 Allowed 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 128.1 2.56 . . . . 1.0 112.321 -169.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.497 1.877 0 C-N-CA 128.339 2.656 . . . . 1.0 115.016 169.828 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.699 0.761 . . . . 1.0 110.147 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -112.37 121.14 44.03 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.809 2.444 . . . . 1.0 111.342 172.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 98.3 m -114.84 114.49 25.6 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.817 1.247 . . . . 1.0 109.673 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.8 t -110.08 122.42 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 126.619 1.968 . . . . 1.0 109.783 -171.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.415 HD13 ' HG2' ' A' ' 18' ' ' LYS . 2.0 mp -108.77 123.24 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.132 2.173 . . . . 1.0 112.545 -171.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.498 ' HB3' HG21 ' A' ' 38' ' ' ILE . 98.0 m-85 -106.45 107.12 17.97 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.952 1.701 . . . . 1.0 111.875 -177.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.17 58.52 2.31 Favored Glycine 0 N--CA 1.475 1.292 0 N-CA-C 118.279 2.071 . . . . 1.0 118.279 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 28.9 ttt180 -53.66 -56.1 20.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 126.543 1.937 . . . . 1.0 110.687 171.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -66.5 123.63 20.56 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.778 2.431 . . . . 1.0 113.533 174.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.18 -93.36 0.24 Allowed Glycine 0 CA--C 1.538 1.475 0 C-N-CA 128.294 2.854 . . . . 1.0 111.511 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 13.0 p -81.73 154.18 70.67 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 129.24 3.016 . . . . 1.0 116.548 174.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.42 -39.8 0.51 Allowed 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.869 3.046 . . . . 1.0 115.627 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -62.23 -38.1 87.92 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 121.352 1.887 . . . . 1.0 111.696 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.46 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.2 t -52.63 -45.08 66.5 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.785 1.234 . . . . 1.0 112.902 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.63 -52.24 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-O 118.531 -0.747 . . . . 1.0 110.908 171.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -56.88 -41.26 77.73 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.151 1.38 . . . . 1.0 111.297 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 72' ' ' TYR . . . -61.26 -46.15 91.54 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.481 2.713 . . . . 1.0 113.517 172.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.415 ' HG2' HD13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -60.4 -56.55 20.02 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.671 1.588 . . . . 1.0 111.648 172.272 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.81 -42.57 36.51 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 128.467 2.707 . . . . 1.0 112.516 172.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.43 -46.38 90.23 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 125.99 1.716 . . . . 1.0 112.549 171.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.87 98.18 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 119.476 1.034 . . . . 1.0 112.527 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.46 -43.65 93.15 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.237 1.015 . . . . 1.0 112.594 171.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -53.61 -50.13 66.33 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.435 1.894 . . . . 1.0 110.939 172.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -44.34 89.46 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.676 1.59 . . . . 1.0 114.65 172.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -63.36 -38.08 89.78 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.906 1.282 . . . . 1.0 113.994 172.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -65.7 -45.75 81.58 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 125.998 1.719 . . . . 1.0 110.707 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -66.19 -35.93 81.75 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 129.232 3.013 . . . . 1.0 115.194 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -130.01 151.24 50.78 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 126.318 1.847 . . . . 1.0 115.131 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -78.38 -30.89 48.15 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 129.358 3.063 . . . . 1.0 114.332 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -65.23 -30.38 71.27 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 130.292 3.437 . . . . 1.0 115.451 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -97.55 117.3 31.51 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 123.718 1.723 . . . . 1.0 115.141 -170.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -109.66 132.13 54.43 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 129.027 2.931 . . . . 1.0 110.966 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.28 135.94 54.82 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.991 1.716 . . . . 1.0 113.945 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.92 133.94 47.16 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.957 1.703 . . . . 1.0 111.227 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 15.9 t80 -116.87 123.75 47.81 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.813 1.412 . . . . 1.0 114.813 -176.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 t -120.52 113.9 41.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 128.253 2.621 . . . . 1.0 112.165 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.284 0.0 OUTLIER -77.1 82.76 3.61 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.212 -1.555 . . . . 1.0 114.938 176.274 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.498 HG21 ' HB3' ' A' ' 6' ' ' PHE . 2.3 pp -61.98 -38.72 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 118.601 -2.562 . . . . 1.0 111.874 176.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -6.0 24.89 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.279 3.032 . . . . 1.0 113.545 175.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -128.41 -46.27 1.33 Allowed 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 114.849 1.425 . . . . 1.0 114.849 173.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.51 -10.64 18.8 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 128.547 2.739 . . . . 1.0 115.365 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.01 51.65 2.05 Favored Glycine 0 N--CA 1.483 1.803 0 C-N-CA 126.194 1.854 . . . . 1.0 115.916 171.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.0 mt -142.38 156.3 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.374 1.869 . . . . 1.0 109.998 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -151.11 168.05 25.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.249 1.819 . . . . 1.0 113.658 -171.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -53.49 -25.76 17.77 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.829 1.418 . . . . 1.0 114.829 172.135 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -68.28 -30.65 69.71 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 126.248 1.819 . . . . 1.0 112.508 171.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.88 -52.74 5.79 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.068 2.547 . . . . 1.0 111.039 171.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -54.31 -35.67 62.9 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.981 1.712 . . . . 1.0 113.272 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.716 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.8 pt20 -60.59 -40.43 91.72 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 120.194 1.361 . . . . 1.0 112.836 171.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -70.01 -39.65 75.71 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.593 2.357 . . . . 1.0 112.273 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -66.77 -37.14 84.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.258 1.423 . . . . 1.0 113.987 171.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.58 -17.24 52.02 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.891 2.476 . . . . 1.0 116.44 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.2 17.04 51.27 Favored Glycine 0 CA--C 1.549 2.214 0 CA-C-N 119.8 1.182 . . . . 1.0 113.54 -171.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -126.01 131.7 24.07 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 130.402 3.481 . . . . 1.0 111.592 -171.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.38 79.08 1.17 Allowed 'Trans proline' 0 CA--C 1.549 1.226 0 C-N-CA 123.927 3.085 . . . . 1.0 113.06 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.716 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.7 m -83.83 157.34 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 124.63 1.172 . . . . 1.0 112.438 172.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -140.2 -11.01 1.1 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.203 1.801 . . . . 1.0 114.32 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.7 p -147.83 175.95 10.53 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 129.32 3.048 . . . . 1.0 113.228 -171.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.81 167.96 18.57 Favored Pre-proline 0 N--CA 1.484 1.269 0 C-N-CA 127.467 2.307 . . . . 1.0 111.875 171.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.81 166.13 56.33 Favored 'Cis proline' 0 CA--C 1.549 1.253 0 CA-C-N 119.19 0.746 . . . . 1.0 113.111 -8.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.519 HE22 HG11 ' A' ' 56' ' ' VAL . 90.3 mm-40 -135.01 76.26 1.62 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.266 2.226 . . . . 1.0 110.33 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 27.4 mt -108.4 150.77 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 127.988 2.515 . . . . 1.0 113.924 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -130.23 105.12 7.7 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 128.358 2.663 . . . . 1.0 109.603 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.2 t -90.72 134.49 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.763 1.625 . . . . 1.0 108.919 176.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.259 4.2 m-20 37.11 46.66 0.56 Allowed 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 129.907 3.283 . . . . 1.0 112.353 -171.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.326 1.8 tt0 46.68 51.5 12.15 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 131.011 3.724 . . . . 1.0 115.696 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.77 136.56 27.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 130.914 3.686 . . . . 1.0 108.568 171.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 -60.63 115.21 3.45 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.345 -1.472 . . . . 1.0 114.521 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.7 mm -128.73 97.78 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 128.687 2.795 . . . . 1.0 104.928 171.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -13.41 -61.62 0.01 OUTLIER Glycine 0 N--CA 1.473 1.109 0 C-N-CA 129.046 3.213 . . . . 1.0 116.2 -173.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.18 -149.87 19.51 Favored Glycine 0 C--O 1.224 -0.529 0 C-N-CA 126.813 2.149 . . . . 1.0 108.702 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -35.36 -53.05 0.64 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 125.915 1.686 . . . . 1.0 111.94 -171.752 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.0 t -48.64 -57.64 5.94 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 116.01 1.856 . . . . 1.0 116.01 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -53.6 42.97 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.098 2.559 . . . . 1.0 111.975 172.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.64 -43.61 47.0 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.985 2.914 . . . . 1.0 114.59 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.33 79.37 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.881 2.072 . . . . 1.0 112.802 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.94 97.78 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.819 1.248 . . . . 1.0 112.881 172.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -60.71 -54.32 46.69 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.526 2.33 . . . . 1.0 113.418 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.7 t -52.65 -49.39 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 125.763 1.625 . . . . 1.0 111.416 172.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -50.32 68.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.02 1.728 . . . . 1.0 113.223 172.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.71 -14.43 20.97 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.872 2.069 . . . . 1.0 115.625 171.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -99.74 -59.87 1.64 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 127.203 2.201 . . . . 1.0 113.756 172.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.48 -64.04 1.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.505 2.322 . . . . 1.0 112.979 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.33 6.14 1.46 Allowed 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 127.017 2.127 . . . . 1.0 114.747 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 129.44 3.096 . . . . 1.0 115.369 -178.624 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 117.045 2.239 . . . . 1.0 117.045 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.5 t -48.59 164.41 0.06 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 119.544 3.164 . . . . 1.0 119.544 -170.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -179.46 -7.54 0.02 OUTLIER Glycine 0 CA--C 1.541 1.676 0 C-N-CA 128.572 2.987 . . . . 1.0 116.468 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.23 21.68 2.34 Favored 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 127.11 2.164 . . . . 1.0 115.787 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 13.1 t -74.27 139.16 44.09 Favored 'General case' 0 CA--C 1.551 0.987 1 C-N-CA 132.995 4.518 . . . . 1.0 114.442 -171.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.68 169.83 0.49 Allowed 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 129.522 3.129 . . . . 1.0 114.588 -171.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.498 1.968 0 C-N-CA 129.785 3.234 . . . . 1.0 114.95 172.069 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.44 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 2.6 ttm . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 119.547 -0.263 . . . . 1.0 111.344 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -118.55 121.27 39.83 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.246 1.018 . . . . 1.0 110.987 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 97.6 m -120.64 118.65 30.68 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 125.107 1.363 . . . . 1.0 112.69 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 t -111.05 126.83 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.202 1.801 . . . . 1.0 112.394 -172.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.0 mp -116.93 120.45 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 126.751 2.02 . . . . 1.0 112.105 -172.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.447 ' HB3' HG21 ' A' ' 38' ' ' ILE . 78.1 m-85 -96.1 103.16 15.04 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.966 1.706 . . . . 1.0 112.405 -175.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' HA3' HG13 ' A' ' 38' ' ' ILE . . . 67.83 97.17 0.04 OUTLIER Glycine 0 N--CA 1.48 1.63 0 C-N-CA 129.631 3.491 . . . . 1.0 117.946 176.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -70.37 -51.94 26.15 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 120.011 1.905 . . . . 1.0 112.558 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -63.96 133.8 53.87 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 128.016 2.526 . . . . 1.0 115.844 -172.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.47 -9.38 41.56 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 128.431 2.92 . . . . 1.0 116.664 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 11.2 p -155.03 120.77 2.63 Favored Pre-proline 0 CA--C 1.558 1.254 0 C-N-CA 126.714 2.006 . . . . 1.0 116.013 -172.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -67.89 -27.35 37.15 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 124.584 3.523 . . . . 1.0 113.106 -172.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -64.91 -38.44 90.98 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.639 1.109 . . . . 1.0 111.726 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.495 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.4 t -65.69 -47.99 73.57 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.07 1.348 . . . . 1.0 112.016 171.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -53.84 -52.29 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-O 117.75 -1.119 . . . . 1.0 111.344 172.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -62.83 -41.64 99.41 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.783 1.233 . . . . 1.0 111.588 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.524 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -58.79 -46.67 87.03 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.621 1.169 . . . . 1.0 113.145 172.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -61.57 -54.28 45.2 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.348 1.459 . . . . 1.0 112.527 171.89 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -52.57 -42.64 64.65 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.584 2.754 . . . . 1.0 112.971 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.8 -45.93 91.74 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 126.428 1.891 . . . . 1.0 112.538 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.68 96.9 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.601 1.16 . . . . 1.0 112.448 171.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -56.15 -48.41 76.33 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.534 1.534 . . . . 1.0 111.761 171.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -53.4 -46.71 69.81 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.138 2.575 . . . . 1.0 113.343 172.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.64 -44.35 86.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.564 1.546 . . . . 1.0 113.595 172.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -60.86 -33.92 73.81 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.735 1.152 . . . . 1.0 113.581 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.52 -44.83 81.4 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 127.754 2.422 . . . . 1.0 110.788 170.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -78.5 -31.27 47.61 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 127.172 2.189 . . . . 1.0 114.044 -175.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -122.71 162.16 22.52 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 116.962 2.208 . . . . 1.0 116.962 -171.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -83.02 -38.42 22.63 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 131.199 3.8 . . . . 1.0 114.457 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.19 -22.09 36.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.005 2.122 . . . . 1.0 115.471 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -97.74 110.89 23.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.791 1.636 . . . . 1.0 113.08 -171.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -114.1 130.94 56.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.91 2.484 . . . . 1.0 110.901 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.29 0.0 OUTLIER -111.72 136.66 50.67 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.115 2.566 . . . . 1.0 115.535 -171.585 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -128.97 133.54 47.85 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.661 1.584 . . . . 1.0 110.263 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -113.04 123.48 50.39 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.394 1.477 . . . . 1.0 111.699 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -122.13 113.51 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 126.902 2.081 . . . . 1.0 111.161 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.01 101.29 3.2 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.808 1.41 . . . . 1.0 114.808 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 6' ' ' PHE . 2.2 pp -74.52 -34.67 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 119.643 -1.911 . . . . 1.0 112.281 173.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -78.72 5.12 11.92 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 127.983 2.513 . . . . 1.0 113.019 172.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.26 -32.39 0.86 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 116.238 1.94 . . . . 1.0 116.238 171.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -74.39 -18.32 60.68 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 126.448 1.899 . . . . 1.0 112.285 171.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.17 54.61 1.25 Allowed Glycine 0 N--CA 1.475 1.296 0 C-N-CA 127.632 2.539 . . . . 1.0 114.972 172.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.1 mt -128.85 164.27 31.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 C-N-CA 127.468 2.307 . . . . 1.0 111.681 -172.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.401 ' OG1' ' HE3' ' B' ' 149' ' ' LYS . 2.8 t -149.19 161.41 42.05 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.198 2.599 . . . . 1.0 112.939 -172.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -26.47 23.0 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.482 1.513 . . . . 1.0 113.612 171.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.57 -31.92 72.32 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.419 2.288 . . . . 1.0 112.728 174.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.56 -56.03 4.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.437 2.295 . . . . 1.0 110.553 171.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.4 mt -54.53 -48.44 71.95 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.295 2.238 . . . . 1.0 112.802 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.596 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.7 pt20 -54.57 -40.28 68.6 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.116 1.367 . . . . 1.0 114.192 173.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -72.17 -58.41 3.44 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.505 1.922 . . . . 1.0 111.896 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -51.02 -40.0 57.18 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.395 1.078 . . . . 1.0 113.798 172.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.57 60.6 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 118.067 2.618 . . . . 1.0 118.067 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.02 38.68 24.97 Favored Glycine 0 CA--C 1.544 1.889 0 CA-C-N 120.406 1.457 . . . . 1.0 112.486 -171.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 126.63 11.3 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 128.942 2.897 . . . . 1.0 110.862 -171.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.8 55.93 5.08 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 124.48 3.454 . . . . 1.0 114.839 -172.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.596 HG22 ' HB3' ' A' ' 49' ' ' GLN . 2.9 m -69.24 150.14 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.192 0.997 . . . . 1.0 112.533 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -122.76 -32.53 3.53 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.48 1.112 . . . . 1.0 112.263 171.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.9 p -133.24 -179.08 5.28 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.355 1.862 . . . . 1.0 113.742 -174.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.485 HG21 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -89.82 158.51 44.79 Favored Pre-proline 0 N--CA 1.49 1.55 0 C-N-CA 127.15 2.18 . . . . 1.0 112.585 178.212 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.05 168.99 70.68 Favored 'Cis proline' 0 CA--C 1.542 0.888 0 N-CA-C 114.279 0.838 . . . . 1.0 114.279 4.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -139.35 74.97 1.49 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.74 2.016 . . . . 1.0 111.17 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.524 HD12 ' HB1' ' A' ' 17' ' ' ALA . 81.9 mt -99.31 150.81 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 127.911 2.484 . . . . 1.0 114.969 175.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -133.11 109.07 9.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.369 1.868 . . . . 1.0 109.812 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.16 122.31 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 125.101 1.361 . . . . 1.0 109.085 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.637 0.0 OUTLIER 52.8 17.69 0.9 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 130.257 3.423 . . . . 1.0 117.013 -170.963 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 94.56 5.93 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 1 C-N-CA 132.24 4.216 . . . . 1.0 114.894 -174.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -94.14 134.01 37.03 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 126.771 2.028 . . . . 1.0 109.98 172.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -60.74 107.82 0.75 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.841 0.856 . . . . 1.0 111.676 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.5 mm -126.04 83.79 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 128.945 2.898 . . . . 1.0 106.465 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -8.25 -56.57 0.01 OUTLIER Glycine 0 CA--C 1.542 1.736 0 C-N-CA 129.543 3.449 . . . . 1.0 118.601 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.95 -139.08 12.11 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 127.665 2.555 . . . . 1.0 111.157 -172.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.514 ' H ' ' HB2' ' A' ' 17' ' ' ALA . 37.0 t80 -33.63 -35.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 121.324 2.562 . . . . 1.0 115.153 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -62.28 1.48 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 119.894 -1.754 . . . . 1.0 113.527 170.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -62.6 1.33 Allowed 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 131.786 4.034 . . . . 1.0 114.839 177.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -43.72 -43.49 6.0 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 130.202 3.401 . . . . 1.0 112.929 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.32 70.34 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.293 1.037 . . . . 1.0 112.2 171.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.91 83.99 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.491 1.116 . . . . 1.0 112.875 172.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -58.92 -53.94 52.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.542 1.937 . . . . 1.0 113.651 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.98 -52.03 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 127.173 2.189 . . . . 1.0 110.995 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -52.82 -52.35 57.34 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 128.208 2.603 . . . . 1.0 113.132 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -56.27 -16.58 5.68 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.65 1.722 . . . . 1.0 115.65 173.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -100.11 -59.33 1.73 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 128.446 2.698 . . . . 1.0 113.381 171.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.01 -36.14 49.11 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.166 2.187 . . . . 1.0 116.081 -174.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -94.97 -0.11 54.17 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 127.023 2.129 . . . . 1.0 115.25 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.351 0 C-N-CA 130.428 3.491 . . . . 1.0 115.892 -171.686 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.553 0.216 . . . . 1.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -161.75 150.96 15.98 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.879 2.072 . . . . 1.0 112.654 171.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 153.77 -13.87 0.58 Allowed Glycine 0 N--CA 1.479 1.546 0 N-CA-C 118.376 2.11 . . . . 1.0 118.376 171.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.43 31.21 14.2 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.343 1.857 . . . . 1.0 115.362 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.25 140.22 46.71 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-O 123.227 1.489 . . . . 1.0 112.497 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 149' ' ' LYS . . . . . 0.401 ' HE3' ' OG1' ' A' ' 44' ' ' THR . 14.1 ptmt 176.74 176.91 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 1 C-N-CA 136.203 5.801 . . . . 1.0 107.588 -171.837 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.502 2.137 0 CA-C-N 120.826 1.648 . . . . 1.0 112.955 171.326 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.607 0.718 . . . . 1.0 109.581 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -112.9 121.95 46.18 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 128.015 2.526 . . . . 1.0 110.829 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m -120.52 118.4 30.14 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.913 1.285 . . . . 1.0 112.899 -172.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 t -115.22 121.78 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 126.495 1.918 . . . . 1.0 110.628 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 mp -107.6 122.18 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.728 2.011 . . . . 1.0 111.499 -171.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -103.02 101.36 11.34 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.022 1.729 . . . . 1.0 114.143 -172.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.54 76.41 0.73 Allowed Glycine 0 N--CA 1.48 1.567 0 C-N-CA 128.662 3.029 . . . . 1.0 117.78 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -67.93 -38.78 83.28 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 127.513 2.325 . . . . 1.0 114.454 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -62.93 -23.29 67.31 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 118.27 2.693 . . . . 1.0 118.27 -171.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.99 -9.37 60.88 Favored Glycine 0 CA--C 1.538 1.531 0 N-CA-C 118.967 2.347 . . . . 1.0 118.967 -171.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.0 p -169.48 146.7 2.95 Favored Pre-proline 0 CA--C 1.558 1.259 0 CA-C-N 120.131 1.965 . . . . 1.0 115.882 -171.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.67 -36.67 40.52 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 123.849 3.033 . . . . 1.0 114.903 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -62.03 -38.79 90.04 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.066 1.303 . . . . 1.0 112.293 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.547 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.5 t -63.97 -45.17 90.3 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.823 1.249 . . . . 1.0 111.892 171.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.61 -52.65 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 117.226 -1.369 . . . . 1.0 111.47 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -64.07 -41.07 97.48 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.837 1.655 . . . . 1.0 111.537 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -60.27 -43.45 96.17 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.231 1.413 . . . . 1.0 112.363 171.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -57.79 11.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.504 1.121 . . . . 1.0 109.917 171.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.52 -37.89 3.81 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.499 2.32 . . . . 1.0 113.856 172.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -64.98 -44.91 87.77 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.738 2.415 . . . . 1.0 112.765 171.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.51 98.75 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.39 1.076 . . . . 1.0 111.253 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -60.89 -46.54 90.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.495 -1.378 . . . . 1.0 111.783 171.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -53.95 -43.95 70.3 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 130.534 3.534 . . . . 1.0 112.271 171.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.63 -49.66 65.53 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 127.743 2.417 . . . . 1.0 113.286 172.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 t -58.66 -34.73 71.56 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 125.013 1.325 . . . . 1.0 113.734 172.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -63.93 -42.89 97.23 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 127.586 2.354 . . . . 1.0 111.734 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -81.34 -26.17 35.8 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 128.073 2.549 . . . . 1.0 115.804 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.0 mtm105 -137.42 149.8 47.18 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 126.563 1.945 . . . . 1.0 115.184 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.33 -31.98 48.96 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.527 1.531 . . . . 1.0 114.504 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -62.21 -22.8 66.22 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 131.18 3.792 . . . . 1.0 116.985 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -97.12 116.87 30.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.312 1.045 . . . . 1.0 112.822 -170.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -121.34 119.27 31.68 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.713 2.405 . . . . 1.0 110.908 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.31 0.1 OUTLIER -109.21 137.1 47.62 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 129.55 3.14 . . . . 1.0 117.659 -171.386 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -129.78 133.56 47.06 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.046 2.138 . . . . 1.0 111.353 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -108.01 124.07 49.62 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.015 1.326 . . . . 1.0 113.301 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.49 118.66 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 128.078 2.551 . . . . 1.0 110.37 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 0.0 OUTLIER -74.55 155.02 38.36 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 119.417 -2.052 . . . . 1.0 114.043 172.301 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -129.43 -51.68 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.407 1.483 . . . . 1.0 110.834 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -36.25 83.2 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.334 1.454 . . . . 1.0 112.349 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.82 -32.11 31.41 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 125.817 1.647 . . . . 1.0 113.957 172.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.78 -9.45 58.79 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 127.682 2.393 . . . . 1.0 116.481 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.79 19.63 39.75 Favored Glycine 0 CA--C 1.548 2.1 0 C-N-CA 125.824 1.678 . . . . 1.0 116.854 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.9 mt -118.71 156.74 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 128.92 2.888 . . . . 1.0 110.462 -173.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -142.74 167.98 20.79 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.935 1.828 . . . . 1.0 115.935 -171.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.57 -36.85 25.12 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.278 1.831 . . . . 1.0 113.305 172.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -63.8 -27.19 69.01 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.94 1.696 . . . . 1.0 113.301 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.34 -38.57 17.32 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.255 2.222 . . . . 1.0 113.253 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -67.34 -52.02 45.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.35 2.26 . . . . 1.0 113.043 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.662 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.5 pt20 -44.43 -38.88 4.33 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 126.912 2.085 . . . . 1.0 114.859 175.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -65.16 -65.31 0.69 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.704 2.402 . . . . 1.0 111.555 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -60.8 -21.65 63.34 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.614 1.965 . . . . 1.0 114.842 172.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.93 -17.23 51.22 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.627 2.371 . . . . 1.0 114.508 171.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.25 -38.06 0.68 Allowed Glycine 0 CA--C 1.542 1.739 0 C-N-CA 127.44 2.447 . . . . 1.0 114.275 -171.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -75.24 122.47 87.4 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 128.725 2.81 . . . . 1.0 111.046 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.75 77.39 0.38 Allowed 'Trans proline' 0 CA--C 1.55 1.321 0 C-N-CA 124.323 3.349 . . . . 1.0 111.474 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.662 HG22 ' HB3' ' A' ' 49' ' ' GLN . 11.3 m -68.36 154.38 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 126.183 1.793 . . . . 1.0 112.412 173.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -130.47 -18.28 3.21 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 126.815 2.046 . . . . 1.0 114.197 175.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.5 p -141.83 -178.64 5.77 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 130.479 3.511 . . . . 1.0 113.248 -173.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.12 167.0 14.39 Favored Pre-proline 0 N--CA 1.496 1.873 0 C-N-CA 126.324 1.85 . . . . 1.0 114.501 172.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.81 165.65 73.18 Favored 'Cis proline' 0 C--N 1.36 1.148 0 N-CA-C 114.73 1.012 . . . . 1.0 114.73 -5.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -136.7 80.55 1.82 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.235 2.614 . . . . 1.0 111.15 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.447 HD12 ' HB1' ' A' ' 17' ' ' ALA . 21.1 mt -111.05 151.69 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 128.561 2.745 . . . . 1.0 113.805 172.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -124.73 112.94 17.33 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.655 2.382 . . . . 1.0 109.324 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.423 HG23 ' HB ' ' A' ' 69' ' ' ILE . 17.0 t -107.86 127.81 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 125.908 1.683 . . . . 1.0 109.13 175.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 55.09 66.05 1.34 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 131.183 3.793 . . . . 1.0 110.01 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 57.22 3.32 0.15 Allowed 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 128.596 2.759 . . . . 1.0 116.771 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.88 159.82 40.97 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.795 2.038 . . . . 1.0 113.793 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.23 125.69 24.66 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.984 1.846 . . . . 1.0 115.984 -172.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.423 ' HB ' HG23 ' A' ' 64' ' ' VAL . 47.5 mm -140.53 97.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 129.756 3.223 . . . . 1.0 103.781 171.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -14.71 -59.01 0.01 OUTLIER Glycine 0 N--CA 1.476 1.348 0 C-N-CA 129.141 3.258 . . . . 1.0 117.659 -171.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.48 -147.87 19.17 Favored Glycine 0 C--O 1.221 -0.659 0 C-N-CA 126.421 1.962 . . . . 1.0 109.94 -172.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -34.16 -50.13 0.39 Allowed 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 127.781 2.432 . . . . 1.0 111.994 -173.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -60.18 3.66 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 128.786 2.835 . . . . 1.0 115.322 170.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -51.43 43.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.088 2.155 . . . . 1.0 111.402 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -54.79 19.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.286 2.234 . . . . 1.0 114.194 172.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.19 -49.48 71.8 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.135 0.974 . . . . 1.0 112.249 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.72 95.73 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.375 1.07 . . . . 1.0 113.426 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -60.78 -53.11 61.42 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.191 2.196 . . . . 1.0 112.763 176.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.9 t -56.58 -51.09 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 126.419 1.888 . . . . 1.0 111.137 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -55.07 -54.99 36.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.731 2.012 . . . . 1.0 112.942 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -13.05 1.58 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.67 2.388 . . . . 1.0 115.208 173.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -98.68 -59.9 1.65 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.166 2.186 . . . . 1.0 111.931 171.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.6 mt -78.37 -62.78 1.57 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.98 2.112 . . . . 1.0 113.427 -172.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.55 0.71 7.88 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 128.957 2.903 . . . . 1.0 114.805 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 C-N-CA 130.093 3.357 . . . . 1.0 113.662 -172.865 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.821 0.82 . . . . 1.0 110.832 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -136.2 151.0 49.25 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.518 1.927 . . . . 1.0 112.972 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 161.43 -4.15 0.08 OUTLIER Glycine 0 CA--C 1.538 1.478 0 C-N-CA 126.312 1.911 . . . . 1.0 117.23 171.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.02 18.25 1.63 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 128.34 2.656 . . . . 1.0 116.223 172.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.39 112.92 17.1 Favored 'General case' 0 CA--C 1.544 0.733 1 C-N-CA 132.316 4.246 . . . . 1.0 113.686 -171.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt 177.27 166.59 0.59 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 129.443 3.097 . . . . 1.0 112.332 -171.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.495 1.8 0 C-N-CA 128.356 2.662 . . . . 1.0 116.814 -175.3 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ttm . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.72 -0.181 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.36 124.11 51.75 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.029 1.332 . . . . 1.0 112.027 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.9 m -121.03 122.87 41.04 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 126.846 2.059 . . . . 1.0 111.953 -176.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.1 t -114.71 131.99 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 C-N-CA 126.8 2.04 . . . . 1.0 111.137 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mt -119.95 132.96 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.718 2.007 . . . . 1.0 111.577 -169.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -112.42 116.19 29.91 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.366 1.466 . . . . 1.0 113.855 -176.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.8 72.61 0.81 Allowed Glycine 0 N--CA 1.482 1.717 0 N-CA-C 120.457 2.943 . . . . 1.0 120.457 169.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -63.03 -38.47 91.32 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 126.298 1.839 . . . . 1.0 115.069 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -70.78 117.45 12.31 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.408 2.683 . . . . 1.0 115.057 -171.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.83 -7.11 17.51 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 119.267 2.467 . . . . 1.0 119.267 170.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -157.41 146.49 14.86 Favored Pre-proline 0 CA--C 1.556 1.206 0 CA-C-N 120.541 2.17 . . . . 1.0 115.426 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.72 -41.59 7.99 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 123.631 2.887 . . . . 1.0 114.544 -171.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.5 -37.94 85.5 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.119 0.968 . . . . 1.0 113.448 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -66.67 -38.72 87.4 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.591 1.156 . . . . 1.0 113.935 172.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.6 -54.09 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-O 118.137 -0.935 . . . . 1.0 110.83 170.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -55.47 -44.25 76.26 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.462 1.105 . . . . 1.0 111.495 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.0 69.7 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.225 1.41 . . . . 1.0 114.585 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -52.2 65.73 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.416 1.486 . . . . 1.0 113.058 174.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.82 -36.16 71.86 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.851 1.66 . . . . 1.0 114.463 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mp -62.15 -43.19 99.37 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.109 1.763 . . . . 1.0 113.747 169.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.03 99.22 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.428 1.091 . . . . 1.0 112.668 170.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -60.34 -44.38 95.58 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.158 1.383 . . . . 1.0 113.268 170.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -53.49 -55.61 23.93 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 128.337 2.655 . . . . 1.0 111.343 169.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.5 mt -53.36 -48.15 68.8 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 126.593 1.957 . . . . 1.0 113.482 171.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 t -62.9 -41.04 99.29 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.677 1.591 . . . . 1.0 114.674 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -40.81 95.69 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.684 1.594 . . . . 1.0 112.257 170.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -71.64 -29.26 64.44 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.596 2.359 . . . . 1.0 115.091 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -130.72 160.46 34.26 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 120.872 1.669 . . . . 1.0 115.079 -170.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -76.15 -40.7 52.02 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.505 2.322 . . . . 1.0 114.636 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -85.67 -15.02 43.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.182 2.193 . . . . 1.0 116.649 -170.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -96.32 97.05 9.17 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.429 1.892 . . . . 1.0 114.609 -168.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.61 129.11 44.07 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.794 1.637 . . . . 1.0 109.089 175.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.272 0.0 OUTLIER -110.03 139.14 45.46 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 115.18 1.548 . . . . 1.0 115.18 -177.061 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -126.45 140.47 52.45 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 128.394 2.678 . . . . 1.0 109.94 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -128.5 125.64 38.82 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.954 2.102 . . . . 1.0 112.791 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -120.92 114.61 44.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 129.177 2.991 . . . . 1.0 111.67 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.492 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.289 0.0 OUTLIER -69.93 86.66 0.53 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.839 2.456 . . . . 1.0 117.478 174.516 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.27 -35.71 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 119.82 -1.8 . . . . 1.0 112.784 174.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -77.56 5.93 8.12 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 127.349 2.26 . . . . 1.0 115.126 172.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -126.14 -47.36 1.62 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.594 1.558 . . . . 1.0 112.113 169.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.91 -15.79 34.87 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 127.916 2.486 . . . . 1.0 115.124 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.03 53.03 2.93 Favored Glycine 0 N--CA 1.484 1.835 0 C-N-CA 127.344 2.402 . . . . 1.0 115.478 170.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.1 mt -138.85 162.14 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 127.683 2.393 . . . . 1.0 113.472 -169.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -154.21 169.07 24.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 128.152 2.581 . . . . 1.0 114.137 -173.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -30.31 21.15 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 127.5 2.32 . . . . 1.0 115.781 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -68.05 -39.34 83.05 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 127.29 2.236 . . . . 1.0 111.176 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.49 -50.52 21.08 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.903 2.481 . . . . 1.0 112.131 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 mt -57.37 -47.07 82.62 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.031 1.732 . . . . 1.0 113.057 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.612 ' HB3' HG22 ' A' ' 56' ' ' VAL . 7.4 pt20 -56.07 -27.97 55.66 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.086 1.513 . . . . 1.0 115.086 171.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -80.91 -58.62 3.0 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.995 1.718 . . . . 1.0 111.757 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -57.52 -34.51 69.19 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.286 1.434 . . . . 1.0 114.435 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.5 76.18 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 117.15 2.278 . . . . 1.0 117.15 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.0 16.63 66.69 Favored Glycine 0 CA--C 1.552 2.364 0 C-N-CA 124.584 1.087 . . . . 1.0 114.761 -169.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -126.8 126.81 24.5 Favored Pre-proline 0 N--CA 1.482 1.144 0 C-N-CA 130.84 3.656 . . . . 1.0 108.725 175.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.64 131.12 23.6 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 123.031 2.487 . . . . 1.0 111.223 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.612 HG22 ' HB3' ' A' ' 49' ' ' GLN . 4.3 m -128.77 166.43 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.251 1.82 . . . . 1.0 112.255 175.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -122.11 -48.81 2.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.681 1.192 . . . . 1.0 113.361 171.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 -175.27 3.87 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.6 2.76 . . . . 1.0 111.772 -171.194 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.77 158.89 70.12 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 119.984 -1.697 . . . . 1.0 111.201 171.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.77 170.56 70.11 Favored 'Cis proline' 0 CA--C 1.546 1.109 0 N-CA-C 114.984 1.109 . . . . 1.0 114.984 6.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -145.91 85.46 1.69 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.108 2.163 . . . . 1.0 110.358 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.2 mt -115.75 133.47 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 126.436 1.894 . . . . 1.0 113.392 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -110.05 97.41 6.91 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.833 2.053 . . . . 1.0 110.651 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 t -81.87 143.7 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 C-N-CA 124.807 1.243 . . . . 1.0 108.989 170.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 49.73 17.09 0.24 Allowed 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 116.583 2.068 . . . . 1.0 116.583 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.263 0.0 OUTLIER 72.76 12.14 5.34 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 130.535 3.534 . . . . 1.0 114.992 -169.48 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -91.77 141.29 28.83 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.516 3.126 . . . . 1.0 110.574 170.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -70.66 106.39 3.5 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.818 -1.176 . . . . 1.0 113.808 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.5 mm -99.12 168.79 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 C-N-CA 127.626 2.37 . . . . 1.0 107.599 168.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.17 -69.49 1.36 Allowed Glycine 0 CA--C 1.542 1.734 0 O-C-N 118.789 -2.444 . . . . 1.0 113.157 170.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.426 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 128.45 -137.78 9.91 Favored Glycine 0 N--CA 1.473 1.152 0 C-N-CA 128.388 2.899 . . . . 1.0 109.919 -169.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -30.7 -52.73 0.17 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 127.192 2.197 . . . . 1.0 116.138 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -64.02 0.95 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 126.754 2.022 . . . . 1.0 114.018 170.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.426 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.8 OUTLIER -65.05 -56.9 10.39 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 130.018 3.327 . . . . 1.0 111.035 -178.482 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -35.49 24.42 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 128.037 2.535 . . . . 1.0 114.976 177.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.87 -52.46 56.45 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.267 1.027 . . . . 1.0 112.631 170.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.24 97.45 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.216 1.406 . . . . 1.0 113.433 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -52.98 -50.38 64.25 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.221 2.608 . . . . 1.0 113.793 171.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 63.8 t -60.01 -51.27 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.62 1.168 . . . . 1.0 112.137 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -53.71 -51.65 62.59 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 126.969 2.108 . . . . 1.0 113.452 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -56.37 -13.09 1.96 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 129.176 2.991 . . . . 1.0 114.86 170.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -103.06 -45.07 5.04 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.659 2.384 . . . . 1.0 116.622 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.11 -30.85 13.84 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.538 2.051 . . . . 1.0 116.538 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -107.92 2.46 23.38 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 128.004 2.522 . . . . 1.0 115.58 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.29 0 C-N-CA 130.346 3.458 . . . . 1.0 115.713 178.486 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.751 0.31 . . . . 1.0 111.278 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.54 159.58 43.59 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.204 1.402 . . . . 1.0 114.267 170.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 152.92 -14.39 0.67 Allowed Glycine 0 N--CA 1.476 1.361 0 N-CA-C 118.781 2.272 . . . . 1.0 118.781 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 51.27 26.46 3.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 116.431 2.011 . . . . 1.0 116.431 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.53 110.28 5.32 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 126.565 1.946 . . . . 1.0 109.156 175.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -179.48 143.43 0.19 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 129.47 3.108 . . . . 1.0 112.05 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.386 9.1 tp . . . . . 0 N--CA 1.479 1.009 1 C-N-CA 132.157 4.183 . . . . 1.0 117.882 171.648 . . . . . . . . 2 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -118.77 116.09 25.82 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.921 1.288 . . . . 1.0 111.156 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -117.38 116.2 26.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.489 1.516 . . . . 1.0 112.657 -169.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.97 131.8 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 126.327 1.851 . . . . 1.0 110.996 -173.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.44 118.82 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.145 2.178 . . . . 1.0 112.179 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -98.97 94.72 6.7 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.327 1.851 . . . . 1.0 113.308 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.31 77.89 0.99 Allowed Glycine 0 CA--C 1.545 1.946 0 C-N-CA 127.626 2.536 . . . . 1.0 118.804 169.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -68.2 -48.74 64.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 127.365 2.266 . . . . 1.0 114.266 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -61.25 143.31 55.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.781 1.633 . . . . 1.0 112.326 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.62 -7.07 9.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 128.067 2.746 . . . . 1.0 119.58 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -134.95 113.31 11.56 Favored Pre-proline 0 CA--C 1.562 1.406 0 CA-C-N 121.27 2.535 . . . . 1.0 115.484 172.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -62.57 -33.44 78.14 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 125.269 3.979 . . . . 1.0 115.725 -170.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.02 -36.73 77.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.851 0.86 . . . . 1.0 111.851 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -65.19 -38.59 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.027 2.131 . . . . 1.0 113.689 170.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.82 -54.15 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.856 1.262 . . . . 1.0 112.009 172.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -55.13 -43.92 74.57 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.221 0.918 . . . . 1.0 110.925 174.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.35 77.94 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 114.528 1.307 . . . . 1.0 114.528 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.79 -58.0 10.29 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.292 1.837 . . . . 1.0 112.452 171.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -35.6 71.73 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.81 1.644 . . . . 1.0 114.844 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.54 -43.06 99.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.432 1.493 . . . . 1.0 112.752 168.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.53 97.27 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.986 -1.072 . . . . 1.0 112.199 169.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -60.53 -43.79 96.79 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 1.0 113.774 170.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -51.68 -55.6 18.54 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 128.204 2.601 . . . . 1.0 110.616 170.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.13 -43.81 98.31 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.912 1.685 . . . . 1.0 112.968 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -59.72 -47.33 86.07 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.786 1.635 . . . . 1.0 113.883 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -57.77 -41.3 81.74 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.584 1.954 . . . . 1.0 112.143 169.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.13 -35.47 48.99 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.218 2.607 . . . . 1.0 114.768 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -121.12 173.13 7.48 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 127.229 2.212 . . . . 1.0 115.685 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -92.17 -40.61 10.91 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 128.988 2.915 . . . . 1.0 115.366 -176.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.33 -11.78 48.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.283 2.633 . . . . 1.0 116.908 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -95.75 109.11 21.47 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.028 1.331 . . . . 1.0 114.589 -168.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -123.19 134.42 54.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.907 2.883 . . . . 1.0 112.022 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.279 0.1 OUTLIER -112.52 141.03 46.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.827 2.851 . . . . 1.0 114.534 -172.411 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -126.39 132.18 51.59 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.331 1.852 . . . . 1.0 108.859 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -124.14 125.34 44.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.943 1.697 . . . . 1.0 112.672 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -130.19 113.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 127.632 2.373 . . . . 1.0 111.168 -175.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.567 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -68.01 99.66 0.89 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.888 1.81 . . . . 1.0 115.888 173.624 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.96 -39.11 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 119.409 -2.057 . . . . 1.0 112.527 174.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -69.18 -10.56 58.3 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 127.3 2.24 . . . . 1.0 115.282 171.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -116.68 -44.82 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 119.95 1.25 . . . . 1.0 113.261 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -35.48 78.35 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.349 1.86 . . . . 1.0 113.047 170.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.72 46.73 1.02 Allowed Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.597 2.522 . . . . 1.0 115.723 171.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -124.57 159.34 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 129.213 3.005 . . . . 1.0 110.785 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 163.61 36.55 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.592 1.557 . . . . 1.0 114.543 -171.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -17.87 24.09 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 116.267 1.951 . . . . 1.0 116.267 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.41 -30.73 63.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.22 2.608 . . . . 1.0 112.323 171.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -86.36 -48.32 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.253 2.621 . . . . 1.0 112.861 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -55.05 -38.28 67.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.913 1.285 . . . . 1.0 113.797 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -62.84 -12.36 24.16 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 126.816 2.046 . . . . 1.0 115.39 170.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -101.12 -50.79 3.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 128.758 2.823 . . . . 1.0 110.574 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -50.92 -43.24 59.92 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 126.665 1.986 . . . . 1.0 114.197 171.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.05 60.45 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.186 2.194 . . . . 1.0 116.434 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.46 48.39 11.74 Favored Glycine 0 N--CA 1.479 1.544 0 C-N-CA 125.186 1.374 . . . . 1.0 110.58 -168.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 132.61 8.0 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.811 1.644 . . . . 1.0 113.23 -168.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.75 92.01 0.51 Allowed 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 123.592 2.861 . . . . 1.0 110.918 172.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.26 159.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 127.388 2.275 . . . . 1.0 110.589 172.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -132.67 -26.49 1.79 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.512 1.125 . . . . 1.0 112.815 169.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 p -123.12 178.12 5.24 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 127.963 2.505 . . . . 1.0 113.408 -172.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.08 161.16 32.01 Favored Pre-proline 0 N--CA 1.486 1.341 0 C-N-CA 127.372 2.269 . . . . 1.0 111.426 170.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.61 165.79 82.43 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 N-CA-C 115.087 1.149 . . . . 1.0 115.087 1.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -138.41 81.19 1.84 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.79 2.436 . . . . 1.0 110.912 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.7 mt -113.63 151.98 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 127.833 2.453 . . . . 1.0 113.405 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -133.48 104.73 6.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.029 2.132 . . . . 1.0 109.471 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -89.06 124.6 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 126.115 1.766 . . . . 1.0 109.589 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.447 0.0 OUTLIER 40.94 45.7 2.25 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 127.639 2.375 . . . . 1.0 113.023 -170.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 71.32 4.21 4.97 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 130.23 3.412 . . . . 1.0 117.688 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.13 132.25 43.1 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 127.765 2.426 . . . . 1.0 111.131 173.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.26 107.26 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.029 -1.044 . . . . 1.0 113.171 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.8 mm -122.44 89.52 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 128.103 2.561 . . . . 1.0 105.484 169.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.18 -55.75 0.01 OUTLIER Glycine 0 CA--C 1.539 1.567 0 C-N-CA 129.247 3.308 . . . . 1.0 118.212 -170.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.31 -144.15 15.69 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.791 2.615 . . . . 1.0 111.517 -175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -30.39 -43.32 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 128.378 2.671 . . . . 1.0 116.097 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 t -64.66 -63.8 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.815 2.046 . . . . 1.0 115.13 169.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -55.13 36.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.751 2.82 . . . . 1.0 114.192 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -51.72 -39.95 59.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 129.631 3.172 . . . . 1.0 113.389 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.38 67.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.176 1.39 . . . . 1.0 113.117 171.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.04 90.59 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.735 1.214 . . . . 1.0 112.346 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -56.06 -54.37 45.83 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.569 1.947 . . . . 1.0 113.44 173.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.17 -46.7 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.214 1.006 . . . . 1.0 112.544 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -58.45 -52.02 67.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.914 1.285 . . . . 1.0 113.134 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.84 -12.09 9.83 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.461 1.652 . . . . 1.0 115.461 171.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -97.74 -52.96 3.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.87 1.668 . . . . 1.0 111.782 171.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.1 mt -85.98 -30.07 23.03 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.359 1.985 . . . . 1.0 116.359 -172.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.62 6.85 42.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 126.649 1.98 . . . . 1.0 114.26 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 126.981 2.112 . . . . 1.0 113.574 173.818 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 114.059 1.133 . . . . 1.0 114.059 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 167.52 1.17 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 127.652 2.381 . . . . 1.0 115.453 170.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.94 -13.85 3.34 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 119.864 2.706 . . . . 1.0 119.864 168.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.19 34.89 9.26 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.679 1.74 . . . . 1.0 114.584 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 144.04 51.87 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 126.725 2.01 . . . . 1.0 115.197 -168.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 172.61 0.98 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 130.712 3.605 . . . . 1.0 112.195 -171.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.495 1.799 0 C-N-CA 128.466 2.706 . . . . 1.0 114.147 171.487 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -118.77 116.09 25.82 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.921 1.288 . . . . 1.0 111.156 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -117.38 116.2 26.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.489 1.516 . . . . 1.0 112.657 -169.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.97 131.8 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 126.327 1.851 . . . . 1.0 110.996 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.44 118.82 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.145 2.178 . . . . 1.0 112.179 -169.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -98.97 94.72 6.7 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.327 1.851 . . . . 1.0 113.308 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.31 77.89 0.99 Allowed Glycine 0 CA--C 1.545 1.946 0 C-N-CA 127.626 2.536 . . . . 1.0 118.804 169.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -68.2 -48.74 64.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 127.365 2.266 . . . . 1.0 114.266 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -61.25 143.31 55.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.781 1.633 . . . . 1.0 112.326 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.62 -7.07 9.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 128.067 2.746 . . . . 1.0 119.58 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -134.95 113.31 11.56 Favored Pre-proline 0 CA--C 1.562 1.406 0 CA-C-N 121.27 2.535 . . . . 1.0 115.484 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -62.57 -33.44 78.14 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 125.269 3.979 . . . . 1.0 115.725 -170.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.02 -36.73 77.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.851 0.86 . . . . 1.0 111.851 174.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -65.19 -38.59 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.027 2.131 . . . . 1.0 113.689 170.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.82 -54.15 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.856 1.262 . . . . 1.0 112.009 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -55.13 -43.92 74.57 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.221 0.918 . . . . 1.0 110.925 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.35 77.94 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 114.528 1.307 . . . . 1.0 114.528 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.79 -58.0 10.29 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.292 1.837 . . . . 1.0 112.452 171.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -35.6 71.73 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.81 1.644 . . . . 1.0 114.844 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.54 -43.06 99.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.432 1.493 . . . . 1.0 112.752 168.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.53 97.27 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.986 -1.072 . . . . 1.0 112.199 169.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -60.53 -43.79 96.79 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 1.0 113.774 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -51.68 -55.6 18.54 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 128.204 2.601 . . . . 1.0 110.616 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.13 -43.81 98.31 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.912 1.685 . . . . 1.0 112.968 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -59.72 -47.33 86.07 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.786 1.635 . . . . 1.0 113.883 174.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -57.77 -41.3 81.74 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.584 1.954 . . . . 1.0 112.143 169.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.13 -35.47 48.99 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.218 2.607 . . . . 1.0 114.768 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -121.12 173.13 7.48 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 127.229 2.212 . . . . 1.0 115.685 -170.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -92.17 -40.61 10.91 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 128.988 2.915 . . . . 1.0 115.366 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.33 -11.78 48.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.283 2.633 . . . . 1.0 116.908 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -95.75 109.11 21.47 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.028 1.331 . . . . 1.0 114.589 -168.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -123.19 134.42 54.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.907 2.883 . . . . 1.0 112.022 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.279 0.1 OUTLIER -112.52 141.03 46.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.827 2.851 . . . . 1.0 114.534 -172.411 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -126.39 132.18 51.59 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.331 1.852 . . . . 1.0 108.859 172.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -124.14 125.34 44.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.943 1.697 . . . . 1.0 112.672 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -130.19 113.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 127.632 2.373 . . . . 1.0 111.168 -175.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.567 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -68.01 99.66 0.89 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.888 1.81 . . . . 1.0 115.888 173.624 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.96 -39.11 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 119.409 -2.057 . . . . 1.0 112.527 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -69.18 -10.56 58.3 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 127.3 2.24 . . . . 1.0 115.282 171.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -116.68 -44.82 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 119.95 1.25 . . . . 1.0 113.261 177.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -35.48 78.35 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.349 1.86 . . . . 1.0 113.047 170.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.72 46.73 1.02 Allowed Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.597 2.522 . . . . 1.0 115.723 171.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -124.57 159.34 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 129.213 3.005 . . . . 1.0 110.785 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 163.61 36.55 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.592 1.557 . . . . 1.0 114.543 -171.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -17.87 24.09 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 116.267 1.951 . . . . 1.0 116.267 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.41 -30.73 63.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.22 2.608 . . . . 1.0 112.323 171.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -86.36 -48.32 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.253 2.621 . . . . 1.0 112.861 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -55.05 -38.28 67.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.913 1.285 . . . . 1.0 113.797 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -62.84 -12.36 24.16 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 126.816 2.046 . . . . 1.0 115.39 170.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -101.12 -50.79 3.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 128.758 2.823 . . . . 1.0 110.574 173.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -50.92 -43.24 59.92 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 126.665 1.986 . . . . 1.0 114.197 171.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.05 60.45 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.186 2.194 . . . . 1.0 116.434 172.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.46 48.39 11.74 Favored Glycine 0 N--CA 1.479 1.544 0 C-N-CA 125.186 1.374 . . . . 1.0 110.58 -168.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 132.61 8.0 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.811 1.644 . . . . 1.0 113.23 -168.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.75 92.01 0.51 Allowed 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 123.592 2.861 . . . . 1.0 110.918 172.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.26 159.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 127.388 2.275 . . . . 1.0 110.589 172.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -132.67 -26.49 1.79 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.512 1.125 . . . . 1.0 112.815 169.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 p -123.12 178.12 5.24 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 127.963 2.505 . . . . 1.0 113.408 -172.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.08 161.16 32.01 Favored Pre-proline 0 N--CA 1.486 1.341 0 C-N-CA 127.372 2.269 . . . . 1.0 111.426 170.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.61 165.79 82.43 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 N-CA-C 115.087 1.149 . . . . 1.0 115.087 1.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -138.41 81.19 1.84 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.79 2.436 . . . . 1.0 110.912 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.7 mt -113.63 151.98 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 127.833 2.453 . . . . 1.0 113.405 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -133.48 104.73 6.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.029 2.132 . . . . 1.0 109.471 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -89.06 124.6 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 126.115 1.766 . . . . 1.0 109.589 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.447 0.0 OUTLIER 40.94 45.7 2.25 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 127.639 2.375 . . . . 1.0 113.023 -170.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 71.32 4.21 4.97 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 130.23 3.412 . . . . 1.0 117.688 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.13 132.25 43.1 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 127.765 2.426 . . . . 1.0 111.131 173.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.26 107.26 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.029 -1.044 . . . . 1.0 113.171 175.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.8 mm -122.44 89.52 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 128.103 2.561 . . . . 1.0 105.484 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.18 -55.75 0.01 OUTLIER Glycine 0 CA--C 1.539 1.567 0 C-N-CA 129.247 3.308 . . . . 1.0 118.212 -170.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.31 -144.15 15.69 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.791 2.615 . . . . 1.0 111.517 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -30.39 -43.32 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 128.378 2.671 . . . . 1.0 116.097 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 t -64.66 -63.8 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.815 2.046 . . . . 1.0 115.13 169.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -55.13 36.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.751 2.82 . . . . 1.0 114.192 176.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -51.72 -39.95 59.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 129.631 3.172 . . . . 1.0 113.389 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.38 67.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.176 1.39 . . . . 1.0 113.117 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.04 90.59 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.735 1.214 . . . . 1.0 112.346 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -56.06 -54.37 45.83 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.569 1.947 . . . . 1.0 113.44 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.17 -46.7 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.214 1.006 . . . . 1.0 112.544 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -58.45 -52.02 67.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.914 1.285 . . . . 1.0 113.134 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.84 -12.09 9.83 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.461 1.652 . . . . 1.0 115.461 171.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -97.74 -52.96 3.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.87 1.668 . . . . 1.0 111.782 171.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.1 mt -85.98 -30.07 23.03 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.359 1.985 . . . . 1.0 116.359 -172.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.62 6.85 42.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 126.649 1.98 . . . . 1.0 114.26 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 126.981 2.112 . . . . 1.0 113.574 173.818 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 114.059 1.133 . . . . 1.0 114.059 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 167.52 1.17 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 127.652 2.381 . . . . 1.0 115.453 170.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.94 -13.85 3.34 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 119.864 2.706 . . . . 1.0 119.864 168.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.19 34.89 9.26 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.679 1.74 . . . . 1.0 114.584 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 144.04 51.87 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 126.725 2.01 . . . . 1.0 115.197 -168.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 172.61 0.98 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 130.712 3.605 . . . . 1.0 112.195 -171.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.495 1.799 0 C-N-CA 128.466 2.706 . . . . 1.0 114.147 171.487 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.446 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 4.3 ttm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.025 -0.036 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.54 111.41 17.64 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 124.262 1.025 . . . . 1.0 113.039 -177.178 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.5 m -110.05 116.06 30.89 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 125.915 1.686 . . . . 1.0 112.446 -170.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 t -109.78 117.53 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 127.419 2.288 . . . . 1.0 110.979 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mp -106.97 123.43 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 127.132 2.173 . . . . 1.0 112.228 -173.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -101.09 101.8 12.63 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.478 1.911 . . . . 1.0 112.949 -174.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.75 69.47 1.4 Allowed Glycine 0 CA--C 1.534 1.224 0 N-CA-C 118.108 2.003 . . . . 1.0 118.108 170.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -61.13 -46.0 92.36 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.804 2.041 . . . . 1.0 113.352 171.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 t -65.56 108.72 2.12 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.817 2.847 . . . . 1.0 114.047 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.59 -4.32 23.08 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 126.681 2.086 . . . . 1.0 118.013 171.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 p -148.51 122.52 4.79 Favored Pre-proline 0 CA--C 1.563 1.46 0 CA-C-N 120.275 2.038 . . . . 1.0 114.466 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.34 -32.45 50.63 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 124.421 3.414 . . . . 1.0 114.796 -173.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -58.5 -38.92 78.69 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.244 1.417 . . . . 1.0 112.259 172.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -67.73 -43.81 79.07 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.952 1.701 . . . . 1.0 113.553 170.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -54.08 -53.97 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 CA-C-O 117.673 -1.156 . . . . 1.0 111.569 172.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -59.16 -44.44 92.12 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 119.272 0.942 . . . . 1.0 112.243 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.31 77.62 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 124.166 0.986 . . . . 1.0 113.496 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -61.4 2.53 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.925 1.29 . . . . 1.0 111.459 170.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.85 -39.15 58.4 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.986 2.114 . . . . 1.0 114.258 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -58.27 -45.43 87.88 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 126.283 1.833 . . . . 1.0 112.626 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.8 95.55 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.158 1.383 . . . . 1.0 112.926 170.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -59.98 -46.37 89.66 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.025 -1.047 . . . . 1.0 112.998 171.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -53.08 -52.91 57.08 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 126.509 1.924 . . . . 1.0 112.365 171.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.85 -41.96 92.59 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.285 1.434 . . . . 1.0 112.999 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -61.6 -37.63 84.61 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 172.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -41.59 97.41 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.373 1.469 . . . . 1.0 112.073 169.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -75.75 -34.36 60.27 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 128.514 2.725 . . . . 1.0 115.949 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -114.94 168.01 10.29 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 116.189 1.922 . . . . 1.0 116.189 -169.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -77.33 -52.0 9.9 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.447 2.299 . . . . 1.0 112.514 170.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -76.67 -18.09 58.76 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 128.565 2.746 . . . . 1.0 118.049 -172.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -95.14 112.62 24.3 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.703 1.371 . . . . 1.0 114.703 -168.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -126.23 133.66 51.43 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 127.834 2.454 . . . . 1.0 112.412 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.288 0.1 OUTLIER -114.58 140.25 48.94 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 117.189 2.292 . . . . 1.0 117.189 -170.286 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -126.67 134.29 50.75 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 127.306 2.242 . . . . 1.0 110.215 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -114.59 123.37 49.18 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.016 1.726 . . . . 1.0 112.544 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.84 115.72 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 128.921 2.889 . . . . 1.0 111.103 -177.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.71 94.28 1.01 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.035 1.865 . . . . 1.0 116.035 172.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.48 -43.07 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.405 -1.435 . . . . 1.0 112.159 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -68.85 -4.6 16.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.392 2.277 . . . . 1.0 115.12 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.64 -26.9 2.19 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 117.14 2.274 . . . . 1.0 117.14 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -10.72 59.81 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 120.68 1.582 . . . . 1.0 113.291 169.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.21 56.35 1.71 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 127.504 2.478 . . . . 1.0 113.854 177.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.6 mt -134.5 148.22 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 127.523 2.329 . . . . 1.0 111.924 -174.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -143.26 165.81 26.44 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.652 2.381 . . . . 1.0 112.403 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -27.66 8.52 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.673 1.989 . . . . 1.0 115.784 174.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -67.8 -42.0 82.27 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.654 1.981 . . . . 1.0 112.188 173.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -67.89 -52.5 35.72 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.943 1.697 . . . . 1.0 110.976 170.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.9 mt -54.92 -45.5 74.78 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.575 1.55 . . . . 1.0 114.496 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.427 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.2 pt20 -61.2 -19.65 61.86 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.885 1.439 . . . . 1.0 114.885 172.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -89.74 -54.95 3.83 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 127.488 2.315 . . . . 1.0 111.961 170.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -46.16 -45.98 16.99 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 127.514 2.326 . . . . 1.0 113.474 171.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.03 -14.02 60.56 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 116.738 2.125 . . . . 1.0 116.738 174.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.95 42.28 6.4 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.007 1.765 . . . . 1.0 112.584 -169.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.97 132.65 14.96 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.97 2.108 . . . . 1.0 111.015 -169.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.54 67.83 2.17 Favored 'Trans proline' 0 CA--C 1.551 1.355 0 C-N-CA 124.137 3.225 . . . . 1.0 114.298 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG22 ' HB3' ' A' ' 49' ' ' GLN . 2.1 m -90.66 165.32 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 C-N-CA 126.768 2.027 . . . . 1.0 112.702 175.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -135.99 -50.37 0.7 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 125.329 1.451 . . . . 1.0 111.278 168.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.7 p -105.54 -177.19 3.29 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 126.738 2.015 . . . . 1.0 115.234 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.36 155.03 39.23 Favored Pre-proline 0 N--CA 1.495 1.817 0 C-N-CA 127.477 2.311 . . . . 1.0 112.615 177.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.74 169.05 71.69 Favored 'Cis proline' 0 CA--C 1.543 0.939 0 N-CA-C 115.005 1.117 . . . . 1.0 115.005 8.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -144.02 96.63 2.92 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.904 2.081 . . . . 1.0 110.313 171.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.3 mt -117.26 153.43 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 C-N-CA 128.852 2.861 . . . . 1.0 113.831 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -128.3 107.05 9.45 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.987 2.115 . . . . 1.0 109.629 174.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.8 t -90.87 127.08 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 126.265 1.826 . . . . 1.0 109.496 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.45 0.0 OUTLIER 45.87 39.99 6.09 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.396 1.879 . . . . 1.0 114.498 -169.112 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 64.34 6.72 3.17 Favored 'General case' 0 CA--C 1.568 1.672 0 C-N-CA 129.071 2.948 . . . . 1.0 115.955 -173.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -92.23 138.04 31.86 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.651 2.78 . . . . 1.0 111.16 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -61.43 108.63 0.98 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.489 -1.382 . . . . 1.0 113.158 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.7 mm -127.98 96.37 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 127.842 2.457 . . . . 1.0 106.453 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -21.91 -55.13 0.02 OUTLIER Glycine 0 CA--C 1.545 1.925 0 C-N-CA 128.77 3.081 . . . . 1.0 119.046 -170.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -139.83 11.27 Favored Glycine 0 N--CA 1.476 1.323 0 C-N-CA 128.014 2.721 . . . . 1.0 112.958 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -31.5 -40.61 0.04 OUTLIER 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 128.602 2.761 . . . . 1.0 116.35 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -65.01 0.74 Allowed 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 126.936 2.095 . . . . 1.0 113.939 168.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -48.06 58.16 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 131.637 3.975 . . . . 1.0 113.11 -168.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -54.2 -48.44 71.0 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 130.63 3.572 . . . . 1.0 113.394 171.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.56 -52.94 61.45 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.176 1.79 . . . . 1.0 112.674 172.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.79 -43.28 65.77 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.85 1.26 . . . . 1.0 113.568 171.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -60.18 -53.62 55.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.374 2.27 . . . . 1.0 113.61 170.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.2 t -50.94 -47.87 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.597 1.159 . . . . 1.0 111.491 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -60.57 -39.12 86.85 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.717 2.007 . . . . 1.0 114.322 173.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.91 -12.38 24.82 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 126.546 1.938 . . . . 1.0 113.846 168.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -103.25 -60.64 1.52 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.729 2.012 . . . . 1.0 113.624 169.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.3 mt -72.23 -28.64 63.29 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.012 2.125 . . . . 1.0 115.76 -172.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -109.27 6.65 24.76 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.168 1.787 . . . . 1.0 115.17 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.432 0 N-CA-C 117.724 2.49 . . . . 1.0 117.724 -170.665 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 109.578 -0.527 . . . . 1.0 109.578 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.7 t -155.41 153.78 30.91 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.531 1.932 . . . . 1.0 114.816 172.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 135.84 -10.02 4.24 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 127.298 2.38 . . . . 1.0 117.385 169.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 49.65 36.36 10.49 Favored 'General case' 0 CA--C 1.561 1.401 0 CA-C-N 120.033 1.916 . . . . 1.0 115.534 169.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 137.1 50.26 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 126.331 1.852 . . . . 1.0 113.463 -169.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -179.55 173.21 1.08 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 130.528 3.531 . . . . 1.0 111.574 -172.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.492 1.646 0 C-N-CA 128.97 2.908 . . . . 1.0 114.232 172.853 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ttm . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 119.091 -0.48 . . . . 1.0 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -106.56 118.87 37.79 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.167 1.787 . . . . 1.0 113.11 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.0 m -112.17 110.23 20.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.42 -1.425 . . . . 1.0 111.242 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.03 119.1 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 126.69 1.996 . . . . 1.0 111.033 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.429 HG21 ' HB2' ' A' ' 18' ' ' LYS . 3.7 mp -116.04 132.62 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 126.265 1.826 . . . . 1.0 113.171 -170.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -109.95 97.7 7.16 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.613 1.965 . . . . 1.0 114.103 -172.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.03 87.95 1.14 Allowed Glycine 0 CA--C 1.548 2.141 0 N-CA-C 119.783 2.673 . . . . 1.0 119.783 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -68.41 -45.97 71.21 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 125.641 1.577 . . . . 1.0 112.091 168.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -61.61 98.02 0.08 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 128.784 2.834 . . . . 1.0 115.568 -169.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.02 -27.21 2.31 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 126.739 2.114 . . . . 1.0 117.521 170.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -149.65 135.57 10.18 Favored Pre-proline 0 CA--C 1.56 1.354 0 CA-C-N 119.752 1.776 . . . . 1.0 115.263 -170.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.2 -32.44 42.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 123.944 3.096 . . . . 1.0 115.703 -170.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -41.9 73.86 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.292 1.437 . . . . 1.0 111.839 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t -60.54 -42.97 97.61 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.527 1.531 . . . . 1.0 112.78 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.3 -54.19 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 124.15 0.98 . . . . 1.0 110.718 169.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 0.254 36.6 mtm-85 -59.23 -39.15 81.84 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.695 1.198 . . . . 1.0 113.177 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.74 70.48 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.339 1.455 . . . . 1.0 113.582 171.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HB2' HG21 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -65.4 -54.71 24.77 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.129 1.372 . . . . 1.0 113.039 170.465 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.14 -39.42 56.26 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.736 2.014 . . . . 1.0 113.404 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.38 -43.26 74.98 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.61 1.964 . . . . 1.0 114.112 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.51 99.74 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.065 1.346 . . . . 1.0 113.74 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.21 -41.87 99.21 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 126.114 1.765 . . . . 1.0 113.683 171.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -53.51 -50.47 65.35 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 129.452 3.101 . . . . 1.0 111.481 169.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.87 -44.18 93.85 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.683 1.993 . . . . 1.0 114.386 170.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t -66.04 -32.3 73.69 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 115.294 1.59 . . . . 1.0 115.294 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -68.4 -45.33 72.93 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 119.031 0.832 . . . . 1.0 110.869 168.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.73 -27.96 69.26 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 128.371 2.668 . . . . 1.0 114.065 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -138.98 148.32 43.34 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 126.796 2.039 . . . . 1.0 115.416 -170.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.78 -36.61 36.83 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.395 1.257 . . . . 1.0 114.395 175.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -58.06 -30.37 66.13 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 128.047 2.539 . . . . 1.0 114.901 170.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -95.28 97.35 9.8 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 122.792 1.282 . . . . 1.0 112.831 -168.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -96.44 124.3 40.39 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 130.162 3.385 . . . . 1.0 108.65 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.34 136.95 54.53 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.419 -1.426 . . . . 1.0 113.315 -172.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -129.64 131.17 46.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.566 1.946 . . . . 1.0 110.355 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -115.98 123.57 48.35 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.288 1.035 . . . . 1.0 112.279 174.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.59 116.71 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 128.835 2.854 . . . . 1.0 110.161 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.59 151.39 39.4 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.325 -1.484 . . . . 1.0 111.563 169.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.294 2.4 pp -118.65 -53.77 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 114.272 -1.331 . . . . 1.0 111.163 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -56.84 -40.86 76.84 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.954 1.252 . . . . 1.0 113.316 172.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.33 -31.45 33.46 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 115.685 1.735 . . . . 1.0 115.685 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.84 -14.82 43.84 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.022 1.729 . . . . 1.0 114.848 170.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.89 5.37 29.18 Favored Glycine 0 N--CA 1.489 2.229 0 C-N-CA 128.476 2.941 . . . . 1.0 117.931 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.7 mt -94.67 162.08 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 130.744 3.618 . . . . 1.0 110.985 -175.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.8 t -148.81 169.21 20.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.195 1.398 . . . . 1.0 114.583 -171.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -43.24 -47.82 6.53 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 127.107 2.163 . . . . 1.0 111.811 169.46 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -60.63 -26.39 66.99 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 127.395 2.278 . . . . 1.0 113.33 -177.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -83.13 -51.75 7.23 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.016 2.127 . . . . 1.0 111.042 169.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 mt -54.09 -44.21 71.0 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.785 2.034 . . . . 1.0 113.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -56.26 -31.98 64.09 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.894 1.677 . . . . 1.0 113.982 171.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.86 -45.54 16.68 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.23 1.812 . . . . 1.0 112.259 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.63 -30.05 71.21 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.142 1.377 . . . . 1.0 113.83 170.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.33 -21.41 27.28 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.744 2.018 . . . . 1.0 116.006 172.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.26 -23.52 0.09 OUTLIER Glycine 0 CA--C 1.551 2.343 0 C-N-CA 126.982 2.23 . . . . 1.0 115.967 -169.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -63.61 132.55 95.22 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 128.779 2.832 . . . . 1.0 111.44 173.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.68 66.46 6.6 Favored 'Trans proline' 0 CA--C 1.553 1.439 0 C-N-CA 123.211 2.607 . . . . 1.0 114.117 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 m -67.42 152.46 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 126.555 1.942 . . . . 1.0 112.502 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.489 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 26.7 tp10 -118.41 -33.33 4.37 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.435 1.894 . . . . 1.0 114.53 173.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.8 p -138.45 -178.23 5.2 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 127.315 2.246 . . . . 1.0 114.55 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG21 ' HB2' ' B' ' 148' ' ' CYS . 0.0 OUTLIER -81.27 158.53 69.28 Favored Pre-proline 0 N--CA 1.49 1.565 0 C-N-CA 127.094 2.158 . . . . 1.0 112.581 170.874 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.45 164.55 86.88 Favored 'Cis proline' 0 C--N 1.355 0.91 0 N-CA-C 115.296 1.229 . . . . 1.0 115.296 7.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -140.34 87.39 2.13 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.319 1.847 . . . . 1.0 110.906 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.3 mt -111.16 151.65 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 127.215 2.206 . . . . 1.0 113.114 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -129.32 94.7 3.85 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.444 2.298 . . . . 1.0 109.715 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.3 t -77.96 131.74 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 124.75 1.22 . . . . 1.0 109.431 172.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 4.5 m-20 43.62 29.75 0.3 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 129.479 3.112 . . . . 1.0 114.998 -169.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.261 45.2 mt-30 70.66 32.67 2.5 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 128.974 2.91 . . . . 1.0 114.851 -174.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.38 136.05 50.38 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 129.198 2.999 . . . . 1.0 109.743 171.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -60.03 112.69 1.98 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.096 -1.628 . . . . 1.0 114.085 -176.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.1 mm -125.73 104.85 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 128.282 2.633 . . . . 1.0 105.961 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -21.64 -62.51 0.02 OUTLIER Glycine 0 N--CA 1.48 1.594 0 C-N-CA 127.627 2.536 . . . . 1.0 116.601 -170.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.79 -149.75 20.31 Favored Glycine 0 C--O 1.221 -0.692 0 C-N-CA 127.794 2.616 . . . . 1.0 110.989 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -31.25 -55.42 0.24 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 126.47 1.908 . . . . 1.0 113.403 -169.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.2 t -46.01 -61.95 1.53 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 128.129 2.572 . . . . 1.0 116.382 170.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.77 -49.55 67.93 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 128.807 2.843 . . . . 1.0 112.525 173.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -49.06 63.44 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.985 3.314 . . . . 1.0 114.0 177.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.47 -53.06 62.37 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.826 1.651 . . . . 1.0 112.323 171.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.66 -43.72 72.63 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.731 1.212 . . . . 1.0 113.102 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -58.32 -51.96 67.62 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.408 1.883 . . . . 1.0 113.848 171.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.9 t -53.16 -52.39 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-N 119.535 1.061 . . . . 1.0 111.61 172.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -58.89 -51.7 68.89 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.496 2.319 . . . . 1.0 112.968 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -59.51 -12.2 5.95 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 127.326 2.25 . . . . 1.0 115.6 171.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -102.74 -58.74 1.82 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 127.313 2.245 . . . . 1.0 114.922 169.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.93 -27.42 43.7 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.278 2.231 . . . . 1.0 116.214 -175.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -100.92 4.56 42.72 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.009 1.724 . . . . 1.0 114.961 172.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 130.464 3.506 . . . . 1.0 117.151 -170.723 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 120.615 3.561 . . . . 1.0 120.615 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.2 t -135.93 175.38 9.65 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 116.946 2.202 . . . . 1.0 116.946 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 163.85 -9.84 0.08 OUTLIER Glycine 0 N--CA 1.482 1.758 0 N-CA-C 118.751 2.26 . . . . 1.0 118.751 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 57.42 17.96 4.14 Favored 'General case' 0 CA--C 1.565 1.544 0 N-CA-C 118.524 2.787 . . . . 1.0 118.524 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 148' ' ' CYS . . . . . 0.437 ' HB2' HG21 ' A' ' 59' ' ' VAL . 1.7 m -70.41 114.97 9.05 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 126.788 2.035 . . . . 1.0 111.425 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -179.49 175.82 0.87 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 126.911 2.085 . . . . 1.0 114.727 -174.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 2.3 tp . . . . . 0 N--CA 1.487 1.42 0 C-N-CA 129.376 3.07 . . . . 1.0 113.224 173.432 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.48 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 121.054 0.454 . . . . 1.0 111.063 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tm0? -119.25 121.43 39.63 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 129.061 2.945 . . . . 1.0 112.036 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 m -121.78 121.02 36.3 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 126.103 1.761 . . . . 1.0 111.638 -172.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.6 t -118.04 131.26 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 126.534 1.934 . . . . 1.0 111.781 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.41 122.03 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 125.833 1.653 . . . . 1.0 112.54 -171.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -105.86 105.88 16.13 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.618 1.967 . . . . 1.0 113.432 -172.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.81 70.08 1.35 Allowed Glycine 0 N--CA 1.483 1.808 0 C-N-CA 126.319 1.914 . . . . 1.0 116.623 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -79.89 -53.04 7.14 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 127.667 2.387 . . . . 1.0 114.126 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -63.71 24.37 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 130.592 3.557 . . . . 1.0 118.054 -171.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.71 -32.8 0.5 Allowed Glycine 0 CA--C 1.543 1.841 0 C-N-CA 126.504 2.002 . . . . 1.0 117.156 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.3 p -140.51 142.35 28.8 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 127.023 2.129 . . . . 1.0 115.621 -172.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -61.3 -41.89 38.78 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 124.41 3.407 . . . . 1.0 115.134 -172.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -68.39 -38.07 80.96 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 120.878 1.672 . . . . 1.0 113.25 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.499 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.7 t -58.06 -40.69 81.64 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 119.286 0.948 . . . . 1.0 111.559 171.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.06 -52.11 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-O 116.755 -1.593 . . . . 1.0 110.086 171.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -41.9 70.42 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.26 1.824 . . . . 1.0 112.295 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.02 83.7 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.109 2.564 . . . . 1.0 112.818 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -63.78 -52.11 61.79 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.25 1.42 . . . . 1.0 112.018 171.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -41.66 29.81 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 128.145 2.578 . . . . 1.0 113.172 172.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 72' ' ' TYR . 3.4 mp -59.62 -47.31 86.08 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.285 2.234 . . . . 1.0 113.999 171.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.96 96.2 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.906 0.883 . . . . 1.0 111.723 171.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.94 -43.52 91.21 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 126.967 2.107 . . . . 1.0 113.338 171.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -54.38 -55.11 31.92 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 131.59 3.956 . . . . 1.0 111.537 172.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.39 -48.46 81.65 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.677 1.991 . . . . 1.0 111.796 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t -53.71 -45.91 70.58 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 127.328 2.251 . . . . 1.0 114.8 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -43.26 86.22 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.463 1.905 . . . . 1.0 113.229 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.39 -51.25 64.19 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 126.803 2.041 . . . . 1.0 112.356 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.49 177.74 6.48 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 129.11 2.964 . . . . 1.0 114.273 -174.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.6 -22.14 8.23 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 127.949 2.5 . . . . 1.0 114.656 172.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -95.37 -19.81 19.63 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 118.049 2.611 . . . . 1.0 118.049 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -96.9 129.05 44.4 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 128.186 2.594 . . . . 1.0 110.894 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -116.36 130.94 57.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 128.383 2.673 . . . . 1.0 110.544 -173.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.1 136.13 54.67 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 127.515 2.326 . . . . 1.0 113.682 -176.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -130.03 133.5 46.78 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 127.584 2.353 . . . . 1.0 111.157 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -111.63 123.89 51.16 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.675 1.59 . . . . 1.0 112.769 173.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 t -122.73 115.0 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 126.926 2.09 . . . . 1.0 112.603 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.686 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.263 0.0 OUTLIER -71.86 102.47 2.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.817 1.414 . . . . 1.0 114.817 171.358 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.66 -39.48 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.236 -1.54 . . . . 1.0 111.735 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -65.19 -24.7 67.44 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.307 1.443 . . . . 1.0 113.478 172.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -101.9 -43.88 5.67 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.852 1.261 . . . . 1.0 114.074 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -63.56 -35.4 80.37 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.282 1.433 . . . . 1.0 112.928 172.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.52 35.64 0.98 Allowed Glycine 0 N--CA 1.491 2.306 0 C-N-CA 126.861 2.172 . . . . 1.0 117.233 172.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -124.75 160.3 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 130.389 3.475 . . . . 1.0 111.881 -171.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -140.01 168.14 20.49 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.874 2.07 . . . . 1.0 114.129 -171.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -32.84 62.77 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.762 1.023 . . . . 1.0 113.762 173.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -62.28 -36.83 83.29 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 127.348 2.259 . . . . 1.0 112.867 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.12 -51.1 16.67 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.939 2.096 . . . . 1.0 110.765 172.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.1 mt -59.07 -49.14 79.02 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.714 1.606 . . . . 1.0 113.439 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.629 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.6 pt20 -56.49 -38.17 71.39 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.573 1.549 . . . . 1.0 113.871 172.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -65.36 -62.07 1.75 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.57 2.348 . . . . 1.0 111.358 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -57.43 -38.62 74.69 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.646 1.579 . . . . 1.0 113.26 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.415 ' HB1' ' CG ' ' A' ' 68' ' ' HIS . . . -62.17 -22.76 66.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.069 1.748 . . . . 1.0 114.973 171.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.95 30.51 73.47 Favored Glycine 0 CA--C 1.546 2.007 0 CA-C-N 119.254 0.934 . . . . 1.0 114.262 -172.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -148.26 121.45 4.67 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 128.797 2.839 . . . . 1.0 110.221 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.42 68.97 5.16 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 124.226 3.284 . . . . 1.0 113.246 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.3 m -62.1 161.86 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 125.767 1.627 . . . . 1.0 113.288 175.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -123.44 -58.29 1.62 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.853 2.061 . . . . 1.0 112.735 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.2 p -123.59 174.31 7.51 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 127.799 2.44 . . . . 1.0 114.215 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.41 HG21 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -83.75 157.46 63.81 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 127.295 2.238 . . . . 1.0 113.907 -172.428 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.28 168.91 73.13 Favored 'Cis proline' 0 CA--C 1.554 1.516 0 N-CA-C 116.673 1.759 . . . . 1.0 116.673 8.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.568 ' NE2' HG21 ' A' ' 56' ' ' VAL . 6.1 mm100 -145.1 82.45 1.66 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.725 2.81 . . . . 1.0 111.764 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -110.48 152.06 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 128.005 2.522 . . . . 1.0 115.161 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -126.08 108.02 10.96 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.937 1.695 . . . . 1.0 109.57 175.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.9 t -97.62 130.45 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 126.053 1.741 . . . . 1.0 109.57 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.57 62.76 1.12 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.831 2.852 . . . . 1.0 111.562 -172.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 55.1 10.09 0.38 Allowed 'General case' 0 CA--C 1.557 1.243 1 C-N-CA 133.26 4.624 . . . . 1.0 118.178 -174.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.64 142.34 51.56 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.244 1.818 . . . . 1.0 113.253 -173.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.415 ' CG ' ' HB1' ' A' ' 52' ' ' ALA . 17.7 t-80 -60.58 134.35 56.99 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 115.991 1.848 . . . . 1.0 115.991 -174.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.6 mm -135.22 158.14 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 C-N-CA 131.104 3.762 . . . . 1.0 107.202 171.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.22 -70.86 0.85 Allowed Glycine 0 CA--C 1.537 1.458 0 O-C-N 119.618 -1.926 . . . . 1.0 111.106 172.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.5 -138.17 9.75 Favored Glycine 0 C--O 1.219 -0.831 0 C-N-CA 126.308 1.909 . . . . 1.0 110.552 -173.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.43 ' CD2' HD22 ' A' ' 20' ' ' LEU . 29.8 t80 -32.58 -53.6 0.33 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.077 1.939 . . . . 1.0 115.047 -172.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 t -62.27 -61.61 2.34 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.04 1.336 . . . . 1.0 114.363 173.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.78 -47.01 77.81 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.586 2.354 . . . . 1.0 113.429 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.62 -49.26 78.24 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 130.804 3.642 . . . . 1.0 113.703 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.96 97.64 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.1 1.318 . . . . 1.0 111.417 171.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.6 93.76 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.736 1.214 . . . . 1.0 113.1 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -62.6 -53.15 58.97 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.874 2.47 . . . . 1.0 112.927 171.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.0 t -53.1 -52.68 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 126.105 1.762 . . . . 1.0 111.421 172.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . 0.285 11.6 ptpt -63.79 -34.01 76.96 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.599 1.333 . . . . 1.0 114.599 176.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -60.79 -20.03 60.67 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 126.833 2.053 . . . . 1.0 112.587 171.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -98.82 -58.06 2.03 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 127.659 2.384 . . . . 1.0 113.24 172.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.11 -29.69 24.64 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 117.538 2.422 . . . . 1.0 117.538 -171.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -99.21 6.19 46.45 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 126.48 1.912 . . . . 1.0 113.346 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 C-N-CA 130.606 3.563 . . . . 1.0 114.687 -175.235 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 115.078 1.51 . . . . 1.0 115.078 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.2 p -123.06 153.16 40.24 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 116.156 1.909 . . . . 1.0 116.156 -174.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 168.45 -17.05 0.07 OUTLIER Glycine 0 N--CA 1.477 1.39 0 N-CA-C 117.953 1.941 . . . . 1.0 117.953 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.66 33.67 17.09 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 119.2 1.5 . . . . 1.0 114.485 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.54 121.01 18.96 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.574 1.55 . . . . 1.0 107.389 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 73.6 tttt 177.14 156.0 0.29 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 129.83 3.252 . . . . 1.0 111.38 -170.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.488 1.461 0 C-N-CA 130.391 3.476 . . . . 1.0 115.353 172.09 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 111.516 0.191 . . . . 1.0 111.516 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.53 120.61 38.03 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.195 1.398 . . . . 1.0 111.249 171.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.6 m -123.72 123.85 41.43 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 126.398 1.879 . . . . 1.0 112.121 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.1 t -115.61 130.83 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 127.576 2.351 . . . . 1.0 110.793 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.7 mt -123.06 125.67 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 127.151 2.18 . . . . 1.0 112.452 -168.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -111.81 100.23 8.76 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.617 1.567 . . . . 1.0 114.384 -170.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.87 74.08 1.11 Allowed Glycine 0 CA--C 1.546 1.973 0 C-N-CA 127.261 2.362 . . . . 1.0 118.868 170.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -67.74 -30.73 70.27 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.917 2.087 . . . . 1.0 114.635 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -61.39 128.06 34.49 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.496 2.036 . . . . 1.0 116.496 -169.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.03 -3.53 13.23 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 119.702 2.641 . . . . 1.0 119.702 169.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.17 122.66 26.83 Favored Pre-proline 0 CA--C 1.558 1.255 0 CA-C-N 121.47 2.635 . . . . 1.0 112.428 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -61.64 -30.49 85.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.155 3.237 . . . . 1.0 113.837 -172.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -52.25 -51.48 58.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 129.791 3.236 . . . . 1.0 112.958 171.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 t -70.68 -36.69 73.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.298 1.839 . . . . 1.0 113.981 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.16 -54.9 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 116.896 -1.526 . . . . 1.0 111.622 171.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -56.82 -43.2 80.8 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 120.371 1.441 . . . . 1.0 111.873 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.37 -50.73 70.72 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 114.733 1.382 . . . . 1.0 114.733 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -60.37 -50.34 73.99 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.195 1.398 . . . . 1.0 113.059 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.2 -37.97 81.85 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.984 2.113 . . . . 1.0 113.991 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.71 -43.34 97.96 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.862 1.665 . . . . 1.0 113.267 169.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.39 96.18 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.657 1.183 . . . . 1.0 112.866 171.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.64 -45.13 81.75 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.632 1.973 . . . . 1.0 114.102 171.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -51.79 -56.45 13.79 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 127.764 2.425 . . . . 1.0 111.063 170.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.83 -45.59 91.92 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.122 1.769 . . . . 1.0 113.578 175.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 t -61.66 -35.12 77.06 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 114.234 1.198 . . . . 1.0 114.234 174.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.12 -50.85 52.1 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.052 1.341 . . . . 1.0 112.449 169.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -72.04 -18.9 61.91 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.725 2.01 . . . . 1.0 114.891 -175.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -125.29 170.86 10.89 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.506 1.922 . . . . 1.0 115.385 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -88.71 -51.49 5.64 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 131.309 3.844 . . . . 1.0 114.223 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -24.26 58.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 129.78 3.232 . . . . 1.0 117.662 -169.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -95.94 102.58 14.39 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.837 1.655 . . . . 1.0 113.419 -167.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.57 133.75 40.66 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 127.889 2.475 . . . . 1.0 114.707 171.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -109.97 138.86 45.75 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 128.615 2.766 . . . . 1.0 114.175 -175.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -127.34 132.69 50.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.974 2.109 . . . . 1.0 109.028 172.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -121.56 123.34 41.74 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.272 1.429 . . . . 1.0 112.279 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 t -127.13 108.89 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 127.29 2.236 . . . . 1.0 110.815 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.542 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.251 0.0 OUTLIER -70.09 84.1 0.52 Allowed 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.339 -1.476 . . . . 1.0 114.638 172.052 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -54.31 -37.27 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 120.021 -1.674 . . . . 1.0 111.549 170.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -66.14 -12.18 54.08 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 128.32 2.648 . . . . 1.0 115.241 170.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.542 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -120.38 -45.09 2.45 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 120.379 1.445 . . . . 1.0 114.016 175.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -61.84 -18.77 61.25 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 129.516 3.127 . . . . 1.0 115.209 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.26 50.16 2.86 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 126.928 2.204 . . . . 1.0 115.554 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.7 mt -134.02 148.69 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 126.732 2.013 . . . . 1.0 109.758 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.9 t -132.73 165.84 23.6 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.877 1.806 . . . . 1.0 115.877 -169.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -48.0 -40.82 23.78 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 127.984 2.514 . . . . 1.0 113.31 171.012 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -65.39 -20.39 66.36 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 128.799 2.839 . . . . 1.0 114.092 176.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.38 -47.63 6.51 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.014 2.126 . . . . 1.0 111.3 170.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.3 mt -53.71 -51.35 63.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.24 2.216 . . . . 1.0 114.178 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.4 pt20 -52.27 -32.7 38.47 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 121.316 1.871 . . . . 1.0 114.555 172.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -75.35 -55.8 5.35 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.035 1.334 . . . . 1.0 111.102 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -37.49 63.87 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 126.846 2.058 . . . . 1.0 114.753 172.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.21 -9.72 58.96 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 129.156 2.982 . . . . 1.0 115.632 173.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.89 -53.66 2.54 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 125.574 1.559 . . . . 1.0 113.056 -170.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -69.27 130.96 90.61 Favored Pre-proline 0 N--CA 1.48 1.032 0 C-N-CA 129.514 3.125 . . . . 1.0 112.884 -173.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -65.97 84.54 0.25 Allowed 'Trans proline' 0 CA--C 1.552 1.384 0 C-N-CA 124.22 3.28 . . . . 1.0 111.275 170.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.494 HG22 ' HB3' ' A' ' 49' ' ' GLN . 18.5 m -78.26 149.82 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 125.902 1.681 . . . . 1.0 110.729 169.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.554 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 36.6 tp10 -120.23 -18.44 8.01 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.376 1.47 . . . . 1.0 114.738 174.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -146.37 178.68 8.07 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 128.499 2.72 . . . . 1.0 114.833 -168.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.78 162.46 50.02 Favored Pre-proline 0 N--CA 1.489 1.504 0 C-N-CA 127.006 2.122 . . . . 1.0 111.987 168.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.65 166.75 58.84 Favored 'Cis proline' 0 CA--C 1.554 1.483 0 N-CA-C 115.112 1.158 . . . . 1.0 115.112 -3.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -135.9 80.22 1.82 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.067 2.147 . . . . 1.0 111.51 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 46.0 mt -118.92 153.58 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 128.43 2.692 . . . . 1.0 112.916 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -126.62 111.62 14.53 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.264 2.226 . . . . 1.0 108.732 170.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.07 144.18 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.797 1.239 . . . . 1.0 109.325 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 4.4 p-10 47.97 22.73 0.41 Allowed 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 126.608 1.963 . . . . 1.0 116.247 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 75.71 4.0 3.9 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 131.237 3.815 . . . . 1.0 116.786 -172.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -95.98 159.43 14.97 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.294 2.238 . . . . 1.0 111.038 169.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -75.76 108.27 8.51 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.185 -1.572 . . . . 1.0 112.363 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.7 mm -119.98 102.14 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 128.105 2.562 . . . . 1.0 106.132 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -24.61 -58.91 0.05 OUTLIER Glycine 0 N--CA 1.477 1.41 0 C-N-CA 127.847 2.642 . . . . 1.0 116.438 -170.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.88 -138.43 10.08 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 128.026 2.727 . . . . 1.0 111.284 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -30.82 -52.44 0.17 Allowed 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 127.712 2.405 . . . . 1.0 115.505 -172.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 74' ' ' ASP . 6.3 t -66.28 -63.51 1.06 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 125.596 1.558 . . . . 1.0 115.062 173.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.41 ' H ' HG23 ' A' ' 73' ' ' THR . 0.6 OUTLIER -51.63 -52.65 46.12 Favored 'General case' 0 CA--C 1.563 1.465 0 C-N-CA 129.996 3.319 . . . . 1.0 111.528 177.683 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -60.98 -37.35 82.14 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 130.812 3.645 . . . . 1.0 114.699 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.58 -37.9 83.26 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 121.01 -1.056 . . . . 1.0 113.79 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.48 93.02 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.951 0.9 . . . . 1.0 112.505 170.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -55.63 -51.34 67.52 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.27 1.828 . . . . 1.0 113.596 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.7 t -55.57 -49.11 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 125.227 1.411 . . . . 1.0 113.025 172.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -54.89 -48.72 72.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 119.867 1.212 . . . . 1.0 112.2 170.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.54 -11.1 1.78 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 127.815 2.446 . . . . 1.0 115.966 170.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -101.69 -48.61 4.25 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 126.969 2.108 . . . . 1.0 113.269 169.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.4 mt -94.09 -57.03 2.65 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 128.162 2.585 . . . . 1.0 115.218 -170.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -72.95 -0.18 12.98 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.836 2.055 . . . . 1.0 114.804 171.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.441 0 C-N-CA 129.696 3.198 . . . . 1.0 114.849 174.33 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 116.65 2.092 . . . . 1.0 116.65 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.0 t -122.89 169.93 10.63 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.934 1.694 . . . . 1.0 114.417 -171.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 146.1 3.67 0.54 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 118.328 2.091 . . . . 1.0 118.328 172.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 47.75 16.19 0.07 Allowed 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 131.493 3.917 . . . . 1.0 118.194 170.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.33 141.5 38.4 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.443 2.297 . . . . 1.0 114.607 -170.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.79 -175.41 0.16 Allowed 'General case' 0 N--CA 1.495 1.794 1 C-N-CA 131.881 4.072 . . . . 1.0 112.482 176.483 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 N--CA 1.502 2.159 0 C-N-CA 126.752 2.021 . . . . 1.0 115.665 171.886 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttm . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 112.397 0.518 . . . . 1.0 112.397 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.12 120.58 38.17 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.468 2.307 . . . . 1.0 111.683 175.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.1 m -121.7 112.77 18.82 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.962 1.705 . . . . 1.0 112.522 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.68 117.44 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 126.07 1.748 . . . . 1.0 110.537 -175.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 mt -101.83 124.03 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 127.731 2.412 . . . . 1.0 112.877 -171.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.37 106.77 17.42 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 125.078 1.351 . . . . 1.0 113.018 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.98 81.22 0.25 Allowed Glycine 0 CA--C 1.539 1.538 0 C-N-CA 129.642 3.496 . . . . 1.0 118.821 172.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -69.39 -47.13 65.16 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 119.184 1.492 . . . . 1.0 114.419 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -65.34 123.68 20.22 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.899 1.679 . . . . 1.0 114.496 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.23 -10.93 26.64 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 127.777 2.608 . . . . 1.0 117.663 172.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.501 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 12.8 p -145.96 125.12 6.66 Favored Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 116.56 2.059 . . . . 1.0 116.56 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -48.65 -45.7 26.76 Favored 'Trans proline' 0 C--N 1.362 1.256 1 C-N-CA 125.768 4.312 . . . . 1.0 114.807 176.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -59.61 -38.42 81.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.35 1.06 . . . . 1.0 112.735 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.501 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 2.3 t -68.48 -43.31 77.2 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.833 1.253 . . . . 1.0 112.521 171.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.3 t -56.32 -52.36 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-O 117.5 -1.238 . . . . 1.0 111.418 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -64.64 -41.6 96.02 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.946 0.898 . . . . 1.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.36 -44.19 84.15 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 120.002 1.274 . . . . 1.0 113.942 172.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -61.82 2.11 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.344 1.858 . . . . 1.0 111.661 171.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -44.9 -44.46 9.67 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.527 2.331 . . . . 1.0 112.992 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.13 -49.0 79.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.863 2.065 . . . . 1.0 113.066 171.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.1 71.34 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.4 1.08 . . . . 1.0 111.954 171.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.59 -44.4 97.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.453 1.101 . . . . 1.0 112.338 171.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -45.48 71.55 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 129.031 2.932 . . . . 1.0 112.472 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.66 -50.01 66.55 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.338 2.655 . . . . 1.0 112.891 173.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 t -53.81 -42.12 68.06 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 126.881 2.072 . . . . 1.0 113.281 171.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -66.82 -48.24 69.53 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.837 1.255 . . . . 1.0 112.242 171.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -63.44 -45.55 90.38 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.912 2.085 . . . . 1.0 112.866 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -111.27 172.97 6.57 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 127.065 2.146 . . . . 1.0 114.788 -171.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -96.66 -41.16 8.65 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.362 1.865 . . . . 1.0 114.793 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -73.95 -13.24 60.85 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 128.288 2.635 . . . . 1.0 116.415 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -97.6 110.52 23.07 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.436 2.294 . . . . 1.0 114.044 -170.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -112.81 118.29 34.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.833 2.853 . . . . 1.0 110.172 177.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.56 136.8 47.56 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.95 2.5 . . . . 1.0 115.439 -171.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -129.79 138.64 51.16 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.364 2.266 . . . . 1.0 110.089 -176.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -107.75 123.65 48.86 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.582 1.953 . . . . 1.0 111.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.0 t -126.03 132.42 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 C-N-CA 127.575 2.35 . . . . 1.0 111.761 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.622 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -87.86 108.63 19.26 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.599 1.96 . . . . 1.0 115.563 177.757 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.473 HG21 HD11 ' A' ' 48' ' ' LEU . 2.1 pp -71.58 -33.56 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.091 -1.631 . . . . 1.0 110.631 171.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -74.95 -2.86 28.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 131.384 3.874 . . . . 1.0 114.421 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -125.58 -50.62 1.62 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.467 1.507 . . . . 1.0 112.958 171.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -63.46 -11.23 21.92 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 125.543 1.537 . . . . 1.0 115.012 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.5 64.91 1.54 Allowed Glycine 0 N--CA 1.476 1.343 0 C-N-CA 127.896 2.665 . . . . 1.0 112.55 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 44' ' ' THR . 8.7 mt -144.08 161.53 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 126.48 1.912 . . . . 1.0 112.077 -171.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.41 ' N ' HG22 ' A' ' 43' ' ' ILE . 9.6 t -147.77 162.98 38.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 129.614 3.166 . . . . 1.0 112.426 -175.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -26.85 56.47 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 115.622 1.712 . . . . 1.0 115.622 173.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -66.09 -42.87 88.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.003 0.921 . . . . 1.0 112.109 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.15 -52.88 60.66 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.747 2.019 . . . . 1.0 111.829 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD11 HG21 ' A' ' 38' ' ' ILE . 11.7 mt -60.25 -29.52 68.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 117.029 -1.462 . . . . 1.0 113.864 -172.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.888 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.1 pt20 -68.47 -35.02 76.96 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 121.602 2.001 . . . . 1.0 111.29 171.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -75.9 -66.55 0.77 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.977 2.511 . . . . 1.0 113.024 -172.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -54.15 -22.73 11.93 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.466 1.284 . . . . 1.0 114.466 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.72 -39.49 21.87 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 128.597 2.759 . . . . 1.0 116.646 172.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.36 13.58 81.46 Favored Glycine 0 CA--C 1.55 2.263 0 C-N-CA 125.252 1.406 . . . . 1.0 114.247 -171.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -106.27 117.88 56.19 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 128.547 2.739 . . . . 1.0 108.416 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -71.68 81.04 1.36 Allowed 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 124.47 3.446 . . . . 1.0 113.942 -171.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.888 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.1 m -84.71 159.92 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 125.049 1.339 . . . . 1.0 114.258 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -115.13 -47.95 2.84 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.811 2.044 . . . . 1.0 112.188 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 p -150.28 -177.22 5.81 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 131.521 3.928 . . . . 1.0 112.679 -171.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' B' ' 148' ' ' CYS . 0.0 OUTLIER -82.55 155.53 68.68 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 120.141 -1.599 . . . . 1.0 111.148 -178.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -70.76 168.94 69.73 Favored 'Cis proline' 0 CA--C 1.546 1.116 0 N-CA-C 117.228 1.972 . . . . 1.0 117.228 8.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.562 HE22 HG11 ' A' ' 56' ' ' VAL . 82.0 mm-40 -143.64 81.34 1.69 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 129.413 3.085 . . . . 1.0 110.059 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.0 mt -107.74 152.52 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 C-N-CA 128.422 2.689 . . . . 1.0 114.892 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -125.63 90.82 3.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.843 2.057 . . . . 1.0 111.273 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.6 t -81.98 147.1 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 126.094 1.758 . . . . 1.0 108.723 172.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.31 1.2 p-10 48.55 23.8 0.67 Allowed 'General case' 0 CA--C 1.566 1.588 0 O-C-N 120.063 -1.648 . . . . 1.0 115.399 -172.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 62.62 27.72 16.3 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 128.08 2.552 . . . . 1.0 114.191 -172.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.697 HE22 HD11 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -132.6 135.6 46.0 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 131.373 3.869 . . . . 1.0 109.513 -178.604 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.6 108.56 4.42 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 119.476 -2.015 . . . . 1.0 114.802 -171.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.697 HD11 HE22 ' A' ' 67' ' ' GLN . 22.7 mm -107.64 125.84 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 129.669 3.188 . . . . 1.0 107.433 171.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -31.92 -64.53 0.23 Allowed Glycine 0 CA--C 1.544 1.859 0 C-N-CA 125.155 1.359 . . . . 1.0 115.052 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.414 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 129.03 -140.74 11.94 Favored Glycine 0 C--O 1.217 -0.928 0 C-N-CA 128.378 2.894 . . . . 1.0 109.465 -172.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -32.7 -45.04 0.11 Allowed 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 127.371 2.268 . . . . 1.0 115.775 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -63.68 -62.42 1.67 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 126.925 2.09 . . . . 1.0 114.763 171.758 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.414 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -55.62 -55.11 35.87 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 129.117 2.967 . . . . 1.0 112.823 172.667 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -47.32 68.95 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 127.682 2.393 . . . . 1.0 114.749 172.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.12 77.55 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.972 1.26 . . . . 1.0 111.638 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.66 76.0 Favored 'General case' 0 CA--C 1.56 1.34 0 N-CA-C 113.987 1.106 . . . . 1.0 113.987 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -60.59 -53.65 54.97 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.695 1.998 . . . . 1.0 112.0 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.3 t -52.83 -44.31 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 126.243 1.817 . . . . 1.0 111.96 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' N ' ' HE2' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -57.76 -55.44 34.86 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.135 1.374 . . . . 1.0 110.861 172.453 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -52.9 -13.6 0.45 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.407 1.883 . . . . 1.0 115.666 171.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -99.88 -59.88 1.63 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 126.334 1.854 . . . . 1.0 112.621 171.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.8 mt -86.68 -41.84 13.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 128.142 2.577 . . . . 1.0 116.132 -172.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -93.22 3.45 55.65 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 128.943 2.897 . . . . 1.0 113.996 177.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 1 C-N-CA 132.566 4.346 . . . . 1.0 115.427 -174.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.311 -0.626 . . . . 1.0 109.311 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.15 149.71 12.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.754 1.622 . . . . 1.0 114.358 174.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 150.46 -16.01 0.98 Allowed Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.346 1.927 . . . . 1.0 117.901 171.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.1 27.99 6.4 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 120.261 2.031 . . . . 1.0 114.04 173.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 148' ' ' CYS . . . . . 0.445 ' HB2' HG21 ' A' ' 59' ' ' VAL . 1.6 t -72.85 130.64 40.9 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 129.175 2.99 . . . . 1.0 110.85 -171.042 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt 177.7 124.84 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 126.709 2.004 . . . . 1.0 115.421 -170.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.419 10.6 tp . . . . . 0 N--CA 1.492 1.625 0 C-N-CA 130.933 3.693 . . . . 1.0 117.125 171.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 tpp . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 111.538 0.199 . . . . 1.0 111.538 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -118.54 122.68 43.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.591 1.956 . . . . 1.0 113.85 172.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.5 m -113.8 116.12 28.86 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.985 0.914 . . . . 1.0 111.599 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.6 t -110.68 124.07 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 127.158 2.183 . . . . 1.0 109.076 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 mt -109.96 126.91 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 128.66 2.784 . . . . 1.0 114.502 -170.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -106.09 115.01 29.5 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.286 1.835 . . . . 1.0 113.084 176.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.65 72.46 0.96 Allowed Glycine 0 CA--C 1.536 1.397 0 N-CA-C 120.465 2.946 . . . . 1.0 120.465 171.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -76.64 32.14 0.13 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 127.977 2.511 . . . . 1.0 111.464 171.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.7 p -114.46 121.92 45.01 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 131.681 3.992 . . . . 1.0 117.184 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.43 -62.56 2.67 Favored Glycine 0 N--CA 1.48 1.601 0 C-N-CA 126.642 2.067 . . . . 1.0 115.996 171.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.583 ' SG ' HG21 ' A' ' 59' ' ' VAL . 11.1 p -69.45 117.38 52.13 Favored Pre-proline 0 CA--C 1.551 1.018 0 N-CA-C 115.532 1.678 . . . . 1.0 115.532 172.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -67.97 -30.79 32.1 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.647 2.898 . . . . 1.0 114.566 -172.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -66.69 -37.89 85.67 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 119.836 1.198 . . . . 1.0 111.14 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.521 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -56.62 -46.38 80.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.413 1.485 . . . . 1.0 112.668 171.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.0 -50.87 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 C-N-CA 124.153 0.981 . . . . 1.0 110.6 171.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -56.68 -41.54 77.48 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.26 0.936 . . . . 1.0 113.172 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.5 -47.39 76.27 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.989 1.715 . . . . 1.0 112.459 172.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -51.67 69.03 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.699 1.599 . . . . 1.0 111.019 171.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.47 -44.52 62.47 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.107 1.763 . . . . 1.0 114.221 173.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.36 -48.52 80.34 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.381 2.272 . . . . 1.0 113.375 172.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.5 95.57 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.885 0.874 . . . . 1.0 112.062 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.05 -43.77 87.04 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.1 1.36 . . . . 1.0 113.028 171.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -53.32 -46.66 69.53 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 129.53 3.132 . . . . 1.0 111.706 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.99 -51.27 59.92 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.372 2.669 . . . . 1.0 113.611 171.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.37 -37.25 80.14 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.927 1.691 . . . . 1.0 113.629 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -66.71 -44.49 81.49 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.537 2.735 . . . . 1.0 113.033 171.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.78 -46.49 75.13 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.361 2.264 . . . . 1.0 111.91 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -115.78 -178.42 3.39 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.696 2.109 . . . . 1.0 116.696 -171.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -106.52 -36.05 6.89 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 127.584 2.354 . . . . 1.0 114.97 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -32.45 73.83 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.286 1.434 . . . . 1.0 113.395 -171.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -97.99 119.72 37.12 Favored 'General case' 0 C--N 1.316 -0.863 1 C-N-CA 132.422 4.289 . . . . 1.0 110.967 -171.228 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -126.63 126.46 43.62 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.95 2.9 . . . . 1.0 110.244 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.0 136.94 47.69 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.249 1.82 . . . . 1.0 114.957 -172.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -129.75 135.01 47.95 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.532 1.933 . . . . 1.0 109.624 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -118.81 123.83 45.73 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.517 1.527 . . . . 1.0 113.693 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.7 t -122.74 115.51 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 128.42 2.688 . . . . 1.0 112.262 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.577 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.316 0.0 OUTLIER -73.1 101.44 3.29 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 116.665 2.098 . . . . 1.0 116.665 173.931 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -70.55 -33.43 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 O-C-N 120.03 -1.669 . . . . 1.0 112.099 172.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -80.68 2.27 26.59 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 126.684 1.994 . . . . 1.0 114.22 172.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -122.71 -46.8 2.11 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.38 -0.825 . . . . 1.0 112.599 171.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.74 -18.25 63.85 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 126.734 2.013 . . . . 1.0 115.183 171.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.53 56.38 2.14 Favored Glycine 0 N--CA 1.478 1.442 0 C-N-CA 127.023 2.249 . . . . 1.0 114.7 175.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.2 mt -132.21 157.62 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 127.654 2.382 . . . . 1.0 111.544 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 t -145.45 164.48 31.43 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.436 2.294 . . . . 1.0 113.959 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -31.08 25.62 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.65 1.58 . . . . 1.0 113.756 171.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -63.38 -39.66 95.13 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 125.544 1.538 . . . . 1.0 111.348 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -70.36 -56.99 5.33 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.67 1.988 . . . . 1.0 111.131 171.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 mt -57.37 -46.36 83.47 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.943 2.497 . . . . 1.0 112.745 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.589 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.8 pt20 -55.43 -35.42 65.41 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.074 1.35 . . . . 1.0 114.077 176.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -81.0 -31.18 34.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.181 1.792 . . . . 1.0 113.222 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -79.47 -25.05 41.99 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 127.11 2.164 . . . . 1.0 114.128 171.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.6 -23.68 19.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 129.493 3.117 . . . . 1.0 116.45 174.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.73 -25.6 1.15 Allowed Glycine 0 CA--C 1.547 2.037 0 C-N-CA 125.633 1.587 . . . . 1.0 114.655 -171.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -66.89 125.97 91.67 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 130.393 3.477 . . . . 1.0 110.446 171.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -71.09 79.54 1.35 Allowed 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 123.741 2.961 . . . . 1.0 110.68 173.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.589 HG22 ' HB3' ' A' ' 49' ' ' GLN . 5.6 m -84.63 141.53 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.562 1.145 . . . . 1.0 113.001 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -124.21 -28.66 3.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.333 2.653 . . . . 1.0 112.655 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.7 p -126.94 -179.56 4.9 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 129.953 3.301 . . . . 1.0 112.886 -172.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.583 HG21 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -101.54 164.98 14.86 Favored Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 128.435 2.694 . . . . 1.0 113.031 172.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.64 168.23 71.3 Favored 'Cis proline' 0 CA--C 1.551 1.365 0 N-CA-C 116.103 1.54 . . . . 1.0 116.103 -1.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.431 HE22 HG11 ' A' ' 56' ' ' VAL . 73.4 mm-40 -135.44 75.01 1.54 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.964 2.906 . . . . 1.0 112.126 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.9 mt -105.65 151.36 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 127.185 2.194 . . . . 1.0 114.421 172.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -129.14 110.39 11.97 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 129.893 3.277 . . . . 1.0 109.759 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.401 HG23 ' HB ' ' A' ' 69' ' ' ILE . 39.8 t -98.29 133.35 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.886 1.674 . . . . 1.0 110.331 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 42.91 31.6 0.34 Allowed 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 130.009 3.324 . . . . 1.0 114.079 -172.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 94.37 3.8 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.742 1 C-N-CA 134.348 5.059 . . . . 1.0 116.935 -178.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.35 145.03 50.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 119.542 -1.974 . . . . 1.0 113.26 -175.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -60.58 114.23 2.87 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.784 1.401 . . . . 1.0 114.784 -172.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.401 ' HB ' HG23 ' A' ' 64' ' ' VAL . 45.7 mm -131.27 97.48 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 128.718 2.807 . . . . 1.0 106.314 171.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -9.29 -62.77 0.01 OUTLIER Glycine 0 CA--C 1.535 1.343 0 C-N-CA 129.831 3.586 . . . . 1.0 118.648 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.415 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 130.2 -144.06 15.33 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 126.25 1.881 . . . . 1.0 111.103 -171.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -33.1 -55.77 0.4 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.901 2.08 . . . . 1.0 112.783 -172.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 t -54.16 -61.75 2.1 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 127.014 2.125 . . . . 1.0 115.032 173.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.415 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -59.86 -58.78 7.09 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 129.238 3.015 . . . . 1.0 111.264 178.137 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -39.16 49.28 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.767 2.827 . . . . 1.0 115.222 172.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.49 66.73 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.76 1.163 . . . . 1.0 110.648 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.22 -36.93 66.51 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.923 1.289 . . . . 1.0 113.721 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -64.94 -53.48 45.68 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.944 2.498 . . . . 1.0 113.439 171.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.8 t -54.86 -48.8 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 125.023 1.329 . . . . 1.0 110.763 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -53.44 -52.14 60.38 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.445 1.898 . . . . 1.0 112.549 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -53.07 -20.11 3.37 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 127.115 2.166 . . . . 1.0 115.417 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -100.02 -59.16 1.76 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.24 2.216 . . . . 1.0 114.185 173.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.28 -63.87 1.31 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 128.198 2.599 . . . . 1.0 113.598 -175.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.12 6.72 1.17 Allowed 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 127.469 2.308 . . . . 1.0 114.868 172.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.204 0 C-N-CA 130.919 3.688 . . . . 1.0 117.262 -171.441 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 122.205 1.002 . . . . 1.0 112.193 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 36.9 t -141.5 149.38 40.83 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.691 1.596 . . . . 1.0 113.834 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 159.99 -9.32 0.15 Allowed Glycine 0 CA--C 1.543 1.802 0 C-N-CA 128.798 3.094 . . . . 1.0 116.566 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 55.44 24.39 6.68 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 128.785 2.834 . . . . 1.0 116.218 171.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.65 142.1 48.3 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 118.182 2.66 . . . . 1.0 118.182 -171.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt 176.92 159.36 0.36 Allowed 'General case' 0 N--CA 1.489 1.491 1 C-N-CA 132.834 4.454 . . . . 1.0 110.289 -172.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.253 5.7 tp . . . . . 0 N--CA 1.495 1.794 0 C-N-CA 126.669 1.988 . . . . 1.0 113.858 175.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 112.213 0.449 . . . . 1.0 112.213 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 121.7 41.33 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.471 1.109 . . . . 1.0 111.016 171.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.0 m -121.3 121.52 37.88 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.927 1.691 . . . . 1.0 113.034 -171.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 t -114.37 128.44 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 126.946 2.099 . . . . 1.0 111.403 -172.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 34' ' ' GLN . 2.4 mp -116.23 119.74 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 127.003 2.121 . . . . 1.0 112.192 -171.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -99.92 95.93 7.22 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.721 2.008 . . . . 1.0 112.129 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.51 69.84 1.37 Allowed Glycine 0 CA--C 1.532 1.1 0 C-N-CA 128.468 2.937 . . . . 1.0 118.493 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -54.11 -43.3 70.31 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 125.338 1.455 . . . . 1.0 112.025 171.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -86.92 131.74 34.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.17 1.788 . . . . 1.0 114.104 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.1 -14.54 5.93 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 128.171 2.796 . . . . 1.0 117.251 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.3 p -162.4 139.73 6.29 Favored Pre-proline 0 CA--C 1.562 1.427 0 C-N-CA 128.064 2.546 . . . . 1.0 113.635 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -65.32 -30.38 53.97 Favored 'Trans proline' 0 CA--C 1.548 1.184 0 C-N-CA 123.958 3.106 . . . . 1.0 114.185 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -60.69 -39.0 86.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.84 1.656 . . . . 1.0 113.471 172.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.614 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.8 t -64.47 -39.57 94.06 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.159 1.17 . . . . 1.0 114.159 173.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.5 t -57.98 -51.81 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 117.114 -1.422 . . . . 1.0 109.002 171.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -56.42 -42.24 77.7 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.987 0.915 . . . . 1.0 113.456 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.99 95.14 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.831 1.252 . . . . 1.0 113.001 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -64.18 -56.57 13.79 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.667 1.587 . . . . 1.0 113.078 171.829 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.93 -37.38 14.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.99 2.516 . . . . 1.0 113.774 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.78 -52.85 63.72 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.717 1.607 . . . . 1.0 113.183 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.45 82.37 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.028 1.331 . . . . 1.0 112.335 172.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.93 -49.1 79.12 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.835 1.254 . . . . 1.0 112.639 171.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tmmt? -54.53 -46.93 73.65 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 126.49 1.916 . . . . 1.0 112.485 172.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.24 -44.06 92.37 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.683 1.993 . . . . 1.0 112.502 171.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -60.32 -44.07 95.8 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.962 1.705 . . . . 1.0 113.568 172.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.58 -46.96 85.91 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 126.116 1.766 . . . . 1.0 111.802 171.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.07 -54.48 33.42 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.065 2.146 . . . . 1.0 111.09 -176.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -100.79 162.73 12.71 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 128.445 2.698 . . . . 1.0 115.505 -172.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -41.06 12.89 Favored 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 126.386 1.874 . . . . 1.0 111.343 171.556 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -53.01 -27.67 20.45 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 130.3 3.44 . . . . 1.0 118.768 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -98.18 110.49 23.06 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 119.797 3.258 . . . . 1.0 119.797 -170.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -103.56 131.62 50.53 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.591 2.756 . . . . 1.0 110.804 171.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.09 136.43 54.15 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.071 2.148 . . . . 1.0 113.175 -175.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.455 ' O ' HD12 ' A' ' 5' ' ' ILE . 29.6 tt0 -129.91 134.33 47.42 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.851 1.66 . . . . 1.0 112.132 -176.155 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -107.23 123.45 48.32 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 128.028 2.531 . . . . 1.0 110.469 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.2 t -128.59 118.8 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 127.026 2.13 . . . . 1.0 110.37 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.565 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -87.76 92.01 8.96 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 119.995 -1.69 . . . . 1.0 114.651 -172.2 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.45 -38.97 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 119.622 -1.924 . . . . 1.0 112.708 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -74.97 -16.29 60.64 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.87 1.268 . . . . 1.0 113.361 174.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.565 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -95.88 -51.99 4.25 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 119.426 1.012 . . . . 1.0 112.792 172.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.8 -9.35 54.32 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 126.677 1.991 . . . . 1.0 116.106 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.26 37.08 6.35 Favored Glycine 0 N--CA 1.483 1.779 0 C-N-CA 126.247 1.88 . . . . 1.0 116.591 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.8 mt -117.34 149.22 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 128.699 2.8 . . . . 1.0 110.002 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -131.96 168.93 17.05 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.051 1.74 . . . . 1.0 115.215 -171.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -44.27 -44.99 8.39 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.461 2.704 . . . . 1.0 112.096 171.535 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -60.22 -36.16 77.08 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.793 1.637 . . . . 1.0 111.747 -178.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -74.93 -50.07 18.03 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.523 1.929 . . . . 1.0 112.015 172.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.21 -45.2 88.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.109 1.764 . . . . 1.0 113.558 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.677 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.1 pt20 -59.02 -31.37 68.77 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.624 1.342 . . . . 1.0 114.624 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -77.26 -47.23 20.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.309 1.844 . . . . 1.0 111.312 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -42.02 76.01 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.879 1.272 . . . . 1.0 112.28 171.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.12 -21.91 60.65 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.132 2.573 . . . . 1.0 116.331 174.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.01 26.28 58.02 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-N 119.291 0.951 . . . . 1.0 112.884 -171.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -139.59 120.35 9.49 Favored Pre-proline 0 N--CA 1.481 1.102 0 C-N-CA 130.883 3.673 . . . . 1.0 108.981 -171.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.49 75.39 1.99 Allowed 'Trans proline' 0 CA--C 1.55 1.284 0 C-N-CA 124.673 3.582 . . . . 1.0 113.814 -172.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.677 HG22 ' HB3' ' A' ' 49' ' ' GLN . 12.4 m -71.19 149.45 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 125.319 1.448 . . . . 1.0 113.257 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 15.4 tp10 -131.79 -21.16 2.48 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 126.689 1.995 . . . . 1.0 113.977 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.7 p -140.11 -179.36 5.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 130.71 3.604 . . . . 1.0 112.797 -173.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.59 154.71 38.42 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 127.759 2.424 . . . . 1.0 111.702 171.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.19 166.67 82.6 Favored 'Cis proline' 0 CA--C 1.544 0.994 0 N-CA-C 116.066 1.526 . . . . 1.0 116.066 7.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.443 HE22 HG11 ' A' ' 56' ' ' VAL . 79.4 mm-40 -134.82 76.32 1.62 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.176 2.19 . . . . 1.0 112.56 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.4 mt -111.75 151.21 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 128.819 2.848 . . . . 1.0 114.535 174.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -130.69 110.36 11.31 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.696 2.398 . . . . 1.0 109.056 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.5 t -93.87 138.83 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.768 1.627 . . . . 1.0 109.224 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.304 6.7 p-10 41.66 31.43 0.2 Allowed 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 127.491 2.316 . . . . 1.0 115.168 -171.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.255 60.7 mm-40 74.21 9.44 4.52 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 129.992 3.317 . . . . 1.0 117.07 -174.338 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -107.71 146.65 31.8 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 128.041 2.536 . . . . 1.0 112.136 172.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -64.96 115.89 5.84 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.857 -1.152 . . . . 1.0 113.327 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.6 mm -133.04 94.68 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 129.134 2.974 . . . . 1.0 104.555 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.57 -58.5 0.01 OUTLIER Glycine 0 N--CA 1.475 1.257 0 C-N-CA 128.99 3.186 . . . . 1.0 116.42 -172.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.77 -142.08 13.53 Favored Glycine 0 C--O 1.218 -0.864 0 C-N-CA 127.303 2.383 . . . . 1.0 111.517 -173.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -32.29 -51.08 0.25 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 127.164 2.186 . . . . 1.0 114.312 -175.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 74' ' ' ASP . 8.8 t -60.65 -61.47 2.56 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 121.164 1.802 . . . . 1.0 115.019 171.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.424 ' H ' HG23 ' A' ' 73' ' ' THR . 1.3 m-20 -62.2 -57.38 11.7 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 130.153 3.381 . . . . 1.0 110.67 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -37.62 62.99 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.147 2.579 . . . . 1.0 114.36 171.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.8 -41.43 91.91 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.252 1.387 . . . . 1.0 111.996 171.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.95 97.67 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.382 1.073 . . . . 1.0 111.273 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -57.28 -53.19 60.88 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.057 2.143 . . . . 1.0 111.175 171.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.3 t -51.55 -52.76 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.845 2.058 . . . . 1.0 111.983 172.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -53.01 59.08 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 120.535 1.516 . . . . 1.0 111.707 172.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.47 -13.37 3.52 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 127.863 2.465 . . . . 1.0 115.553 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -100.37 -59.33 1.73 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 128.171 2.588 . . . . 1.0 112.849 171.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.6 mt -72.74 -62.37 1.48 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.651 2.381 . . . . 1.0 112.981 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.08 0.56 9.23 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.114 2.566 . . . . 1.0 115.367 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.451 0 C-N-CA 129.949 3.299 . . . . 1.0 114.856 172.444 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 117.587 2.44 . . . . 1.0 117.587 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 26.7 t -123.45 160.13 27.53 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.089 1.756 . . . . 1.0 113.854 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 156.24 -6.38 0.23 Allowed Glycine 0 CA--C 1.542 1.729 0 N-CA-C 117.651 1.82 . . . . 1.0 117.651 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.37 18.02 1.22 Allowed 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 128.499 2.72 . . . . 1.0 116.346 172.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 53.7 t -73.87 123.86 25.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 130.848 3.659 . . . . 1.0 116.028 -171.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.81 -176.75 0.14 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 130.181 3.392 . . . . 1.0 113.637 175.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.499 2.024 0 C-N-CA 127.486 2.314 . . . . 1.0 115.104 174.622 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 tpp . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.535 0.683 . . . . 1.0 111.574 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.79 122.11 41.64 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.057 2.143 . . . . 1.0 111.297 176.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.3 m -117.74 114.09 22.81 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 126.41 1.884 . . . . 1.0 110.952 -172.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 t -110.92 129.38 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 127.141 2.176 . . . . 1.0 110.252 -173.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 mt -113.47 127.37 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 127.666 2.386 . . . . 1.0 110.814 -171.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -115.69 96.17 5.49 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.372 1.469 . . . . 1.0 112.145 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.68 28.6 5.91 Favored Glycine 0 N--CA 1.48 1.616 0 N-CA-C 121.53 3.372 . . . . 1.0 121.53 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -54.47 34.5 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 119.69 1.745 . . . . 1.0 112.354 177.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -71.24 59.84 0.27 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 125.927 1.691 . . . . 1.0 112.912 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.98 -61.34 0.02 OUTLIER Glycine 0 CA--C 1.539 1.549 0 C-N-CA 128.79 3.09 . . . . 1.0 113.938 -172.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.479 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.8 p -132.37 132.07 22.67 Favored Pre-proline 0 CA--C 1.562 1.414 0 C-N-CA 126.246 1.819 . . . . 1.0 115.746 -172.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -49.0 -40.71 40.86 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 125.293 3.995 . . . . 1.0 116.552 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.1 -39.16 88.92 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.677 1.126 . . . . 1.0 113.514 176.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.479 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.4 t -64.26 -40.06 95.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.287 1.435 . . . . 1.0 111.639 171.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.44 -51.97 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.589 1.156 . . . . 1.0 112.876 171.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -52.84 -41.33 64.15 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 120.189 1.359 . . . . 1.0 111.961 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -64.81 -44.15 90.83 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 125.298 1.439 . . . . 1.0 114.315 171.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmpt? -58.63 -54.42 47.32 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 127.134 2.174 . . . . 1.0 112.736 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.47 -44.61 65.68 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.625 2.77 . . . . 1.0 112.383 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.62 -50.23 74.33 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.039 1.335 . . . . 1.0 112.467 171.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.0 -43.46 77.69 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.646 1.178 . . . . 1.0 113.278 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.88 -47.83 84.18 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.833 1.653 . . . . 1.0 113.125 171.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -54.0 -46.7 71.81 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 127.369 2.268 . . . . 1.0 112.172 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -57.29 -55.03 40.07 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.295 2.238 . . . . 1.0 112.694 172.071 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 t -59.7 -31.73 69.85 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 114.593 1.331 . . . . 1.0 114.593 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.26 -47.27 71.23 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 126.854 2.062 . . . . 1.0 109.834 170.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -66.11 -32.65 74.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.058 2.543 . . . . 1.0 113.743 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.429 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -139.78 163.86 31.5 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 116.671 2.1 . . . . 1.0 116.671 176.479 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -98.11 -13.46 20.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.459 2.303 . . . . 1.0 113.603 171.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -42.65 61.43 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.115 2.166 . . . . 1.0 111.743 171.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CD2' HD12 ' A' ' 24' ' ' LEU . 20.7 t80 -98.35 142.22 30.26 Favored 'General case' 0 CA--C 1.552 1.056 1 C-N-CA 132.193 4.197 . . . . 1.0 114.301 -172.152 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -133.04 131.1 40.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.891 2.476 . . . . 1.0 111.558 172.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 135.91 49.3 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.544 1.538 . . . . 1.0 113.031 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.17 140.45 50.76 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.212 1.805 . . . . 1.0 111.204 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -123.76 123.43 40.48 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.162 1.785 . . . . 1.0 113.525 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.03 119.1 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 129.704 3.202 . . . . 1.0 111.074 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.667 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -73.66 107.23 5.79 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.162 1.912 . . . . 1.0 116.162 173.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 48' ' ' LEU . 2.3 pp -77.9 -35.44 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 120.687 -1.258 . . . . 1.0 112.044 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -65.27 -37.41 87.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.152 1.381 . . . . 1.0 111.4 171.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -85.16 -47.94 9.64 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.27 0.841 . . . . 1.0 113.27 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.29 -8.6 26.03 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.641 1.719 . . . . 1.0 115.641 172.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.3 58.01 3.03 Favored Glycine 0 N--CA 1.484 1.891 0 C-N-CA 127.343 2.401 . . . . 1.0 115.004 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.1 mt -136.02 156.23 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 129.585 3.154 . . . . 1.0 111.994 -171.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 t -131.35 170.07 15.14 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.631 2.772 . . . . 1.0 112.79 -177.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -59.63 -30.0 68.41 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.308 -1.495 . . . . 1.0 114.015 172.433 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -57.13 -51.67 68.36 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.994 1.27 . . . . 1.0 111.508 171.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -57.14 -48.99 77.3 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.258 2.223 . . . . 1.0 112.099 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 38' ' ' ILE . 19.1 mt -66.56 -16.55 64.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.831 1.652 . . . . 1.0 114.868 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.443 ' CB ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -85.18 -47.71 9.85 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.253 1.421 . . . . 1.0 108.254 171.034 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -57.34 -66.12 0.51 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 128.756 2.822 . . . . 1.0 113.554 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -53.04 -15.21 0.75 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 126.747 2.019 . . . . 1.0 115.708 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.67 -21.27 11.33 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.826 2.85 . . . . 1.0 117.144 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.94 2.31 12.28 Favored Glycine 0 CA--C 1.55 2.264 0 C-N-CA 124.997 1.284 . . . . 1.0 115.116 -171.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -85.29 125.87 68.75 Favored Pre-proline 0 N--CA 1.488 1.428 0 C-N-CA 130.419 3.488 . . . . 1.0 110.707 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -78.5 64.92 8.62 Favored 'Trans proline' 0 CA--C 1.552 1.399 0 C-N-CA 123.822 3.015 . . . . 1.0 112.63 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.443 HG22 ' CB ' ' A' ' 49' ' ' GLN . 3.2 m -73.55 150.65 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 124.862 1.265 . . . . 1.0 113.888 -179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -130.05 -37.13 1.5 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 127.265 2.226 . . . . 1.0 112.964 172.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . 0.303 19.5 p -130.69 -178.29 4.73 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 127.089 2.156 . . . . 1.0 115.008 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.83 161.7 37.87 Favored Pre-proline 0 N--CA 1.493 1.706 0 C-N-CA 126.924 2.09 . . . . 1.0 112.573 175.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.04 168.22 60.11 Favored 'Cis proline' 0 CA--C 1.553 1.438 0 N-CA-C 115.654 1.367 . . . . 1.0 115.654 0.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.437 HE22 HG11 ' A' ' 56' ' ' VAL . 83.4 mm-40 -137.87 72.05 1.41 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.598 2.359 . . . . 1.0 111.844 -173.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.498 HD12 ' HB1' ' A' ' 17' ' ' ALA . 8.9 mt -113.95 151.62 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 127.386 2.274 . . . . 1.0 114.573 176.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -119.83 118.26 30.32 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.152 2.181 . . . . 1.0 107.928 175.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.6 t -104.56 126.91 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 124.909 1.284 . . . . 1.0 109.055 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 44.54 53.42 7.08 Favored 'General case' 0 CA--C 1.572 1.816 0 C-N-CA 127.762 2.425 . . . . 1.0 110.916 -171.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.15 10.55 0.63 Allowed 'General case' 0 CA--C 1.566 1.585 1 C-N-CA 132.269 4.228 . . . . 1.0 116.205 -171.847 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -104.87 114.83 29.27 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 128.247 2.619 . . . . 1.0 110.552 -175.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.96 107.82 1.99 Allowed 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.673 -1.267 . . . . 1.0 112.149 -174.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.5 mm -97.01 173.85 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.008 1 C-N-CA 132.773 4.429 . . . . 1.0 108.877 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.63 -71.75 1.01 Allowed Glycine 0 CA--C 1.536 1.4 0 O-C-N 118.859 -2.401 . . . . 1.0 109.629 171.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.08 -131.99 5.66 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 127.007 2.241 . . . . 1.0 109.314 -171.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -32.3 -53.44 0.3 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.86 2.464 . . . . 1.0 114.887 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -60.9 -55.67 30.29 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 115.017 1.488 . . . . 1.0 115.017 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -69.75 -51.4 34.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 129.07 2.948 . . . . 1.0 112.585 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -51.05 -45.32 61.31 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 130.38 3.472 . . . . 1.0 112.978 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.95 -50.79 72.18 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.478 1.511 . . . . 1.0 112.529 171.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.41 96.7 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 125.488 1.515 . . . . 1.0 113.778 172.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -56.71 -53.27 59.65 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 128.073 2.549 . . . . 1.0 112.049 171.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.0 t -52.04 -50.12 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 125.664 1.586 . . . . 1.0 111.118 171.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -56.94 -48.06 79.2 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.619 1.168 . . . . 1.0 113.48 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -12.93 7.14 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 127.009 2.123 . . . . 1.0 116.156 171.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -99.73 -57.88 2.04 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 127.733 2.413 . . . . 1.0 112.305 171.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.8 mt -81.76 -55.8 4.4 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 127.816 2.447 . . . . 1.0 114.925 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -71.48 1.86 5.85 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.385 1.474 . . . . 1.0 114.977 172.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 C-N-CA 130.377 3.471 . . . . 1.0 117.077 -172.048 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 106.663 -1.606 . . . . 1.0 106.663 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 11.5 p -159.58 146.9 16.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.317 2.247 . . . . 1.0 114.085 -173.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 149.86 -7.76 0.8 Allowed Glycine 0 N--CA 1.477 1.402 0 N-CA-C 119.335 2.494 . . . . 1.0 119.335 171.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.24 21.15 2.94 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 116.629 2.085 . . . . 1.0 116.629 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.03 129.89 38.75 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 128.346 2.658 . . . . 1.0 114.216 -172.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt 176.56 119.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 130.457 3.503 . . . . 1.0 110.248 -172.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.33 7.9 tp . . . . . 0 N--CA 1.497 1.901 0 C-N-CA 127.328 2.251 . . . . 1.0 114.053 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.529 0.204 . . . . 1.0 111.288 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -118.6 115.68 25.06 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.334 2.254 . . . . 1.0 112.368 172.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 94.6 m -110.53 116.86 32.12 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.387 1.875 . . . . 1.0 109.889 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.95 121.27 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 128.068 2.547 . . . . 1.0 109.329 -172.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 34' ' ' GLN . 3.3 mp -109.01 136.22 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.852 1.661 . . . . 1.0 111.718 -172.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -116.07 111.53 20.43 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.825 1.25 . . . . 1.0 112.372 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.5 24.19 26.77 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 121.83 3.492 . . . . 1.0 121.83 172.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -52.1 -51.65 56.4 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.929 2.092 . . . . 1.0 114.162 -172.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.8 m -63.81 -0.19 0.99 Allowed 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 116.159 1.911 . . . . 1.0 116.159 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.24 -13.31 39.46 Favored Glycine 0 CA--C 1.544 1.859 0 N-CA-C 117.831 1.892 . . . . 1.0 117.831 174.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 12.3 p -167.4 139.48 2.65 Favored Pre-proline 0 CA--C 1.563 1.446 0 N-CA-C 116.994 2.22 . . . . 1.0 116.994 -172.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.11 -33.22 32.2 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 125.15 3.9 . . . . 1.0 115.672 -172.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -66.13 -38.92 89.34 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 120.34 1.427 . . . . 1.0 111.42 172.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.478 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 4.6 t -59.09 -40.23 84.65 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.806 1.242 . . . . 1.0 111.678 171.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.77 -52.4 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 116.133 -1.889 . . . . 1.0 111.085 171.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -59.59 -42.09 91.76 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 120.537 1.517 . . . . 1.0 112.517 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.81 88.08 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.219 1.408 . . . . 1.0 113.806 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -63.66 -54.41 36.09 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.284 1.433 . . . . 1.0 112.04 172.04 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.07 -38.15 36.95 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.319 2.647 . . . . 1.0 113.079 175.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.58 -51.82 68.18 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 126.411 1.885 . . . . 1.0 112.221 171.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.57 97.84 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.549 1.14 . . . . 1.0 113.606 172.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.82 -45.47 89.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.683 1.593 . . . . 1.0 112.894 172.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -55.12 -50.09 70.1 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 128.32 2.648 . . . . 1.0 112.293 171.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.74 -53.21 60.65 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.953 2.101 . . . . 1.0 112.47 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 t -58.81 -34.99 72.15 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.983 1.713 . . . . 1.0 114.28 173.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -43.91 81.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.207 2.203 . . . . 1.0 112.784 171.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -66.92 -50.68 61.63 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.927 2.091 . . . . 1.0 111.924 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.335 18.1 mtm105 -91.93 -165.65 1.39 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 116.073 1.879 . . . . 1.0 116.073 -171.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -128.56 -5.07 5.29 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.943 2.497 . . . . 1.0 117.36 -171.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -134.0 -15.4 2.31 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 119.093 2.997 . . . . 1.0 119.093 -170.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -97.42 115.09 27.09 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.4 3.08 . . . . 1.0 110.875 -170.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -98.72 132.53 44.03 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 131.088 3.755 . . . . 1.0 113.165 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.06 135.65 54.5 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 127.722 2.409 . . . . 1.0 113.989 -175.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.469 ' O ' HD12 ' A' ' 5' ' ' ILE . 6.1 tt0 -133.2 149.3 52.03 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 127.663 2.385 . . . . 1.0 113.254 175.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -126.22 123.54 38.41 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.864 1.666 . . . . 1.0 112.868 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -112.87 120.52 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 130.342 3.457 . . . . 1.0 111.343 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.52 86.94 7.35 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 119.594 -1.941 . . . . 1.0 112.497 -173.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -72.15 -39.94 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 119.515 -1.991 . . . . 1.0 110.687 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -7.86 53.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 128.076 2.55 . . . . 1.0 113.638 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.39 -41.31 2.85 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.826 1.417 . . . . 1.0 114.826 172.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -66.23 -24.04 66.53 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.783 1.633 . . . . 1.0 114.734 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.58 29.71 2.61 Favored Glycine 0 N--CA 1.484 1.849 0 N-CA-C 117.721 1.848 . . . . 1.0 117.721 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.4 mt -118.39 159.95 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 128.877 2.871 . . . . 1.0 112.359 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 t -133.95 165.26 25.43 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 127.261 2.224 . . . . 1.0 115.022 -171.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HE2' ' OE2' ' A' ' 46' ' ' GLU 0.263 0.1 OUTLIER -58.85 -25.49 63.31 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.981 1.312 . . . . 1.0 114.43 172.05 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' OE2' ' HE2' ' A' ' 45' ' ' LYS . 8.6 mp0 -61.64 -49.64 75.74 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.644 1.577 . . . . 1.0 110.656 171.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.3 -39.44 86.95 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 127.308 2.243 . . . . 1.0 113.891 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -73.77 -49.55 24.9 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 128.057 2.543 . . . . 1.0 113.195 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.906 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.9 pt20 -50.55 -32.63 19.02 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 121.352 1.887 . . . . 1.0 113.776 175.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -71.73 -67.17 0.55 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.014 2.126 . . . . 1.0 113.455 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -60.52 -13.66 15.19 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 126.5 1.92 . . . . 1.0 115.666 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.79 -22.7 16.79 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 129.377 3.071 . . . . 1.0 116.544 171.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.11 -31.49 0.94 Allowed Glycine 0 CA--C 1.548 2.12 0 C-N-CA 125.937 1.732 . . . . 1.0 113.554 -171.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -53.77 120.57 23.82 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 131.567 3.947 . . . . 1.0 111.871 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -76.34 68.72 6.75 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.772 2.981 . . . . 1.0 112.301 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.906 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.3 m -79.92 156.71 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 124.992 1.317 . . . . 1.0 113.788 -175.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -138.52 -40.76 0.5 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 127.234 2.213 . . . . 1.0 112.052 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 47.6 p -109.99 -179.06 3.69 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.926 2.49 . . . . 1.0 113.528 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.42 158.31 38.93 Favored Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 125.679 1.592 . . . . 1.0 110.032 171.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.18 169.71 73.05 Favored 'Cis proline' 0 CA--C 1.545 1.032 0 N-CA-C 115.124 1.163 . . . . 1.0 115.124 4.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.564 HE22 HG11 ' A' ' 56' ' ' VAL . 97.0 mm-40 -135.44 67.98 1.47 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 128.306 2.642 . . . . 1.0 110.714 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.5 mt -99.51 151.43 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 126.554 1.941 . . . . 1.0 113.95 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -123.32 117.76 25.99 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.821 2.448 . . . . 1.0 109.234 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.5 t -107.22 128.11 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 125.164 1.386 . . . . 1.0 108.818 175.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 47.19 45.75 16.35 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 127.619 2.368 . . . . 1.0 112.048 -171.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.267 2.0 tm0? 70.64 9.06 6.79 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 130.764 3.626 . . . . 1.0 117.377 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.82 151.65 40.38 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.475 1.91 . . . . 1.0 112.133 172.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -73.84 107.76 6.26 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.319 1.97 . . . . 1.0 116.319 -171.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.6 mm -108.9 102.03 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 128.762 2.825 . . . . 1.0 103.996 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -18.62 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.481 1.678 0 C-N-CA 127.453 2.454 . . . . 1.0 116.09 -171.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.55 -137.72 8.72 Favored Glycine 0 C--O 1.219 -0.81 0 C-N-CA 127.574 2.512 . . . . 1.0 107.856 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -33.62 -54.84 0.45 Allowed 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 127.505 2.322 . . . . 1.0 111.225 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.583 HG21 ' HB3' ' B' ' 144' ' ' GLU . 1.6 t -50.28 -61.29 2.26 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 128.72 2.808 . . . . 1.0 116.719 171.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.14 -44.61 68.54 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.083 2.553 . . . . 1.0 113.384 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.33 -52.73 64.18 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 130.705 3.602 . . . . 1.0 113.273 173.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.62 -46.89 80.67 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.573 1.549 . . . . 1.0 112.681 172.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.89 98.03 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.235 1.014 . . . . 1.0 113.182 172.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -59.95 -53.59 56.03 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.96 1.704 . . . . 1.0 112.221 172.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -51.89 -50.97 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 127.413 2.285 . . . . 1.0 111.445 172.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -56.68 -56.74 17.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.269 1.428 . . . . 1.0 112.627 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -13.25 3.4 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 127.016 2.126 . . . . 1.0 115.022 173.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -100.0 -60.01 1.61 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.479 1.912 . . . . 1.0 114.526 171.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.12 -60.02 2.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.837 2.855 . . . . 1.0 113.179 -173.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -72.73 -14.89 61.65 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 115.256 1.576 . . . . 1.0 115.256 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.322 0 C-N-CA 131.524 3.929 . . . . 1.0 115.468 176.587 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 144' ' ' GLU . . . . . 0.583 ' HB3' HG21 ' A' ' 73' ' ' THR 0.264 4.2 pt-20 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 123.0 1.381 . . . . 1.0 113.14 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.11 143.89 42.77 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.78 1.632 . . . . 1.0 115.358 174.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 158.83 -14.3 0.23 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 127.306 2.384 . . . . 1.0 116.919 171.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 52.91 19.65 1.39 Allowed 'General case' 0 CA--C 1.57 1.726 0 C-N-CA 127.573 2.349 . . . . 1.0 114.681 177.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 11.3 t -73.71 135.25 43.64 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 131.522 3.929 . . . . 1.0 115.647 -171.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt 177.31 163.43 0.53 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 131.106 3.762 . . . . 1.0 110.778 -171.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.491 1.609 0 C-N-CA 124.296 1.039 . . . . 1.0 113.019 171.63 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 121.964 0.887 . . . . 1.0 111.583 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.07 121.53 40.04 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.907 2.083 . . . . 1.0 111.311 174.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 m -117.98 113.5 21.77 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 125.972 1.709 . . . . 1.0 111.351 -172.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 t -110.53 135.88 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 126.764 2.025 . . . . 1.0 112.094 -171.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mt -118.03 123.26 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 128.063 2.545 . . . . 1.0 111.117 -171.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.4 ' HB3' HG21 ' A' ' 38' ' ' ILE . 95.8 m-85 -112.32 103.44 11.57 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.782 2.033 . . . . 1.0 111.739 -173.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.67 72.99 1.13 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.352 1.929 . . . . 1.0 117.244 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -83.62 -46.29 12.52 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.93 1.292 . . . . 1.0 112.583 171.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -63.86 87.37 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 130.375 3.47 . . . . 1.0 112.324 -171.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.41 -13.25 6.26 Favored Glycine 0 CA--C 1.543 1.82 0 C-N-CA 126.543 2.02 . . . . 1.0 117.478 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 11.6 p -135.2 119.76 13.52 Favored Pre-proline 0 CA--C 1.554 1.132 0 CA-C-N 120.396 2.098 . . . . 1.0 116.013 172.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -68.6 -26.05 34.01 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 123.961 3.107 . . . . 1.0 114.593 -171.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -68.53 -38.72 81.1 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.701 0.8 . . . . 1.0 112.84 172.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.452 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 3.3 t -60.22 -41.29 92.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.72 1.208 . . . . 1.0 110.547 171.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.8 -50.7 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-O 116.168 -1.872 . . . . 1.0 111.019 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -49.24 -42.28 40.18 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 121.78 2.082 . . . . 1.0 112.116 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.494 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -65.7 -45.2 83.65 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 126.221 1.808 . . . . 1.0 114.503 174.138 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -55.51 33.71 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 127.46 2.304 . . . . 1.0 111.798 171.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -52.34 -44.35 65.12 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.533 2.733 . . . . 1.0 112.31 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.26 -50.17 72.79 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.957 1.703 . . . . 1.0 113.709 172.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.76 -45.03 74.16 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.036 0.934 . . . . 1.0 111.871 172.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.71 -44.2 96.87 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.477 1.911 . . . . 1.0 112.47 171.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -53.54 -50.86 64.6 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 128.195 2.598 . . . . 1.0 110.85 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.65 -47.14 87.57 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.85 2.06 . . . . 1.0 113.977 171.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.1 -48.56 70.59 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.58 1.552 . . . . 1.0 113.568 175.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -66.63 -45.3 79.5 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 129.614 3.166 . . . . 1.0 113.63 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -64.82 -35.02 79.77 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.889 1.675 . . . . 1.0 113.044 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.299 10.1 mtm105 -108.59 -177.73 3.4 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.871 2.069 . . . . 1.0 113.407 -178.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -113.3 -28.88 7.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 129.057 2.943 . . . . 1.0 116.365 -170.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.63 -15.15 15.37 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 116.851 2.167 . . . . 1.0 116.851 -171.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.38 123.97 41.39 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 129.752 3.221 . . . . 1.0 110.503 -171.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -123.57 131.65 53.68 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.744 2.018 . . . . 1.0 111.827 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -108.71 136.26 48.58 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 127.05 2.14 . . . . 1.0 113.881 -172.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.68 133.74 47.25 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.42 1.488 . . . . 1.0 111.415 -173.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -115.66 123.9 49.53 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.694 1.997 . . . . 1.0 114.931 -176.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -126.47 115.71 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 129.274 3.03 . . . . 1.0 112.934 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.61 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.431 0.0 OUTLIER -78.06 88.87 4.18 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 115.787 1.773 . . . . 1.0 115.787 171.253 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.4 HG21 ' HB3' ' A' ' 6' ' ' PHE . 2.3 pp -60.25 -38.05 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.522 1.529 . . . . 1.0 110.234 171.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -9.64 57.31 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 129.506 3.122 . . . . 1.0 114.413 174.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -122.31 -45.14 2.23 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 114.1 1.148 . . . . 1.0 114.1 175.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -63.22 -31.65 72.85 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 127.979 2.511 . . . . 1.0 114.056 172.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.98 63.12 0.68 Allowed Glycine 0 N--CA 1.484 1.891 0 C-N-CA 126.4 1.952 . . . . 1.0 114.168 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.2 mp -143.72 159.15 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 129.492 3.117 . . . . 1.0 108.709 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -150.29 169.94 20.18 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.668 1.187 . . . . 1.0 114.148 -171.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -33.41 22.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.898 2.479 . . . . 1.0 114.288 171.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -59.94 -32.64 70.98 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.974 1.709 . . . . 1.0 111.868 171.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.61 -57.39 3.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.804 2.042 . . . . 1.0 111.346 172.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.2 mt -54.93 -38.45 67.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.441 1.896 . . . . 1.0 112.995 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.617 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.5 pt20 -64.3 -45.94 85.79 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.5 1.52 . . . . 1.0 112.704 171.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -61.56 -40.45 94.76 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.911 1.684 . . . . 1.0 111.891 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -64.7 -48.01 76.27 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 126.708 2.003 . . . . 1.0 112.406 171.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.85 -22.98 58.37 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.742 2.417 . . . . 1.0 116.996 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.54 -33.04 1.61 Allowed Glycine 0 CA--C 1.545 1.919 0 C-N-CA 125.496 1.522 . . . . 1.0 112.953 -171.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HE3' HG12 ' A' ' 56' ' ' VAL . 38.1 tttp -68.19 118.39 58.51 Favored Pre-proline 0 N--CA 1.482 1.165 0 C-N-CA 128.524 2.73 . . . . 1.0 108.615 171.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.09 56.86 0.05 OUTLIER 'Trans proline' 0 CA--C 1.557 1.668 1 C-N-CA 126.04 4.493 . . . . 1.0 115.959 173.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' A' ' 49' ' ' GLN . 17.1 m -58.53 143.64 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 O-C-N 120.269 -1.519 . . . . 1.0 113.475 -172.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -125.73 -47.93 1.67 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.422 1.089 . . . . 1.0 112.497 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -105.3 -179.63 4.0 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 128.667 2.787 . . . . 1.0 113.489 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.15 161.73 32.29 Favored Pre-proline 0 N--CA 1.487 1.393 0 C-N-CA 126.877 2.071 . . . . 1.0 110.547 172.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -74.61 169.46 74.15 Favored 'Cis proline' 0 CA--C 1.55 1.306 0 N-CA-C 115.491 1.304 . . . . 1.0 115.491 4.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.414 HE22 ' CG1' ' A' ' 56' ' ' VAL . 80.1 mm-40 -140.5 80.4 1.75 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.385 2.274 . . . . 1.0 112.49 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.494 HD12 ' HB1' ' A' ' 17' ' ' ALA . 11.7 mt -113.37 151.85 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 128.228 2.611 . . . . 1.0 115.294 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -129.14 111.62 13.12 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 129.114 2.965 . . . . 1.0 110.316 176.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.9 t -94.81 133.14 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 126.02 1.728 . . . . 1.0 109.433 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 39.96 56.72 2.44 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 129.319 3.048 . . . . 1.0 110.585 -171.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.287 1.5 pt20 54.0 13.47 0.57 Allowed 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 129.792 3.237 . . . . 1.0 119.311 -172.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.29 147.22 48.28 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 121.6 2.0 . . . . 1.0 113.423 172.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -60.83 124.46 20.51 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.949 1.463 . . . . 1.0 114.949 -171.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -138.1 96.98 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 129.117 2.967 . . . . 1.0 104.666 171.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -16.99 -59.01 0.01 OUTLIER Glycine 0 N--CA 1.479 1.559 0 C-N-CA 127.881 2.658 . . . . 1.0 117.837 -172.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.59 -139.56 11.05 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 126.931 2.205 . . . . 1.0 110.707 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.466 ' H ' ' HB2' ' A' ' 17' ' ' ALA . 13.6 t80 -32.89 -55.07 0.38 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.384 2.274 . . . . 1.0 114.933 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 t -53.93 -61.84 2.04 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 125.934 1.694 . . . . 1.0 114.108 171.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.88 -57.83 4.58 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 129.953 3.301 . . . . 1.0 111.968 -174.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -47.7 -44.97 28.07 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 129.181 2.993 . . . . 1.0 113.734 172.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.74 -50.69 72.97 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.331 0.969 . . . . 1.0 112.178 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.04 92.4 Favored 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 124.552 1.141 . . . . 1.0 113.73 173.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -57.26 -52.98 63.14 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 129.357 3.063 . . . . 1.0 112.567 172.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.48 -46.56 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 127.11 2.164 . . . . 1.0 111.163 171.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -58.31 -36.0 72.69 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.163 1.347 . . . . 1.0 114.101 175.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -56.67 -15.95 5.42 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 120.019 1.281 . . . . 1.0 113.161 170.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -99.86 -59.86 1.64 Allowed 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 129.297 3.039 . . . . 1.0 113.397 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.7 mt -78.92 -29.34 44.1 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 127.793 2.437 . . . . 1.0 116.6 -172.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.45 6.88 37.88 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 128.999 2.919 . . . . 1.0 113.19 172.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.185 0 C-N-CA 129.803 3.241 . . . . 1.0 116.83 -171.516 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 123.532 1.634 . . . . 1.0 113.217 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 45.2 t -141.57 151.87 43.57 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.126 2.171 . . . . 1.0 114.863 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 149.89 -10.05 0.89 Allowed Glycine 0 CA--C 1.54 1.608 0 C-N-CA 128.041 2.734 . . . . 1.0 117.396 171.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.23 22.29 2.61 Favored 'General case' 0 CA--C 1.572 1.826 0 C-N-CA 126.862 2.065 . . . . 1.0 115.813 171.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 6.5 t -73.4 142.3 46.96 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 131.179 3.792 . . . . 1.0 116.811 -171.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt 177.16 166.71 0.57 Allowed 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 129.857 3.263 . . . . 1.0 114.211 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.6 tp . . . . . 0 N--CA 1.498 1.931 0 C-N-CA 129.913 3.285 . . . . 1.0 114.542 172.359 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.412 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 94.0 mmm . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 118.89 -0.576 . . . . 1.0 110.165 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.33 120.89 38.97 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 126.491 1.917 . . . . 1.0 112.354 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.6 m -120.7 115.18 22.84 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 125.636 1.575 . . . . 1.0 110.162 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.4 t -111.47 132.21 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.418 2.287 . . . . 1.0 111.706 -171.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.52 126.33 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 126.803 2.041 . . . . 1.0 112.255 -171.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.412 ' HB3' HG21 ' A' ' 38' ' ' ILE . 85.5 m-85 -104.72 97.03 6.98 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.191 1.796 . . . . 1.0 113.162 -175.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.99 68.44 1.29 Allowed Glycine 0 CA--C 1.539 1.573 0 C-N-CA 127.343 2.401 . . . . 1.0 118.787 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 25.3 ttt180 -67.55 -60.08 2.84 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 128.095 2.558 . . . . 1.0 109.86 171.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -65.49 72.63 0.05 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.47 2.708 . . . . 1.0 112.202 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.85 -23.89 0.04 OUTLIER Glycine 0 CA--C 1.538 1.49 0 N-CA-C 117.559 1.784 . . . . 1.0 117.559 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.4 p -164.66 144.96 6.19 Favored Pre-proline 0 CA--C 1.553 1.095 0 CA-C-N 119.707 1.754 . . . . 1.0 115.242 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -64.43 -36.82 42.2 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 123.561 2.841 . . . . 1.0 114.579 -172.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . 0.262 7.2 m-30 -68.15 -38.49 82.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 119.115 0.871 . . . . 1.0 112.645 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.537 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.6 t -62.3 -42.9 99.75 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.071 0.949 . . . . 1.0 111.435 171.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.29 -51.62 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-O 118.18 -0.914 . . . . 1.0 110.274 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -54.45 -41.93 70.0 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.695 1.198 . . . . 1.0 111.906 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 72' ' ' TYR . . . -60.98 -46.6 90.07 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 126.026 1.73 . . . . 1.0 113.269 172.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -54.58 45.34 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.248 1.819 . . . . 1.0 112.222 172.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -43.22 63.36 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 128.121 2.568 . . . . 1.0 112.937 176.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -54.3 -48.92 70.74 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.643 1.177 . . . . 1.0 113.298 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.15 91.31 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.825 1.25 . . . . 1.0 113.591 172.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -57.96 -45.27 86.95 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.53 1.532 . . . . 1.0 113.472 172.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.76 -45.03 78.15 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 129.573 3.149 . . . . 1.0 112.586 172.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.9 -43.71 87.41 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.218 1.807 . . . . 1.0 111.29 171.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -57.36 -35.84 70.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.69 1.596 . . . . 1.0 113.658 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -66.3 -47.76 72.55 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.536 2.335 . . . . 1.0 110.705 171.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -63.43 -30.24 71.4 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.436 2.694 . . . . 1.0 113.669 -176.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -133.76 -175.11 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 116.334 1.976 . . . . 1.0 116.334 -172.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -122.02 -27.47 4.58 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 129.957 3.303 . . . . 1.0 115.394 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -68.81 -32.27 71.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 130.756 3.622 . . . . 1.0 116.076 172.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -98.03 102.85 14.72 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.105 2.962 . . . . 1.0 115.423 -171.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -99.3 132.31 44.71 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 128.867 2.867 . . . . 1.0 111.541 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.26 136.39 53.15 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.857 2.463 . . . . 1.0 112.762 -173.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -129.93 133.46 46.85 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.713 -1.242 . . . . 1.0 112.109 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 9.0 t80 -111.11 123.62 50.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.208 1.403 . . . . 1.0 112.531 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 t -124.13 118.57 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 128.209 2.603 . . . . 1.0 110.593 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.309 0.0 OUTLIER -63.97 150.41 45.2 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.296 -1.502 . . . . 1.0 114.007 171.323 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' A' ' 6' ' ' PHE 0.276 2.0 pp -122.21 -45.11 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.831 1.252 . . . . 1.0 111.592 172.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' B' ' 150' ' ' ILE . 13.4 ttm180 -63.14 -41.67 99.34 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.947 1.299 . . . . 1.0 112.432 174.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.2 -55.64 11.56 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.272 0.942 . . . . 1.0 111.34 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.41 -11.42 22.91 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 130.132 3.373 . . . . 1.0 115.453 -172.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.08 16.72 68.93 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 126.393 1.949 . . . . 1.0 115.537 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mt -99.95 159.25 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 128.449 2.699 . . . . 1.0 110.095 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -148.77 169.03 21.37 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 -171.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.3 0.1 OUTLIER -57.25 -25.17 58.74 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.714 1.206 . . . . 1.0 114.232 173.393 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -68.17 -38.0 81.59 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 127.067 2.147 . . . . 1.0 112.079 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.32 -55.14 9.9 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 127.925 2.49 . . . . 1.0 111.28 171.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.0 mt -54.17 -47.3 72.16 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.176 2.191 . . . . 1.0 113.492 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.743 ' HB3' HG22 ' A' ' 56' ' ' VAL . 7.0 pt20 -59.29 -38.95 81.46 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.352 1.242 . . . . 1.0 114.352 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.72 -58.11 8.61 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.973 1.309 . . . . 1.0 111.496 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -50.29 -47.72 55.37 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.083 1.753 . . . . 1.0 114.126 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.02 -23.77 66.62 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.313 1.845 . . . . 1.0 115.757 174.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.64 -1.55 85.61 Favored Glycine 0 CA--C 1.547 2.091 0 C-N-CA 126.92 2.2 . . . . 1.0 117.152 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -126.97 127.11 24.44 Favored Pre-proline 0 N--CA 1.482 1.125 0 C-N-CA 129.672 3.189 . . . . 1.0 111.046 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -56.98 107.38 0.28 Allowed 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.479 3.453 . . . . 1.0 111.792 171.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.743 HG22 ' HB3' ' A' ' 49' ' ' GLN . 24.1 m -96.88 151.38 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.308 1.443 . . . . 1.0 110.815 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.6 -40.53 3.57 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.242 1.417 . . . . 1.0 114.277 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.463 ' HB ' ' H ' ' B' ' 147' ' ' ALA . 37.1 p -139.13 -178.32 5.3 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.27 1.828 . . . . 1.0 112.97 -172.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.37 153.38 65.54 Favored Pre-proline 0 N--CA 1.484 1.23 0 C-N-CA 126.659 1.984 . . . . 1.0 111.505 171.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.76 163.55 87.78 Favored 'Cis proline' 0 CA--C 1.545 1.055 0 N-CA-C 115.253 1.213 . . . . 1.0 115.253 7.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.442 HE22 HG11 ' A' ' 56' ' ' VAL . 85.0 mm-40 -136.06 72.56 1.44 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.718 2.007 . . . . 1.0 111.847 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 84.9 mt -108.93 152.15 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 129.065 2.946 . . . . 1.0 114.43 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -125.59 139.42 53.6 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.997 2.519 . . . . 1.0 109.288 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 t -121.55 135.37 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 126.954 2.101 . . . . 1.0 109.503 172.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.31 0.1 OUTLIER 35.82 53.23 0.85 Allowed 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 128.205 2.602 . . . . 1.0 114.646 -172.416 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 69.1 4.2 4.44 Favored 'General case' 0 CA--C 1.568 1.641 1 C-N-CA 133.284 4.634 . . . . 1.0 115.953 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -103.33 140.38 37.5 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 128.437 2.695 . . . . 1.0 111.157 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -60.78 127.93 34.07 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.554 -1.341 . . . . 1.0 110.518 172.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.8 mm -140.34 98.01 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 129.267 3.027 . . . . 1.0 106.374 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -12.56 -64.25 0.01 OUTLIER Glycine 0 N--CA 1.48 1.599 0 C-N-CA 127.775 2.607 . . . . 1.0 116.496 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.78 -135.4 7.92 Favored Glycine 0 C--O 1.22 -0.742 0 C-N-CA 127.266 2.365 . . . . 1.0 110.068 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.409 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 57.3 t80 -33.25 -47.86 0.21 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.78 2.032 . . . . 1.0 114.468 -173.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 74' ' ' ASP . 11.2 t -62.41 -61.94 2.1 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 127.559 2.344 . . . . 1.0 115.557 171.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.464 ' H ' HG23 ' A' ' 73' ' ' THR . 0.4 OUTLIER -63.99 -51.26 65.12 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.984 2.114 . . . . 1.0 112.421 178.805 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -53.96 -48.39 70.35 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 129.267 3.027 . . . . 1.0 113.625 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.08 67.07 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 120.282 1.401 . . . . 1.0 111.895 172.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.78 -41.45 77.7 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.059 1.344 . . . . 1.0 114.378 173.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -63.65 -53.55 49.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.108 2.963 . . . . 1.0 112.974 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.0 -49.45 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.326 1.85 . . . . 1.0 111.04 172.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -54.03 -46.15 71.79 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.567 2.347 . . . . 1.0 113.371 172.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.91 -13.82 18.32 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 126.564 1.945 . . . . 1.0 114.358 171.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -101.01 -59.53 1.68 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 126.206 1.803 . . . . 1.0 114.445 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.62 -29.81 33.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 127.619 2.367 . . . . 1.0 116.212 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.84 -1.93 18.83 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 127.648 2.379 . . . . 1.0 113.214 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.346 0 C-N-CA 131.28 3.832 . . . . 1.0 114.497 -178.922 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.163 0 N-CA-C 107.843 -2.103 . . . . 1.0 107.843 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.05 107.66 6.54 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.612 1.965 . . . . 1.0 106.442 170.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -137.31 170.13 16.61 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.183 1.793 . . . . 1.0 113.488 -171.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -132.34 140.57 48.6 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.835 2.054 . . . . 1.0 111.714 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.4 115.92 29.51 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.921 1.689 . . . . 1.0 111.258 -175.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -126.3 140.35 52.58 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.42 1.488 . . . . 1.0 114.981 -175.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -105.26 112.03 25.0 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 127.444 2.297 . . . . 1.0 113.029 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.94 146.19 55.31 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 125.482 1.513 . . . . 1.0 112.016 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.98 98.12 5.8 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.015 1.326 . . . . 1.0 112.96 176.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.2 p -75.82 -37.58 2.29 Favored Pre-proline 0 N--CA 1.484 1.243 0 CA-C-O 116.714 -1.612 . . . . 1.0 115.155 172.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -78.57 166.93 23.36 Favored 'Trans proline' 0 C--N 1.362 1.266 0 C-N-CA 122.803 2.335 . . . . 1.0 113.624 173.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 8.6 t -92.12 169.65 10.46 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.575 1.55 . . . . 1.0 112.351 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 5.6 tp -78.36 -2.86 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 126.062 1.745 . . . . 1.0 114.934 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -14.52 118.82 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 130.805 3.642 . . . . 1.0 115.039 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -97.5 97.34 9.0 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.174 -0.954 . . . . 1.0 111.135 -171.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -156.3 4.93 0.17 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 120.586 3.551 . . . . 1.0 120.586 -171.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 137.05 22.54 0.51 Allowed Glycine 0 N--CA 1.485 1.934 1 N-CA-C 126.05 5.18 . . . . 1.0 126.05 171.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 15.8 p -47.92 111.13 0.39 Allowed 'General case' 0 N--CA 1.501 2.08 1 CA-C-N 124.451 4.126 . . . . 1.0 113.459 171.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -76.04 -9.39 58.58 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 119.459 3.133 . . . . 1.0 119.459 -171.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.1 t -128.06 -178.23 4.45 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.349 1.611 . . . . 1.0 115.349 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 160.74 0.07 0.07 OUTLIER Glycine 0 N--CA 1.486 2.033 0 N-CA-C 118.201 2.04 . . . . 1.0 118.201 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' ALA . . . . . 0.463 ' H ' ' HB ' ' A' ' 58' ' ' THR . . . 54.76 18.58 2.18 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 129.417 3.087 . . . . 1.0 117.64 172.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 36.4 t -73.46 146.83 44.68 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.887 2.475 . . . . 1.0 114.224 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt 177.06 179.15 0.23 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 127.745 2.418 . . . . 1.0 114.021 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 5.8 tp . . . . . 0 N--CA 1.488 1.443 1 C-N-CA 131.885 4.074 . . . . 1.0 115.468 171.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 116.834 -1.555 . . . . 1.0 108.347 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.21 118.59 32.25 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 117.679 2.474 . . . . 1.0 117.679 -170.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.8 m -119.59 121.0 38.35 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 126.109 1.763 . . . . 1.0 113.029 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.48 124.33 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 127.656 2.383 . . . . 1.0 111.291 -173.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -113.19 121.34 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 C-N-CA 125.641 1.576 . . . . 1.0 112.687 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -99.91 111.12 23.44 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.087 1.755 . . . . 1.0 113.634 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.04 54.7 3.12 Favored Glycine 0 CA--C 1.54 1.605 0 N-CA-C 119.53 2.572 . . . . 1.0 119.53 169.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -65.32 -54.44 29.06 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 119.721 1.76 . . . . 1.0 113.325 171.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -62.39 92.49 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.319 2.648 . . . . 1.0 113.625 -169.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.46 -0.51 8.06 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 118.682 2.233 . . . . 1.0 118.682 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 p -141.37 116.91 7.2 Favored Pre-proline 0 CA--C 1.556 1.186 0 CA-C-N 120.509 2.155 . . . . 1.0 113.409 173.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -61.33 -27.74 83.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 124.451 3.434 . . . . 1.0 115.66 -169.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -68.67 -38.58 80.51 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.69 0.796 . . . . 1.0 111.456 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -68.99 -38.61 79.41 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.852 2.061 . . . . 1.0 113.201 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.7 t -53.25 -54.27 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.707 1.203 . . . . 1.0 111.626 170.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -57.54 -42.07 82.22 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.247 1.419 . . . . 1.0 111.469 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.58 69.23 Favored 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 115.161 1.541 . . . . 1.0 115.161 171.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -53.5 50.81 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.026 1.331 . . . . 1.0 113.315 173.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -52.92 -41.95 64.94 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.981 2.112 . . . . 1.0 112.597 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.25 -48.05 74.54 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.55 1.94 . . . . 1.0 113.883 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.54 95.8 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.893 1.277 . . . . 1.0 113.99 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.86 -41.85 96.7 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.313 1.445 . . . . 1.0 114.259 173.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -52.2 -52.17 53.79 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 128.923 2.889 . . . . 1.0 110.947 169.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.08 -48.66 80.68 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 126.507 1.923 . . . . 1.0 113.784 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t -56.5 -36.38 69.1 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.674 1.59 . . . . 1.0 114.76 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -42.42 75.09 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.398 2.279 . . . . 1.0 114.497 169.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -63.43 -26.24 68.64 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.464 1.906 . . . . 1.0 113.373 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -137.25 171.52 14.37 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 116.74 2.126 . . . . 1.0 116.74 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -112.11 -1.03 15.43 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 127.286 2.234 . . . . 1.0 115.39 171.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.8 p-10 -85.26 -32.91 22.31 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.75 2.02 . . . . 1.0 114.769 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -95.97 104.65 16.6 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 129.106 2.962 . . . . 1.0 112.734 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -95.8 133.16 40.26 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 130.278 3.431 . . . . 1.0 110.152 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 138.67 54.26 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.317 1.447 . . . . 1.0 114.474 -171.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -128.53 131.14 48.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.629 1.572 . . . . 1.0 111.823 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -109.2 126.64 53.49 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.648 1.579 . . . . 1.0 114.47 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.33 111.87 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 125.443 1.497 . . . . 1.0 112.761 174.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.488 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.291 0.0 OUTLIER -65.09 155.08 35.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 119.333 -2.104 . . . . 1.0 113.56 167.895 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.265 2.0 pp -110.92 -39.44 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 124.608 1.163 . . . . 1.0 111.584 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -70.51 -26.82 63.77 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.218 1.807 . . . . 1.0 113.863 170.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -85.26 -57.16 3.19 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.521 1.528 . . . . 1.0 112.506 173.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.29 -20.92 65.9 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 117.13 2.27 . . . . 1.0 117.13 175.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.3 51.21 4.22 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 125.353 1.454 . . . . 1.0 114.318 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mt -122.46 159.95 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 128.964 2.906 . . . . 1.0 110.676 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -151.88 166.17 32.27 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.47 1.508 . . . . 1.0 114.41 -174.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -37.51 -45.1 0.71 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 129.129 2.972 . . . . 1.0 115.528 170.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 -61.1 -44.43 97.36 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 128.557 2.743 . . . . 1.0 111.606 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -64.8 -54.93 23.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.222 2.209 . . . . 1.0 111.359 171.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt -57.37 -45.1 84.77 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.799 2.04 . . . . 1.0 113.556 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.568 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.9 pt20 -64.49 -36.71 85.08 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 115.018 1.488 . . . . 1.0 115.018 174.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -66.32 -53.28 38.29 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.543 1.065 . . . . 1.0 111.683 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -53.98 -44.12 70.55 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.918 1.687 . . . . 1.0 114.209 171.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.17 -25.57 63.51 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 117.021 2.23 . . . . 1.0 117.021 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.93 -39.27 0.79 Allowed Glycine 0 CA--C 1.548 2.129 0 C-N-CA 126.006 1.765 . . . . 1.0 114.166 -168.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -63.12 125.9 87.91 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 128.732 2.813 . . . . 1.0 110.559 171.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -64.51 105.39 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 123.018 2.479 . . . . 1.0 110.714 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' ' 49' ' ' GLN . 10.3 m -100.69 144.33 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.384 1.474 . . . . 1.0 112.204 174.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -114.35 -35.64 4.9 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.382 1.873 . . . . 1.0 114.283 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.0 p -139.17 -177.3 4.85 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.953 2.101 . . . . 1.0 112.844 -171.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.87 162.32 50.24 Favored Pre-proline 0 N--CA 1.49 1.574 0 C-N-CA 127.599 2.36 . . . . 1.0 111.583 169.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.19 164.91 85.75 Favored 'Cis proline' 0 CA--C 1.544 1.008 0 CA-C-N 120.574 1.241 . . . . 1.0 114.04 -0.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -139.81 80.38 1.77 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.022 2.129 . . . . 1.0 111.1 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.0 mt -110.41 144.52 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 126.715 2.006 . . . . 1.0 112.433 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -115.96 141.8 47.63 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.485 1.514 . . . . 1.0 108.863 170.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.4 t -125.31 129.69 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 C-N-CA 126.091 1.756 . . . . 1.0 110.033 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.35 0.2 OUTLIER 35.47 41.94 0.11 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 128.068 2.547 . . . . 1.0 114.602 -169.434 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 83.32 2.63 0.99 Allowed 'General case' 0 CA--C 1.557 1.248 1 C-N-CA 132.879 4.471 . . . . 1.0 115.562 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.5 140.43 29.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.891 2.077 . . . . 1.0 111.308 176.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -61.23 129.2 40.09 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.226 -0.922 . . . . 1.0 110.873 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.7 mm -126.73 170.89 16.02 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 C-N-CA 129.416 3.087 . . . . 1.0 108.607 170.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.26 -73.31 0.78 Allowed Glycine 0 CA--C 1.538 1.5 0 O-C-N 119.054 -2.278 . . . . 1.0 112.195 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.52 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 136.3 -137.42 9.08 Favored Glycine 0 C--O 1.217 -0.931 0 C-N-CA 128.094 2.759 . . . . 1.0 109.869 -170.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -30.6 -61.12 0.18 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 127.483 2.313 . . . . 1.0 114.446 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 t -44.92 -59.03 2.77 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 128.232 2.613 . . . . 1.0 115.578 170.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.52 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -70.4 -51.88 26.42 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 130.811 3.644 . . . . 1.0 111.673 -177.054 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.52 -46.39 73.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 130.716 3.606 . . . . 1.0 113.509 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.08 -53.81 53.9 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.536 1.534 . . . . 1.0 112.378 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.58 -44.22 76.71 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 125.289 1.436 . . . . 1.0 113.666 173.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -58.13 -52.71 64.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.32 2.248 . . . . 1.0 113.307 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.7 t -55.32 -50.96 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 125.167 1.387 . . . . 1.0 112.001 170.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -49.75 -57.16 7.85 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 126.669 1.988 . . . . 1.0 112.595 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -11.26 3.0 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 116.259 1.948 . . . . 1.0 116.259 172.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -93.8 -60.59 1.72 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.209 -1.557 . . . . 1.0 111.449 169.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.1 mt -82.35 -55.71 4.34 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.624 2.369 . . . . 1.0 114.298 -171.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.09 4.69 25.24 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 128.643 2.777 . . . . 1.0 115.823 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.993 0 C-N-CA 131.271 3.828 . . . . 1.0 118.444 -168.161 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.134 0 N-CA-C 108.219 -1.952 . . . . 1.0 108.219 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.06 104.91 5.15 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.996 2.118 . . . . 1.0 107.89 168.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -139.06 162.42 34.97 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 126.212 1.805 . . . . 1.0 113.322 -170.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -143.96 143.69 31.35 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.426 2.29 . . . . 1.0 113.78 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -108.5 98.18 7.74 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.508 1.923 . . . . 1.0 113.426 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -108.17 144.29 35.8 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.723 2.409 . . . . 1.0 113.869 177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -100.93 146.0 27.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.212 1.805 . . . . 1.0 113.304 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -123.81 140.5 52.92 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.035 2.134 . . . . 1.0 111.941 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.92 103.04 5.04 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.915 1.286 . . . . 1.0 113.991 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.95 -33.41 2.89 Favored Pre-proline 0 N--CA 1.486 1.346 0 CA-C-O 116.63 -1.652 . . . . 1.0 115.21 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.23 159.97 26.36 Favored 'Trans proline' 0 C--N 1.365 1.398 0 CA-C-N 123.485 2.28 . . . . 1.0 113.159 170.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 7.4 t -89.77 175.7 7.13 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.269 1.211 . . . . 1.0 114.269 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 10.7 tt -80.06 41.02 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.419 0 C-N-CA 129.243 3.017 . . . . 1.0 115.672 -170.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -39.91 132.68 1.74 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 129.887 3.275 . . . . 1.0 114.938 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -120.29 95.26 4.67 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.822 1.249 . . . . 1.0 111.319 172.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -163.27 -93.47 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.056 1.502 . . . . 1.0 115.056 -171.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -91.54 15.39 61.55 Favored Glycine 0 N--CA 1.481 1.669 1 N-CA-C 123.476 4.15 . . . . 1.0 123.476 -167.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.4 t -58.83 115.34 3.03 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 121.471 2.635 . . . . 1.0 114.742 -175.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.41 -7.43 28.7 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 119.572 3.175 . . . . 1.0 119.572 -170.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.6 t -137.85 -166.96 2.05 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 126.366 1.866 . . . . 1.0 114.187 -174.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 154.8 3.08 0.11 Allowed Glycine 0 N--CA 1.488 2.138 0 C-N-CA 126.719 2.104 . . . . 1.0 117.613 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . 0.26 . . 51.27 19.36 0.74 Allowed 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 118.419 2.748 . . . . 1.0 118.419 168.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 5.1 t -72.29 159.51 33.93 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 128.965 2.906 . . . . 1.0 113.906 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.4 174.27 1.02 Allowed 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 128.052 2.541 . . . . 1.0 111.679 -168.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 150' ' ' ILE . . . . . 0.416 HG22 ' H ' ' B' ' 150' ' ' ILE . 4.7 tp . . . . . 0 N--CA 1.492 1.671 1 C-N-CA 132.7 4.4 . . . . 1.0 115.053 167.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttm . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 112.775 0.657 . . . . 1.0 112.775 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -113.48 123.32 49.75 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.378 1.871 . . . . 1.0 110.839 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.5 m -124.66 121.74 35.55 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.845 1.258 . . . . 1.0 113.845 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -112.16 126.58 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 127.313 2.245 . . . . 1.0 111.812 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mp -118.45 124.42 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 126.616 1.966 . . . . 1.0 113.062 -171.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.73 103.69 13.19 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.032 2.133 . . . . 1.0 112.966 -171.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.24 54.91 3.4 Favored Glycine 0 CA--C 1.541 1.683 0 N-CA-C 118.098 1.999 . . . . 1.0 118.098 171.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -53.06 -27.59 20.74 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 126.401 1.88 . . . . 1.0 115.3 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 t -63.82 126.13 26.62 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 128.606 2.763 . . . . 1.0 117.55 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.41 6.99 67.06 Favored Glycine 0 CA--C 1.543 1.801 0 C-N-CA 127.893 2.663 . . . . 1.0 118.979 170.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.8 p -141.45 120.71 8.15 Favored Pre-proline 0 CA--C 1.557 1.244 0 CA-C-N 120.034 1.917 . . . . 1.0 113.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -60.12 -32.09 94.17 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 123.928 3.085 . . . . 1.0 114.158 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -50.92 -50.77 56.86 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.86 2.064 . . . . 1.0 112.981 171.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -70.93 -40.12 72.25 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.372 1.869 . . . . 1.0 114.177 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.73 -54.53 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 CA-C-O 117.661 -1.162 . . . . 1.0 111.748 172.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -57.36 -43.74 83.78 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.476 1.034 . . . . 1.0 112.149 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.0 -46.71 75.21 Favored 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 114.403 1.26 . . . . 1.0 114.403 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -55.0 20.56 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.751 1.221 . . . . 1.0 113.51 170.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.6 -40.83 66.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.256 2.222 . . . . 1.0 112.587 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -55.58 -48.7 74.39 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 126.153 1.781 . . . . 1.0 113.742 170.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.41 92.89 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 125.844 1.658 . . . . 1.0 114.812 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.37 -44.08 92.78 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.066 1.346 . . . . 1.0 113.353 173.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -51.36 -53.37 36.94 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.94 2.496 . . . . 1.0 111.118 170.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.98 -45.99 85.9 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.915 1.686 . . . . 1.0 113.173 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 t -62.06 -33.55 74.61 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.303 1.223 . . . . 1.0 114.303 172.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -68.38 -53.34 24.58 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 127.208 2.203 . . . . 1.0 113.028 170.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.73 -34.61 78.26 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 130.238 3.415 . . . . 1.0 114.69 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -118.56 158.93 24.48 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 127.431 2.292 . . . . 1.0 112.668 -171.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -90.39 -32.19 16.55 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 127.644 2.377 . . . . 1.0 113.893 170.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -34.46 78.27 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 129.017 2.927 . . . . 1.0 114.679 -176.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -95.56 117.93 31.33 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.97 2.908 . . . . 1.0 116.566 -167.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.17 135.12 54.16 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.845 2.858 . . . . 1.0 114.149 172.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -117.74 138.62 51.91 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 128.027 2.531 . . . . 1.0 114.313 -172.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -128.45 132.29 48.42 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 127.541 2.336 . . . . 1.0 111.187 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -112.69 125.78 54.68 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.468 1.907 . . . . 1.0 112.482 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -121.68 112.57 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 127.668 2.387 . . . . 1.0 111.893 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.09 70.17 2.04 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 116.215 1.931 . . . . 1.0 116.215 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -55.23 -38.62 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 118.525 -2.609 . . . . 1.0 112.241 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -70.53 -3.86 20.1 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 129.309 3.044 . . . . 1.0 115.205 173.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.51 -41.91 1.99 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.084 1.353 . . . . 1.0 113.338 172.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -61.03 -20.73 62.88 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 129.221 3.008 . . . . 1.0 114.433 171.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.2 30.64 6.22 Favored Glycine 0 N--CA 1.484 1.857 0 C-N-CA 127.428 2.442 . . . . 1.0 116.551 170.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.9 mt -118.22 151.5 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 129.005 2.922 . . . . 1.0 111.453 -170.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 t -134.39 169.62 16.97 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.394 1.627 . . . . 1.0 115.394 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.55 -41.95 22.48 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 128.73 2.812 . . . . 1.0 114.044 171.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -60.54 -38.8 85.62 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.503 2.321 . . . . 1.0 112.608 176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -69.75 -55.12 10.76 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.385 1.474 . . . . 1.0 111.154 169.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 mt -53.38 -40.28 64.88 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.283 1.833 . . . . 1.0 113.879 -174.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.664 ' HB3' HG22 ' A' ' 56' ' ' VAL . 5.6 pt20 -59.25 -48.22 82.43 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.86 1.209 . . . . 1.0 114.153 171.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -64.74 -48.22 75.37 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.942 1.697 . . . . 1.0 111.913 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -37.5 71.48 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.307 2.643 . . . . 1.0 113.81 174.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.0 50.35 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.674 2.39 . . . . 1.0 115.256 169.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.52 18.19 73.44 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.441 1.496 . . . . 1.0 114.354 -170.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -134.58 129.37 19.45 Favored Pre-proline 0 N--CA 1.488 1.474 0 C-N-CA 131.266 3.826 . . . . 1.0 110.152 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -59.58 120.8 8.84 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 122.519 2.146 . . . . 1.0 111.447 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.664 HG22 ' HB3' ' A' ' 49' ' ' GLN . 19.7 m -125.93 145.15 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 126.479 1.911 . . . . 1.0 112.842 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -119.07 -33.38 4.18 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.69 1.996 . . . . 1.0 114.132 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.7 p -136.9 179.42 6.39 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 128.547 2.739 . . . . 1.0 114.385 -170.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.85 160.53 63.49 Favored Pre-proline 0 N--CA 1.491 1.624 0 C-N-CA 124.895 1.278 . . . . 1.0 110.813 168.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.85 166.7 78.36 Favored 'Cis proline' 0 CA--C 1.549 1.269 0 N-CA-C 114.993 1.113 . . . . 1.0 114.993 -0.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -139.2 85.13 2.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.984 2.114 . . . . 1.0 111.559 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.4 mt -119.66 153.14 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 127.941 2.497 . . . . 1.0 113.331 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -128.35 113.73 15.97 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.988 2.115 . . . . 1.0 109.705 171.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.69 146.51 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 C-N-CA 125.533 1.533 . . . . 1.0 109.906 172.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.284 1.4 p30 52.96 6.69 0.06 Allowed 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 128.461 2.704 . . . . 1.0 117.454 -177.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 95.76 9.37 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.555 1 C-N-CA 133.147 4.579 . . . . 1.0 115.317 -171.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -112.09 148.8 33.15 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 127.645 2.378 . . . . 1.0 112.778 171.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.11 111.8 2.1 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.187 -1.57 . . . . 1.0 112.583 173.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.9 mm -123.35 104.89 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 128.328 2.651 . . . . 1.0 105.405 170.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -17.3 -64.52 0.01 OUTLIER Glycine 0 N--CA 1.477 1.378 0 C-N-CA 128.725 3.06 . . . . 1.0 116.708 -170.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.63 -137.61 9.53 Favored Glycine 0 C--O 1.218 -0.901 0 C-N-CA 127.584 2.516 . . . . 1.0 111.336 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -29.93 -54.26 0.16 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 127.347 2.259 . . . . 1.0 115.085 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 t -67.54 -40.42 85.0 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 117.55 2.426 . . . . 1.0 117.55 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -72.56 -60.68 2.11 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 127.281 2.232 . . . . 1.0 112.01 170.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -39.55 69.99 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.322 3.049 . . . . 1.0 114.931 -175.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.04 85.48 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 119.225 0.921 . . . . 1.0 113.132 170.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.34 -43.43 79.05 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.328 1.051 . . . . 1.0 112.214 170.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -58.18 -51.36 70.05 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.311 1.445 . . . . 1.0 112.45 169.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 52.5 t -50.3 -44.15 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.428 -1.42 . . . . 1.0 112.588 170.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -60.62 -43.86 97.0 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 119.862 1.21 . . . . 1.0 112.772 170.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -59.98 -12.05 7.11 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 127.594 2.358 . . . . 1.0 115.185 169.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -101.95 -60.98 1.44 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 127.229 2.212 . . . . 1.0 112.564 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.6 mt -81.77 -52.54 7.02 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.622 1.969 . . . . 1.0 114.456 -171.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -83.73 -4.69 58.83 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.851 2.06 . . . . 1.0 115.809 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 1 C-N-CA 132.5 4.32 . . . . 1.0 117.866 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.21 0 N-CA-C 108.055 -2.018 . . . . 1.0 108.055 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.77 104.4 5.08 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.272 1.829 . . . . 1.0 107.172 168.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -139.35 172.25 13.09 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.959 2.503 . . . . 1.0 112.539 -171.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -97.37 111.2 23.55 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.174 1.389 . . . . 1.0 111.437 170.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -122.02 102.25 8.04 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.785 2.034 . . . . 1.0 110.787 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -127.08 130.56 50.13 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.509 1.924 . . . . 1.0 113.063 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -99.3 87.4 3.63 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.636 1.974 . . . . 1.0 113.242 -171.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -63.85 170.01 3.75 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.222 1.809 . . . . 1.0 114.99 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.589 HD13 ' H ' ' B' ' 134' ' ' LEU 0.275 0.0 OUTLIER -50.1 94.32 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.475 0 N-CA-C 116.28 1.955 . . . . 1.0 116.28 -169.657 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' B' B ' 135' ' ' VAL . . . . . 0.606 ' H ' ' HD2' ' B' ' 136' ' ' PRO . 32.6 m -129.4 -29.46 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.285 0 C-N-CA 129.594 3.158 . . . . 1.0 115.648 176.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 136' ' ' PRO . . . . . 0.606 ' HD2' ' H ' ' B' ' 135' ' ' VAL . 84.1 Cg_endo -74.2 -28.46 10.68 Favored 'Trans proline' 0 C--N 1.363 1.333 0 CA-C-N 123.505 2.288 . . . . 1.0 113.333 170.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 73.3 m -153.32 106.19 2.94 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 114.589 1.329 . . . . 1.0 114.589 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 11.5 tt -83.41 17.92 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 129.162 2.985 . . . . 1.0 115.882 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -50.13 125.12 11.55 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.964 2.505 . . . . 1.0 113.423 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -120.07 94.83 4.52 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.217 1.407 . . . . 1.0 113.961 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.268 34.2 p30 -155.33 9.04 0.29 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 119.791 3.256 . . . . 1.0 119.791 176.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 177.12 75.16 0.05 OUTLIER Glycine 0 N--CA 1.48 1.62 0 CA-C-N 120.003 1.274 . . . . 1.0 115.616 174.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 2.4 t -131.17 94.08 3.5 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.416 1.487 . . . . 1.0 113.179 -176.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.64 14.79 1.54 Allowed 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 118.36 2.726 . . . . 1.0 118.36 -170.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -126.3 174.47 8.54 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 116.04 1.867 . . . . 1.0 116.04 -173.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 141.68 -11.85 2.67 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 129.99 3.662 . . . . 1.0 116.19 171.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.96 15.42 0.25 Allowed 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 127.647 2.379 . . . . 1.0 117.276 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 25.0 t -71.26 127.91 34.14 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.687 1.995 . . . . 1.0 114.661 -169.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.89 174.16 0.93 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 130.636 3.574 . . . . 1.0 112.787 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 N--CA 1.49 1.571 0 C-N-CA 128.874 2.869 . . . . 1.0 114.599 173.136 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mmm . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 119.178 -0.439 . . . . 1.0 110.723 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -109.01 124.78 51.27 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 127.365 2.266 . . . . 1.0 114.519 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.7 m -123.22 117.21 24.79 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 124.671 1.188 . . . . 1.0 112.415 170.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 t -110.51 132.8 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 C-N-CA 126.919 2.088 . . . . 1.0 111.289 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -121.52 126.72 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 125.939 1.696 . . . . 1.0 113.277 -171.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -102.45 109.6 21.3 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.725 2.41 . . . . 1.0 112.957 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.54 60.44 2.64 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 128.111 2.767 . . . . 1.0 119.681 169.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.447 ' H ' ' HE1' ' A' ' 35' ' ' TYR . 11.1 ttt180 -60.17 -45.22 93.85 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 119.815 1.808 . . . . 1.0 110.781 169.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -61.27 110.88 1.53 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.718 2.807 . . . . 1.0 112.353 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.04 -12.44 49.07 Favored Glycine 0 CA--C 1.541 1.695 0 N-CA-C 118.941 2.337 . . . . 1.0 118.941 170.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.82 126.21 17.76 Favored Pre-proline 0 CA--C 1.56 1.355 0 CA-C-N 120.838 2.319 . . . . 1.0 115.431 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.05 -32.52 27.85 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.569 3.513 . . . . 1.0 116.92 -169.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -70.36 -37.5 74.62 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 120.74 1.609 . . . . 1.0 111.45 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -61.42 -40.14 93.33 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.405 1.482 . . . . 1.0 113.249 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.4 t -55.68 -54.94 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.764 0.826 . . . . 1.0 110.777 170.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -58.82 -42.23 88.71 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.04 1.336 . . . . 1.0 111.759 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.17 -52.54 58.48 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.345 1.858 . . . . 1.0 114.693 171.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -51.73 61.74 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.072 1.349 . . . . 1.0 113.201 173.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -49.97 -43.11 50.02 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.334 2.254 . . . . 1.0 112.896 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mp -52.26 -55.67 19.73 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.616 1.967 . . . . 1.0 113.386 169.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.74 98.22 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 125.638 1.575 . . . . 1.0 113.96 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -56.32 -48.53 76.54 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.287 1.835 . . . . 1.0 113.031 171.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -55.91 -43.57 77.45 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 127.992 2.517 . . . . 1.0 113.079 169.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -46.47 89.05 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 126.407 1.883 . . . . 1.0 113.343 171.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -60.89 -32.29 71.75 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.568 1.547 . . . . 1.0 114.132 171.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -42.94 75.63 Favored 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 125.898 1.679 . . . . 1.0 112.362 168.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.49 -22.9 64.52 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 127.851 2.46 . . . . 1.0 114.965 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -138.22 170.34 16.2 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 117.791 2.515 . . . . 1.0 117.791 -170.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -116.38 18.24 15.26 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 128.292 2.637 . . . . 1.0 115.254 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -112.14 -30.01 7.38 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 128.809 2.844 . . . . 1.0 114.732 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -97.22 108.19 20.87 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 129.888 3.275 . . . . 1.0 113.865 -170.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.62 121.16 37.03 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 129.373 3.069 . . . . 1.0 108.531 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.64 138.38 47.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.605 1.162 . . . . 1.0 113.407 177.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -127.57 131.03 50.05 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.25 1.42 . . . . 1.0 111.181 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.447 ' HE1' ' H ' ' A' ' 8' ' ' ARG . 44.6 t80 -110.9 126.04 54.29 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.23 1.412 . . . . 1.0 114.786 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.52 117.53 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 127.02 2.128 . . . . 1.0 111.376 -177.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.305 0.0 OUTLIER -74.12 158.56 33.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 119.452 -2.03 . . . . 1.0 116.057 168.317 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.281 2.1 pp -121.33 -49.48 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 125.802 1.641 . . . . 1.0 112.276 178.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -63.91 -35.22 79.96 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.549 1.54 . . . . 1.0 114.052 171.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.43 -32.48 24.07 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 115.639 1.718 . . . . 1.0 115.639 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -83.43 -34.61 25.43 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.65 1.722 . . . . 1.0 115.65 171.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.03 56.01 0.71 Allowed Glycine 0 CA--C 1.544 1.863 0 C-N-CA 126.677 2.084 . . . . 1.0 114.342 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.9 mt -134.82 155.98 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 128.975 2.91 . . . . 1.0 110.657 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -146.09 166.93 24.66 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 115.729 1.752 . . . . 1.0 115.729 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.55 -47.32 1.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 129.131 2.972 . . . . 1.0 114.054 170.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -59.88 -34.84 73.69 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 127.998 2.519 . . . . 1.0 112.55 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -73.98 -55.47 6.11 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 127.354 2.262 . . . . 1.0 111.254 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.61 -44.73 85.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.207 2.203 . . . . 1.0 113.692 -172.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.586 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.9 pt20 -59.08 -35.42 73.36 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 120.303 1.41 . . . . 1.0 114.033 174.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -69.86 -47.5 62.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.192 1.397 . . . . 1.0 111.972 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -65.17 -26.56 68.21 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 127.121 2.168 . . . . 1.0 115.283 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.57 -35.6 20.95 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 127.162 2.185 . . . . 1.0 116.422 175.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.76 -31.98 2.98 Favored Glycine 0 CA--C 1.547 2.084 0 C-N-CA 126.534 2.016 . . . . 1.0 115.178 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -69.48 126.93 92.95 Favored Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 127.165 2.186 . . . . 1.0 109.383 169.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.64 85.43 0.6 Allowed 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.458 2.772 . . . . 1.0 110.783 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.586 HG22 ' HB3' ' A' ' 49' ' ' GLN . 16.7 m -78.56 149.66 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.943 1.297 . . . . 1.0 112.649 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -122.04 -38.77 2.67 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.535 1.934 . . . . 1.0 113.096 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.6 p -131.96 -176.23 3.99 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.491 2.316 . . . . 1.0 113.19 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.13 164.95 45.79 Favored Pre-proline 0 N--CA 1.493 1.72 0 C-N-CA 126.93 2.092 . . . . 1.0 112.059 169.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -69.97 168.36 68.5 Favored 'Cis proline' 0 CA--C 1.547 1.16 0 CA-C-N 120.236 1.12 . . . . 1.0 114.374 -4.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -138.71 83.81 1.98 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.257 2.223 . . . . 1.0 112.529 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.52 153.66 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 128.872 2.869 . . . . 1.0 113.67 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -132.32 132.58 43.08 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.545 2.338 . . . . 1.0 110.084 176.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.2 t -112.44 134.15 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 126.55 1.94 . . . . 1.0 109.986 172.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.324 0.1 OUTLIER 34.97 45.7 0.17 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 128.776 2.83 . . . . 1.0 113.622 -169.323 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 73.81 1.98 4.09 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 130.48 3.512 . . . . 1.0 117.487 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -94.79 139.52 31.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.709 2.404 . . . . 1.0 111.108 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -61.39 123.21 17.17 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.241 -1.537 . . . . 1.0 112.313 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.7 mm -134.65 93.42 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 130.016 3.326 . . . . 1.0 106.291 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -14.01 -57.55 0.01 OUTLIER Glycine 0 N--CA 1.482 1.736 0 C-N-CA 128.886 3.136 . . . . 1.0 118.514 -170.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.21 -143.38 14.81 Favored Glycine 0 N--CA 1.471 1.025 0 C-N-CA 128.168 2.794 . . . . 1.0 112.037 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -30.05 -60.64 0.17 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.996 2.518 . . . . 1.0 112.993 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 t -49.78 -59.79 3.5 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 127.352 2.261 . . . . 1.0 117.028 170.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.47 -48.24 50.5 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 130.611 3.564 . . . . 1.0 111.935 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -56.69 -45.09 81.99 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 131.159 3.783 . . . . 1.0 113.127 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.17 -49.55 75.62 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 117.673 -1.156 . . . . 1.0 112.794 171.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.48 81.6 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.452 1.101 . . . . 1.0 112.93 172.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -55.87 -56.01 25.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 125.226 1.41 . . . . 1.0 112.974 171.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.47 -45.33 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 125.95 1.7 . . . . 1.0 113.005 174.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -60.46 3.3 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.573 1.949 . . . . 1.0 111.461 173.465 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . 0.252 0.9 OUTLIER -59.5 -10.1 3.07 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 125.916 1.686 . . . . 1.0 115.387 175.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -90.57 -57.01 2.97 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 127.128 2.171 . . . . 1.0 111.444 168.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.8 mt -87.68 -57.07 3.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.194 2.597 . . . . 1.0 114.391 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.01 5.9 1.05 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 127.311 2.244 . . . . 1.0 113.491 168.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.264 1.817 0 C-N-CA 129.103 2.961 . . . . 1.0 115.241 -176.632 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.108 0 N-CA-C 108.025 -2.03 . . . . 1.0 108.025 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.18 104.46 5.21 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.979 1.712 . . . . 1.0 107.449 168.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -139.29 171.33 14.44 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.055 2.142 . . . . 1.0 113.135 -171.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -139.81 143.08 36.68 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 126.435 1.894 . . . . 1.0 111.923 171.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -105.14 90.63 3.5 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 126.555 1.942 . . . . 1.0 112.44 -172.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -105.11 143.28 33.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.751 2.02 . . . . 1.0 113.538 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -105.3 85.86 2.33 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 125.834 1.654 . . . . 1.0 113.549 -170.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.33 143.2 58.07 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 127.886 2.474 . . . . 1.0 112.854 173.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -148.28 142.82 26.46 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.791 1.636 . . . . 1.0 114.99 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -104.1 -25.36 0.2 Allowed Pre-proline 0 N--CA 1.492 1.645 0 C-N-CA 128.249 2.62 . . . . 1.0 117.043 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.01 173.19 14.35 Favored 'Trans proline' 0 CA--C 1.554 1.486 0 C-N-CA 123.777 2.984 . . . . 1.0 114.798 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 30.4 t -93.93 167.59 11.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.707 2.803 . . . . 1.0 114.028 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 16.1 tt -77.26 -5.03 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 C-N-CA 127.153 2.181 . . . . 1.0 115.393 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 6.86 102.97 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 1 C-N-CA 132.59 4.356 . . . . 1.0 117.399 169.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.41 95.42 7.65 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.619 1.568 . . . . 1.0 110.771 171.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.308 0.7 OUTLIER -142.3 -91.15 0.13 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.141 1.776 . . . . 1.0 110.041 -178.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -147.66 69.87 0.35 Allowed Glycine 0 CA--C 1.546 1.98 0 N-CA-C 119.123 2.409 . . . . 1.0 119.123 -170.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 1.3 t -65.17 139.03 58.63 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.612 1.338 . . . . 1.0 114.612 171.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.18 -15.12 19.04 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 120.77 3.619 . . . . 1.0 120.77 -168.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 6.1 t -141.23 -164.03 1.67 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 114.754 1.39 . . . . 1.0 114.754 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.58 3.85 0.19 Allowed Glycine 0 N--CA 1.479 1.541 0 C-N-CA 127.01 2.243 . . . . 1.0 117.466 170.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.81 16.64 0.34 Allowed 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 128.71 2.804 . . . . 1.0 117.899 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.45 143.65 48.39 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 129.698 3.199 . . . . 1.0 113.152 -174.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.87 171.69 1.07 Allowed 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 128.1 2.56 . . . . 1.0 112.321 -169.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.497 1.877 0 C-N-CA 128.339 2.656 . . . . 1.0 115.016 169.828 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.699 0.761 . . . . 1.0 110.147 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -112.37 121.14 44.03 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.809 2.444 . . . . 1.0 111.342 172.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 98.3 m -114.84 114.49 25.6 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.817 1.247 . . . . 1.0 109.673 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.8 t -110.08 122.42 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 126.619 1.968 . . . . 1.0 109.783 -171.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.415 HD13 ' HG2' ' A' ' 18' ' ' LYS . 2.0 mp -108.77 123.24 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.132 2.173 . . . . 1.0 112.545 -171.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.498 ' HB3' HG21 ' A' ' 38' ' ' ILE . 98.0 m-85 -106.45 107.12 17.97 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.952 1.701 . . . . 1.0 111.875 -177.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.17 58.52 2.31 Favored Glycine 0 N--CA 1.475 1.292 0 N-CA-C 118.279 2.071 . . . . 1.0 118.279 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 28.9 ttt180 -53.66 -56.1 20.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 126.543 1.937 . . . . 1.0 110.687 171.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -66.5 123.63 20.56 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.778 2.431 . . . . 1.0 113.533 174.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.18 -93.36 0.24 Allowed Glycine 0 CA--C 1.538 1.475 0 C-N-CA 128.294 2.854 . . . . 1.0 111.511 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 13.0 p -81.73 154.18 70.67 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 129.24 3.016 . . . . 1.0 116.548 174.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.42 -39.8 0.51 Allowed 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.869 3.046 . . . . 1.0 115.627 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' B' ' 143' ' ' SER . 5.7 m-30 -62.23 -38.1 87.92 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 121.352 1.887 . . . . 1.0 111.696 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.46 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.2 t -52.63 -45.08 66.5 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.785 1.234 . . . . 1.0 112.902 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.63 -52.24 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-O 118.531 -0.747 . . . . 1.0 110.908 171.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -56.88 -41.26 77.73 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.151 1.38 . . . . 1.0 111.297 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 72' ' ' TYR . . . -61.26 -46.15 91.54 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.481 2.713 . . . . 1.0 113.517 172.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' HG2' HD13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -60.4 -56.55 20.02 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.671 1.588 . . . . 1.0 111.648 172.272 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.81 -42.57 36.51 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 128.467 2.707 . . . . 1.0 112.516 172.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.43 -46.38 90.23 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 125.99 1.716 . . . . 1.0 112.549 171.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.87 98.18 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 119.476 1.034 . . . . 1.0 112.527 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.46 -43.65 93.15 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.237 1.015 . . . . 1.0 112.594 171.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -53.61 -50.13 66.33 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.435 1.894 . . . . 1.0 110.939 172.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -44.34 89.46 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.676 1.59 . . . . 1.0 114.65 172.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -63.36 -38.08 89.78 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.906 1.282 . . . . 1.0 113.994 172.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -65.7 -45.75 81.58 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 125.998 1.719 . . . . 1.0 110.707 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -66.19 -35.93 81.75 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 129.232 3.013 . . . . 1.0 115.194 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -130.01 151.24 50.78 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 126.318 1.847 . . . . 1.0 115.131 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -78.38 -30.89 48.15 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 129.358 3.063 . . . . 1.0 114.332 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -65.23 -30.38 71.27 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 130.292 3.437 . . . . 1.0 115.451 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -97.55 117.3 31.51 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 123.718 1.723 . . . . 1.0 115.141 -170.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -109.66 132.13 54.43 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 129.027 2.931 . . . . 1.0 110.966 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.28 135.94 54.82 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.991 1.716 . . . . 1.0 113.945 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.92 133.94 47.16 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.957 1.703 . . . . 1.0 111.227 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 15.9 t80 -116.87 123.75 47.81 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.813 1.412 . . . . 1.0 114.813 -176.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 t -120.52 113.9 41.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 128.253 2.621 . . . . 1.0 112.165 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.284 0.0 OUTLIER -77.1 82.76 3.61 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.212 -1.555 . . . . 1.0 114.938 176.274 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.498 HG21 ' HB3' ' A' ' 6' ' ' PHE . 2.3 pp -61.98 -38.72 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 118.601 -2.562 . . . . 1.0 111.874 176.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -6.0 24.89 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.279 3.032 . . . . 1.0 113.545 175.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -128.41 -46.27 1.33 Allowed 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 114.849 1.425 . . . . 1.0 114.849 173.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.51 -10.64 18.8 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 128.547 2.739 . . . . 1.0 115.365 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.01 51.65 2.05 Favored Glycine 0 N--CA 1.483 1.803 0 C-N-CA 126.194 1.854 . . . . 1.0 115.916 171.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.0 mt -142.38 156.3 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.374 1.869 . . . . 1.0 109.998 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -151.11 168.05 25.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.249 1.819 . . . . 1.0 113.658 -171.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -53.49 -25.76 17.77 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.829 1.418 . . . . 1.0 114.829 172.135 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -68.28 -30.65 69.71 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 126.248 1.819 . . . . 1.0 112.508 171.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.88 -52.74 5.79 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.068 2.547 . . . . 1.0 111.039 171.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -54.31 -35.67 62.9 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.981 1.712 . . . . 1.0 113.272 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.716 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.8 pt20 -60.59 -40.43 91.72 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 120.194 1.361 . . . . 1.0 112.836 171.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -70.01 -39.65 75.71 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.593 2.357 . . . . 1.0 112.273 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -66.77 -37.14 84.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.258 1.423 . . . . 1.0 113.987 171.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.58 -17.24 52.02 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.891 2.476 . . . . 1.0 116.44 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.2 17.04 51.27 Favored Glycine 0 CA--C 1.549 2.214 0 CA-C-N 119.8 1.182 . . . . 1.0 113.54 -171.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -126.01 131.7 24.07 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 130.402 3.481 . . . . 1.0 111.592 -171.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.38 79.08 1.17 Allowed 'Trans proline' 0 CA--C 1.549 1.226 0 C-N-CA 123.927 3.085 . . . . 1.0 113.06 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.716 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.7 m -83.83 157.34 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 124.63 1.172 . . . . 1.0 112.438 172.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -140.2 -11.01 1.1 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.203 1.801 . . . . 1.0 114.32 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.7 p -147.83 175.95 10.53 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 129.32 3.048 . . . . 1.0 113.228 -171.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.81 167.96 18.57 Favored Pre-proline 0 N--CA 1.484 1.269 0 C-N-CA 127.467 2.307 . . . . 1.0 111.875 171.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.81 166.13 56.33 Favored 'Cis proline' 0 CA--C 1.549 1.253 0 CA-C-N 119.19 0.746 . . . . 1.0 113.111 -8.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.519 HE22 HG11 ' A' ' 56' ' ' VAL . 90.3 mm-40 -135.01 76.26 1.62 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.266 2.226 . . . . 1.0 110.33 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 27.4 mt -108.4 150.77 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 127.988 2.515 . . . . 1.0 113.924 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -130.23 105.12 7.7 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 128.358 2.663 . . . . 1.0 109.603 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.2 t -90.72 134.49 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.763 1.625 . . . . 1.0 108.919 176.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.259 4.2 m-20 37.11 46.66 0.56 Allowed 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 129.907 3.283 . . . . 1.0 112.353 -171.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.326 1.8 tt0 46.68 51.5 12.15 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 131.011 3.724 . . . . 1.0 115.696 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.77 136.56 27.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 130.914 3.686 . . . . 1.0 108.568 171.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 -60.63 115.21 3.45 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.345 -1.472 . . . . 1.0 114.521 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.7 mm -128.73 97.78 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 128.687 2.795 . . . . 1.0 104.928 171.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -13.41 -61.62 0.01 OUTLIER Glycine 0 N--CA 1.473 1.109 0 C-N-CA 129.046 3.213 . . . . 1.0 116.2 -173.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.18 -149.87 19.51 Favored Glycine 0 C--O 1.224 -0.529 0 C-N-CA 126.813 2.149 . . . . 1.0 108.702 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -35.36 -53.05 0.64 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 125.915 1.686 . . . . 1.0 111.94 -171.752 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.0 t -48.64 -57.64 5.94 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 116.01 1.856 . . . . 1.0 116.01 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -53.6 42.97 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.098 2.559 . . . . 1.0 111.975 172.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.64 -43.61 47.0 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.985 2.914 . . . . 1.0 114.59 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.33 79.37 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.881 2.072 . . . . 1.0 112.802 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.94 97.78 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.819 1.248 . . . . 1.0 112.881 172.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -60.71 -54.32 46.69 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.526 2.33 . . . . 1.0 113.418 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.7 t -52.65 -49.39 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 125.763 1.625 . . . . 1.0 111.416 172.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -50.32 68.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.02 1.728 . . . . 1.0 113.223 172.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.71 -14.43 20.97 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.872 2.069 . . . . 1.0 115.625 171.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -99.74 -59.87 1.64 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 127.203 2.201 . . . . 1.0 113.756 172.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.48 -64.04 1.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.505 2.322 . . . . 1.0 112.979 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.33 6.14 1.46 Allowed 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 127.017 2.127 . . . . 1.0 114.747 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 129.44 3.096 . . . . 1.0 115.369 -178.624 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.109 0 N-CA-C 107.703 -2.159 . . . . 1.0 107.703 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.89 107.61 6.59 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.293 2.237 . . . . 1.0 106.085 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -137.4 119.38 15.37 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.189 1.396 . . . . 1.0 112.152 -172.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -100.17 98.62 9.3 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.858 1.263 . . . . 1.0 110.93 -173.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.59 100.34 11.57 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.901 2.08 . . . . 1.0 111.505 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -107.73 139.97 41.5 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.14 1.776 . . . . 1.0 113.109 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -100.1 117.37 34.21 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.126 2.171 . . . . 1.0 113.172 -171.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -60.51 161.71 7.23 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.539 1.136 . . . . 1.0 111.561 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.61 97.44 5.74 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.509 -1.37 . . . . 1.0 113.611 -173.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 78.9 t -77.38 -39.05 1.97 Allowed Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 128.789 2.836 . . . . 1.0 113.869 171.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.28 77.61 2.03 Favored 'Trans proline' 0 C--N 1.369 1.608 0 C-N-CA 124.535 3.49 . . . . 1.0 114.184 -172.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 34.6 t -91.58 135.64 33.72 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 128.351 2.66 . . . . 1.0 114.982 -172.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 35.8 pt -78.6 -4.33 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 127.72 2.408 . . . . 1.0 115.266 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.27 133.01 46.58 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 128.289 2.635 . . . . 1.0 111.746 171.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.87 97.81 9.28 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-O 123.06 1.409 . . . . 1.0 110.7 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.326 3.6 t70 -165.43 -156.51 0.29 Allowed 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 130.826 3.65 . . . . 1.0 112.86 170.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -56.56 9.17 0.01 OUTLIER Glycine 0 CA--C 1.541 1.714 0 C-N-CA 129.436 3.398 . . . . 1.0 119.795 -173.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 143' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 4.9 m -45.6 125.43 5.87 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.478 1.911 . . . . 1.0 112.522 173.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -96.19 -92.72 0.21 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 129.723 3.209 . . . . 1.0 117.045 -171.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.5 t -48.59 164.41 0.06 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 119.544 3.164 . . . . 1.0 119.544 -170.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -179.46 -7.54 0.02 OUTLIER Glycine 0 CA--C 1.541 1.676 0 C-N-CA 128.572 2.987 . . . . 1.0 116.468 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.23 21.68 2.34 Favored 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 127.11 2.164 . . . . 1.0 115.787 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 13.1 t -74.27 139.16 44.09 Favored 'General case' 0 CA--C 1.551 0.987 1 C-N-CA 132.995 4.518 . . . . 1.0 114.442 -171.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.68 169.83 0.49 Allowed 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 129.522 3.129 . . . . 1.0 114.588 -171.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.498 1.968 0 C-N-CA 129.785 3.234 . . . . 1.0 114.95 172.069 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 2.6 ttm . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 119.547 -0.263 . . . . 1.0 111.344 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -118.55 121.27 39.83 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.246 1.018 . . . . 1.0 110.987 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 97.6 m -120.64 118.65 30.68 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 125.107 1.363 . . . . 1.0 112.69 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 t -111.05 126.83 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.202 1.801 . . . . 1.0 112.394 -172.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.0 mp -116.93 120.45 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 126.751 2.02 . . . . 1.0 112.105 -172.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.447 ' HB3' HG21 ' A' ' 38' ' ' ILE . 78.1 m-85 -96.1 103.16 15.04 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.966 1.706 . . . . 1.0 112.405 -175.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' HA3' HG13 ' A' ' 38' ' ' ILE . . . 67.83 97.17 0.04 OUTLIER Glycine 0 N--CA 1.48 1.63 0 C-N-CA 129.631 3.491 . . . . 1.0 117.946 176.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -70.37 -51.94 26.15 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 120.011 1.905 . . . . 1.0 112.558 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -63.96 133.8 53.87 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 128.016 2.526 . . . . 1.0 115.844 -172.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.47 -9.38 41.56 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 128.431 2.92 . . . . 1.0 116.664 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 11.2 p -155.03 120.77 2.63 Favored Pre-proline 0 CA--C 1.558 1.254 0 C-N-CA 126.714 2.006 . . . . 1.0 116.013 -172.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -67.89 -27.35 37.15 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 124.584 3.523 . . . . 1.0 113.106 -172.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -64.91 -38.44 90.98 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.639 1.109 . . . . 1.0 111.726 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.495 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.4 t -65.69 -47.99 73.57 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.07 1.348 . . . . 1.0 112.016 171.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -53.84 -52.29 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-O 117.75 -1.119 . . . . 1.0 111.344 172.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -62.83 -41.64 99.41 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.783 1.233 . . . . 1.0 111.588 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.524 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -58.79 -46.67 87.03 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.621 1.169 . . . . 1.0 113.145 172.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -61.57 -54.28 45.2 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.348 1.459 . . . . 1.0 112.527 171.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -52.57 -42.64 64.65 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.584 2.754 . . . . 1.0 112.971 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.8 -45.93 91.74 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 126.428 1.891 . . . . 1.0 112.538 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.68 96.9 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.601 1.16 . . . . 1.0 112.448 171.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -56.15 -48.41 76.33 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.534 1.534 . . . . 1.0 111.761 171.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -53.4 -46.71 69.81 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.138 2.575 . . . . 1.0 113.343 172.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.64 -44.35 86.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.564 1.546 . . . . 1.0 113.595 172.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -60.86 -33.92 73.81 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.735 1.152 . . . . 1.0 113.581 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.52 -44.83 81.4 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 127.754 2.422 . . . . 1.0 110.788 170.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -78.5 -31.27 47.61 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 127.172 2.189 . . . . 1.0 114.044 -175.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -122.71 162.16 22.52 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 116.962 2.208 . . . . 1.0 116.962 -171.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -83.02 -38.42 22.63 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 131.199 3.8 . . . . 1.0 114.457 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.19 -22.09 36.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.005 2.122 . . . . 1.0 115.471 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -97.74 110.89 23.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.791 1.636 . . . . 1.0 113.08 -171.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -114.1 130.94 56.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.91 2.484 . . . . 1.0 110.901 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.29 0.0 OUTLIER -111.72 136.66 50.67 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.115 2.566 . . . . 1.0 115.535 -171.585 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -128.97 133.54 47.85 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.661 1.584 . . . . 1.0 110.263 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -113.04 123.48 50.39 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.394 1.477 . . . . 1.0 111.699 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -122.13 113.51 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 126.902 2.081 . . . . 1.0 111.161 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.01 101.29 3.2 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.808 1.41 . . . . 1.0 114.808 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 6' ' ' PHE . 2.2 pp -74.52 -34.67 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 119.643 -1.911 . . . . 1.0 112.281 173.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -78.72 5.12 11.92 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 127.983 2.513 . . . . 1.0 113.019 172.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.26 -32.39 0.86 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 116.238 1.94 . . . . 1.0 116.238 171.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -74.39 -18.32 60.68 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 126.448 1.899 . . . . 1.0 112.285 171.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.17 54.61 1.25 Allowed Glycine 0 N--CA 1.475 1.296 0 C-N-CA 127.632 2.539 . . . . 1.0 114.972 172.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.1 mt -128.85 164.27 31.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 C-N-CA 127.468 2.307 . . . . 1.0 111.681 -172.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.401 ' OG1' ' HE3' ' B' ' 149' ' ' LYS . 2.8 t -149.19 161.41 42.05 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.198 2.599 . . . . 1.0 112.939 -172.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -26.47 23.0 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.482 1.513 . . . . 1.0 113.612 171.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.57 -31.92 72.32 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.419 2.288 . . . . 1.0 112.728 174.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.56 -56.03 4.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.437 2.295 . . . . 1.0 110.553 171.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.4 mt -54.53 -48.44 71.95 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.295 2.238 . . . . 1.0 112.802 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.596 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.7 pt20 -54.57 -40.28 68.6 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.116 1.367 . . . . 1.0 114.192 173.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -72.17 -58.41 3.44 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.505 1.922 . . . . 1.0 111.896 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -51.02 -40.0 57.18 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.395 1.078 . . . . 1.0 113.798 172.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.57 60.6 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 118.067 2.618 . . . . 1.0 118.067 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.02 38.68 24.97 Favored Glycine 0 CA--C 1.544 1.889 0 CA-C-N 120.406 1.457 . . . . 1.0 112.486 -171.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 126.63 11.3 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 128.942 2.897 . . . . 1.0 110.862 -171.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.8 55.93 5.08 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 124.48 3.454 . . . . 1.0 114.839 -172.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG22 ' HB3' ' A' ' 49' ' ' GLN . 2.9 m -69.24 150.14 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.192 0.997 . . . . 1.0 112.533 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -122.76 -32.53 3.53 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.48 1.112 . . . . 1.0 112.263 171.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.9 p -133.24 -179.08 5.28 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.355 1.862 . . . . 1.0 113.742 -174.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.485 HG21 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -89.82 158.51 44.79 Favored Pre-proline 0 N--CA 1.49 1.55 0 C-N-CA 127.15 2.18 . . . . 1.0 112.585 178.212 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.05 168.99 70.68 Favored 'Cis proline' 0 CA--C 1.542 0.888 0 N-CA-C 114.279 0.838 . . . . 1.0 114.279 4.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -139.35 74.97 1.49 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.74 2.016 . . . . 1.0 111.17 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.524 HD12 ' HB1' ' A' ' 17' ' ' ALA . 81.9 mt -99.31 150.81 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 127.911 2.484 . . . . 1.0 114.969 175.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -133.11 109.07 9.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.369 1.868 . . . . 1.0 109.812 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.16 122.31 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 125.101 1.361 . . . . 1.0 109.085 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.637 0.0 OUTLIER 52.8 17.69 0.9 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 130.257 3.423 . . . . 1.0 117.013 -170.963 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 94.56 5.93 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 1 C-N-CA 132.24 4.216 . . . . 1.0 114.894 -174.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -94.14 134.01 37.03 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 126.771 2.028 . . . . 1.0 109.98 172.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -60.74 107.82 0.75 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.841 0.856 . . . . 1.0 111.676 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.5 mm -126.04 83.79 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 128.945 2.898 . . . . 1.0 106.465 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -8.25 -56.57 0.01 OUTLIER Glycine 0 CA--C 1.542 1.736 0 C-N-CA 129.543 3.449 . . . . 1.0 118.601 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.95 -139.08 12.11 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 127.665 2.555 . . . . 1.0 111.157 -172.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.514 ' H ' ' HB2' ' A' ' 17' ' ' ALA . 37.0 t80 -33.63 -35.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 121.324 2.562 . . . . 1.0 115.153 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -62.28 1.48 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 119.894 -1.754 . . . . 1.0 113.527 170.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -62.6 1.33 Allowed 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 131.786 4.034 . . . . 1.0 114.839 177.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -43.72 -43.49 6.0 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 130.202 3.401 . . . . 1.0 112.929 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.32 70.34 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.293 1.037 . . . . 1.0 112.2 171.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.91 83.99 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.491 1.116 . . . . 1.0 112.875 172.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -58.92 -53.94 52.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.542 1.937 . . . . 1.0 113.651 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.98 -52.03 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 127.173 2.189 . . . . 1.0 110.995 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -52.82 -52.35 57.34 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 128.208 2.603 . . . . 1.0 113.132 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -56.27 -16.58 5.68 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.65 1.722 . . . . 1.0 115.65 173.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -100.11 -59.33 1.73 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 128.446 2.698 . . . . 1.0 113.381 171.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.01 -36.14 49.11 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.166 2.187 . . . . 1.0 116.081 -174.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -94.97 -0.11 54.17 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 127.023 2.129 . . . . 1.0 115.25 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.351 0 C-N-CA 130.428 3.491 . . . . 1.0 115.892 -171.686 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.18 0 N-CA-C 107.94 -2.064 . . . . 1.0 107.94 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.23 106.73 6.13 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 105.95 -1.87 . . . . 1.0 105.95 170.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -137.95 124.96 21.37 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.884 1.673 . . . . 1.0 111.931 -175.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.91 139.99 23.04 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.534 0.939 . . . . 1.0 113.534 172.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -132.81 88.15 2.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.687 1.995 . . . . 1.0 111.292 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -114.42 112.4 22.95 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.328 1.232 . . . . 1.0 114.328 -172.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.08 88.24 2.68 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.811 2.044 . . . . 1.0 109.238 171.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.18 110.27 1.34 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.701 2.4 . . . . 1.0 112.133 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 6.1 tt -140.77 129.78 23.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.519 1.527 . . . . 1.0 111.69 -172.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 89.5 t -115.9 -64.75 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.649 0 C-N-CA 125.443 1.497 . . . . 1.0 112.667 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.3 92.65 0.74 Allowed 'Trans proline' 0 CA--C 1.549 1.26 0 C-N-CA 123.581 2.854 . . . . 1.0 109.256 171.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 26.1 p -91.08 107.39 19.17 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 122.786 1.279 . . . . 1.0 113.709 -171.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 4.8 mp -131.14 78.78 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 127.345 2.258 . . . . 1.0 109.498 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -144.37 98.15 3.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.951 2.1 . . . . 1.0 106.907 171.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.99 97.23 3.14 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.807 1.243 . . . . 1.0 107.909 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -145.24 8.54 1.21 Allowed 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 117.394 2.368 . . . . 1.0 117.394 -171.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 129.95 94.8 0.73 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.479 1.514 . . . . 1.0 116.673 172.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 2.6 t -154.7 148.61 25.65 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 116.539 2.052 . . . . 1.0 116.539 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -130.22 102.33 6.17 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 128.574 2.75 . . . . 1.0 111.209 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -161.75 150.96 15.98 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.879 2.072 . . . . 1.0 112.654 171.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 153.77 -13.87 0.58 Allowed Glycine 0 N--CA 1.479 1.546 0 N-CA-C 118.376 2.11 . . . . 1.0 118.376 171.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.43 31.21 14.2 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.343 1.857 . . . . 1.0 115.362 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.25 140.22 46.71 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-O 123.227 1.489 . . . . 1.0 112.497 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' LYS . . . . . 0.401 ' HE3' ' OG1' ' A' ' 44' ' ' THR . 14.1 ptmt 176.74 176.91 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 1 C-N-CA 136.203 5.801 . . . . 1.0 107.588 -171.837 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.502 2.137 0 CA-C-N 120.826 1.648 . . . . 1.0 112.955 171.326 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.607 0.718 . . . . 1.0 109.581 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -112.9 121.95 46.18 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 128.015 2.526 . . . . 1.0 110.829 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m -120.52 118.4 30.14 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.913 1.285 . . . . 1.0 112.899 -172.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 t -115.22 121.78 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 126.495 1.918 . . . . 1.0 110.628 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 mp -107.6 122.18 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.728 2.011 . . . . 1.0 111.499 -171.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -103.02 101.36 11.34 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.022 1.729 . . . . 1.0 114.143 -172.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.54 76.41 0.73 Allowed Glycine 0 N--CA 1.48 1.567 0 C-N-CA 128.662 3.029 . . . . 1.0 117.78 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -67.93 -38.78 83.28 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 127.513 2.325 . . . . 1.0 114.454 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -62.93 -23.29 67.31 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 118.27 2.693 . . . . 1.0 118.27 -171.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.99 -9.37 60.88 Favored Glycine 0 CA--C 1.538 1.531 0 N-CA-C 118.967 2.347 . . . . 1.0 118.967 -171.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.0 p -169.48 146.7 2.95 Favored Pre-proline 0 CA--C 1.558 1.259 0 CA-C-N 120.131 1.965 . . . . 1.0 115.882 -171.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.67 -36.67 40.52 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 123.849 3.033 . . . . 1.0 114.903 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -62.03 -38.79 90.04 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.066 1.303 . . . . 1.0 112.293 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.547 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.5 t -63.97 -45.17 90.3 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.823 1.249 . . . . 1.0 111.892 171.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.61 -52.65 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 117.226 -1.369 . . . . 1.0 111.47 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -64.07 -41.07 97.48 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.837 1.655 . . . . 1.0 111.537 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -60.27 -43.45 96.17 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.231 1.413 . . . . 1.0 112.363 171.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -57.79 11.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.504 1.121 . . . . 1.0 109.917 171.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.52 -37.89 3.81 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.499 2.32 . . . . 1.0 113.856 172.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -64.98 -44.91 87.77 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.738 2.415 . . . . 1.0 112.765 171.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.51 98.75 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.39 1.076 . . . . 1.0 111.253 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -60.89 -46.54 90.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.495 -1.378 . . . . 1.0 111.783 171.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -53.95 -43.95 70.3 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 130.534 3.534 . . . . 1.0 112.271 171.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.63 -49.66 65.53 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 127.743 2.417 . . . . 1.0 113.286 172.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 t -58.66 -34.73 71.56 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 125.013 1.325 . . . . 1.0 113.734 172.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -63.93 -42.89 97.23 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 127.586 2.354 . . . . 1.0 111.734 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -81.34 -26.17 35.8 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 128.073 2.549 . . . . 1.0 115.804 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.0 mtm105 -137.42 149.8 47.18 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 126.563 1.945 . . . . 1.0 115.184 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.33 -31.98 48.96 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.527 1.531 . . . . 1.0 114.504 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -62.21 -22.8 66.22 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 131.18 3.792 . . . . 1.0 116.985 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -97.12 116.87 30.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.312 1.045 . . . . 1.0 112.822 -170.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -121.34 119.27 31.68 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.713 2.405 . . . . 1.0 110.908 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.31 0.1 OUTLIER -109.21 137.1 47.62 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 129.55 3.14 . . . . 1.0 117.659 -171.386 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -129.78 133.56 47.06 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.046 2.138 . . . . 1.0 111.353 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -108.01 124.07 49.62 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.015 1.326 . . . . 1.0 113.301 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.49 118.66 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 128.078 2.551 . . . . 1.0 110.37 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 0.0 OUTLIER -74.55 155.02 38.36 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 119.417 -2.052 . . . . 1.0 114.043 172.301 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -129.43 -51.68 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.407 1.483 . . . . 1.0 110.834 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -36.25 83.2 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.334 1.454 . . . . 1.0 112.349 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.82 -32.11 31.41 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 125.817 1.647 . . . . 1.0 113.957 172.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.78 -9.45 58.79 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 127.682 2.393 . . . . 1.0 116.481 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.79 19.63 39.75 Favored Glycine 0 CA--C 1.548 2.1 0 C-N-CA 125.824 1.678 . . . . 1.0 116.854 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.9 mt -118.71 156.74 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 128.92 2.888 . . . . 1.0 110.462 -173.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -142.74 167.98 20.79 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.935 1.828 . . . . 1.0 115.935 -171.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.57 -36.85 25.12 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.278 1.831 . . . . 1.0 113.305 172.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -63.8 -27.19 69.01 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.94 1.696 . . . . 1.0 113.301 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.34 -38.57 17.32 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.255 2.222 . . . . 1.0 113.253 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -67.34 -52.02 45.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.35 2.26 . . . . 1.0 113.043 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.662 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.5 pt20 -44.43 -38.88 4.33 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 126.912 2.085 . . . . 1.0 114.859 175.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -65.16 -65.31 0.69 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.704 2.402 . . . . 1.0 111.555 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -60.8 -21.65 63.34 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.614 1.965 . . . . 1.0 114.842 172.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.93 -17.23 51.22 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.627 2.371 . . . . 1.0 114.508 171.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.25 -38.06 0.68 Allowed Glycine 0 CA--C 1.542 1.739 0 C-N-CA 127.44 2.447 . . . . 1.0 114.275 -171.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -75.24 122.47 87.4 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 128.725 2.81 . . . . 1.0 111.046 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.75 77.39 0.38 Allowed 'Trans proline' 0 CA--C 1.55 1.321 0 C-N-CA 124.323 3.349 . . . . 1.0 111.474 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.662 HG22 ' HB3' ' A' ' 49' ' ' GLN . 11.3 m -68.36 154.38 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 126.183 1.793 . . . . 1.0 112.412 173.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -130.47 -18.28 3.21 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 126.815 2.046 . . . . 1.0 114.197 175.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.5 p -141.83 -178.64 5.77 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 130.479 3.511 . . . . 1.0 113.248 -173.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.12 167.0 14.39 Favored Pre-proline 0 N--CA 1.496 1.873 0 C-N-CA 126.324 1.85 . . . . 1.0 114.501 172.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.81 165.65 73.18 Favored 'Cis proline' 0 C--N 1.36 1.148 0 N-CA-C 114.73 1.012 . . . . 1.0 114.73 -5.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -136.7 80.55 1.82 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.235 2.614 . . . . 1.0 111.15 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.447 HD12 ' HB1' ' A' ' 17' ' ' ALA . 21.1 mt -111.05 151.69 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 128.561 2.745 . . . . 1.0 113.805 172.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -124.73 112.94 17.33 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.655 2.382 . . . . 1.0 109.324 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.423 HG23 ' HB ' ' A' ' 69' ' ' ILE . 17.0 t -107.86 127.81 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 125.908 1.683 . . . . 1.0 109.13 175.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 55.09 66.05 1.34 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 131.183 3.793 . . . . 1.0 110.01 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 57.22 3.32 0.15 Allowed 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 128.596 2.759 . . . . 1.0 116.771 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.88 159.82 40.97 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.795 2.038 . . . . 1.0 113.793 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.23 125.69 24.66 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.984 1.846 . . . . 1.0 115.984 -172.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.423 ' HB ' HG23 ' A' ' 64' ' ' VAL . 47.5 mm -140.53 97.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 129.756 3.223 . . . . 1.0 103.781 171.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -14.71 -59.01 0.01 OUTLIER Glycine 0 N--CA 1.476 1.348 0 C-N-CA 129.141 3.258 . . . . 1.0 117.659 -171.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.48 -147.87 19.17 Favored Glycine 0 C--O 1.221 -0.659 0 C-N-CA 126.421 1.962 . . . . 1.0 109.94 -172.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.512 ' CZ ' ' HB2' ' B' ' 140' ' ' ASP . 1.7 t80 -34.16 -50.13 0.39 Allowed 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 127.781 2.432 . . . . 1.0 111.994 -173.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -60.18 3.66 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 128.786 2.835 . . . . 1.0 115.322 170.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -51.43 43.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.088 2.155 . . . . 1.0 111.402 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -54.79 19.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.286 2.234 . . . . 1.0 114.194 172.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.19 -49.48 71.8 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.135 0.974 . . . . 1.0 112.249 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.72 95.73 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.375 1.07 . . . . 1.0 113.426 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -60.78 -53.11 61.42 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.191 2.196 . . . . 1.0 112.763 176.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.9 t -56.58 -51.09 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 126.419 1.888 . . . . 1.0 111.137 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -55.07 -54.99 36.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.731 2.012 . . . . 1.0 112.942 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -13.05 1.58 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.67 2.388 . . . . 1.0 115.208 173.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -98.68 -59.9 1.65 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.166 2.186 . . . . 1.0 111.931 171.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.6 mt -78.37 -62.78 1.57 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.98 2.112 . . . . 1.0 113.427 -172.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.55 0.71 7.88 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 128.957 2.903 . . . . 1.0 114.805 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 C-N-CA 130.093 3.357 . . . . 1.0 113.662 -172.865 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.194 0 N-CA-C 108.919 -1.673 . . . . 1.0 108.919 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.38 107.61 8.19 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.054 1.742 . . . . 1.0 107.026 171.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -137.77 150.85 47.58 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.95 2.1 . . . . 1.0 111.189 -176.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -132.84 101.32 5.21 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 123.542 1.639 . . . . 1.0 114.482 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -139.9 87.58 2.17 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.96 2.104 . . . . 1.0 107.046 171.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.64 97.81 5.15 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.795 2.038 . . . . 1.0 107.284 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -106.75 87.82 2.61 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 123.047 1.403 . . . . 1.0 109.443 -172.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -57.96 110.11 0.86 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.954 2.102 . . . . 1.0 110.579 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.64 HD13 ' H ' ' B' ' 134' ' ' LEU . 0.0 OUTLIER -65.93 97.05 0.33 Allowed 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 121.747 0.784 . . . . 1.0 110.106 177.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . 0.302 14.5 p -87.38 -28.9 0.38 Allowed Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 127.101 2.16 . . . . 1.0 115.076 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -86.28 132.98 3.85 Favored 'Trans proline' 0 CA--C 1.548 1.212 0 C-N-CA 124.059 3.172 . . . . 1.0 108.121 170.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 59.8 p -91.08 107.25 19.08 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 123.442 1.591 . . . . 1.0 114.03 -171.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 46.5 pt -120.56 -4.35 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 130.543 3.537 . . . . 1.0 113.4 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -130.69 120.0 23.23 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 130.516 3.526 . . . . 1.0 108.406 173.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' ASP . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 7.0 p-10 -135.33 97.96 3.84 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.711 1.004 . . . . 1.0 113.711 171.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -163.12 -148.14 0.13 Allowed 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 129.095 2.958 . . . . 1.0 109.475 171.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -53.06 -6.73 0.39 Allowed Glycine 0 CA--C 1.549 2.16 0 N-CA-C 118.969 2.347 . . . . 1.0 118.969 -176.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.1 t -64.76 127.79 33.03 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.742 2.417 . . . . 1.0 114.331 172.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.36 86.15 2.33 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 126.169 1.787 . . . . 1.0 110.832 172.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -136.2 151.0 49.25 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.518 1.927 . . . . 1.0 112.972 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 161.43 -4.15 0.08 OUTLIER Glycine 0 CA--C 1.538 1.478 0 C-N-CA 126.312 1.911 . . . . 1.0 117.23 171.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.02 18.25 1.63 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 128.34 2.656 . . . . 1.0 116.223 172.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.39 112.92 17.1 Favored 'General case' 0 CA--C 1.544 0.733 1 C-N-CA 132.316 4.246 . . . . 1.0 113.686 -171.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt 177.27 166.59 0.59 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 129.443 3.097 . . . . 1.0 112.332 -171.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.495 1.8 0 C-N-CA 128.356 2.662 . . . . 1.0 116.814 -175.3 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ttm . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.72 -0.181 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.36 124.11 51.75 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.029 1.332 . . . . 1.0 112.027 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.9 m -121.03 122.87 41.04 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 126.846 2.059 . . . . 1.0 111.953 -176.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.1 t -114.71 131.99 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 C-N-CA 126.8 2.04 . . . . 1.0 111.137 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mt -119.95 132.96 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.718 2.007 . . . . 1.0 111.577 -169.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -112.42 116.19 29.91 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.366 1.466 . . . . 1.0 113.855 -176.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.8 72.61 0.81 Allowed Glycine 0 N--CA 1.482 1.717 0 N-CA-C 120.457 2.943 . . . . 1.0 120.457 169.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -63.03 -38.47 91.32 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 126.298 1.839 . . . . 1.0 115.069 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -70.78 117.45 12.31 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.408 2.683 . . . . 1.0 115.057 -171.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.83 -7.11 17.51 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 119.267 2.467 . . . . 1.0 119.267 170.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -157.41 146.49 14.86 Favored Pre-proline 0 CA--C 1.556 1.206 0 CA-C-N 120.541 2.17 . . . . 1.0 115.426 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.72 -41.59 7.99 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 123.631 2.887 . . . . 1.0 114.544 -171.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.5 -37.94 85.5 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.119 0.968 . . . . 1.0 113.448 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -66.67 -38.72 87.4 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.591 1.156 . . . . 1.0 113.935 172.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.6 -54.09 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-O 118.137 -0.935 . . . . 1.0 110.83 170.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -55.47 -44.25 76.26 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.462 1.105 . . . . 1.0 111.495 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.0 69.7 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.225 1.41 . . . . 1.0 114.585 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -52.2 65.73 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.416 1.486 . . . . 1.0 113.058 174.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.82 -36.16 71.86 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.851 1.66 . . . . 1.0 114.463 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mp -62.15 -43.19 99.37 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.109 1.763 . . . . 1.0 113.747 169.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.03 99.22 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.428 1.091 . . . . 1.0 112.668 170.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -60.34 -44.38 95.58 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.158 1.383 . . . . 1.0 113.268 170.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -53.49 -55.61 23.93 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 128.337 2.655 . . . . 1.0 111.343 169.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.5 mt -53.36 -48.15 68.8 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 126.593 1.957 . . . . 1.0 113.482 171.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 t -62.9 -41.04 99.29 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.677 1.591 . . . . 1.0 114.674 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -40.81 95.69 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.684 1.594 . . . . 1.0 112.257 170.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -71.64 -29.26 64.44 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.596 2.359 . . . . 1.0 115.091 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -130.72 160.46 34.26 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 120.872 1.669 . . . . 1.0 115.079 -170.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -76.15 -40.7 52.02 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.505 2.322 . . . . 1.0 114.636 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -85.67 -15.02 43.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.182 2.193 . . . . 1.0 116.649 -170.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -96.32 97.05 9.17 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.429 1.892 . . . . 1.0 114.609 -168.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.61 129.11 44.07 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.794 1.637 . . . . 1.0 109.089 175.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.272 0.0 OUTLIER -110.03 139.14 45.46 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 115.18 1.548 . . . . 1.0 115.18 -177.061 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -126.45 140.47 52.45 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 128.394 2.678 . . . . 1.0 109.94 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -128.5 125.64 38.82 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.954 2.102 . . . . 1.0 112.791 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -120.92 114.61 44.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 129.177 2.991 . . . . 1.0 111.67 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.492 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.289 0.0 OUTLIER -69.93 86.66 0.53 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.839 2.456 . . . . 1.0 117.478 174.516 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.27 -35.71 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 119.82 -1.8 . . . . 1.0 112.784 174.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -77.56 5.93 8.12 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 127.349 2.26 . . . . 1.0 115.126 172.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -126.14 -47.36 1.62 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.594 1.558 . . . . 1.0 112.113 169.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.91 -15.79 34.87 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 127.916 2.486 . . . . 1.0 115.124 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.03 53.03 2.93 Favored Glycine 0 N--CA 1.484 1.835 0 C-N-CA 127.344 2.402 . . . . 1.0 115.478 170.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.1 mt -138.85 162.14 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 127.683 2.393 . . . . 1.0 113.472 -169.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -154.21 169.07 24.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 128.152 2.581 . . . . 1.0 114.137 -173.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -30.31 21.15 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 127.5 2.32 . . . . 1.0 115.781 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -68.05 -39.34 83.05 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 127.29 2.236 . . . . 1.0 111.176 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.49 -50.52 21.08 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.903 2.481 . . . . 1.0 112.131 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 mt -57.37 -47.07 82.62 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.031 1.732 . . . . 1.0 113.057 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.612 ' HB3' HG22 ' A' ' 56' ' ' VAL . 7.4 pt20 -56.07 -27.97 55.66 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.086 1.513 . . . . 1.0 115.086 171.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -80.91 -58.62 3.0 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.995 1.718 . . . . 1.0 111.757 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -57.52 -34.51 69.19 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.286 1.434 . . . . 1.0 114.435 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.5 76.18 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 117.15 2.278 . . . . 1.0 117.15 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.0 16.63 66.69 Favored Glycine 0 CA--C 1.552 2.364 0 C-N-CA 124.584 1.087 . . . . 1.0 114.761 -169.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -126.8 126.81 24.5 Favored Pre-proline 0 N--CA 1.482 1.144 0 C-N-CA 130.84 3.656 . . . . 1.0 108.725 175.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.64 131.12 23.6 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 123.031 2.487 . . . . 1.0 111.223 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.612 HG22 ' HB3' ' A' ' 49' ' ' GLN . 4.3 m -128.77 166.43 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.251 1.82 . . . . 1.0 112.255 175.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -122.11 -48.81 2.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.681 1.192 . . . . 1.0 113.361 171.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 -175.27 3.87 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.6 2.76 . . . . 1.0 111.772 -171.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.77 158.89 70.12 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 119.984 -1.697 . . . . 1.0 111.201 171.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.77 170.56 70.11 Favored 'Cis proline' 0 CA--C 1.546 1.109 0 N-CA-C 114.984 1.109 . . . . 1.0 114.984 6.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -145.91 85.46 1.69 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.108 2.163 . . . . 1.0 110.358 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.2 mt -115.75 133.47 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 126.436 1.894 . . . . 1.0 113.392 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -110.05 97.41 6.91 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.833 2.053 . . . . 1.0 110.651 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 t -81.87 143.7 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 C-N-CA 124.807 1.243 . . . . 1.0 108.989 170.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 49.73 17.09 0.24 Allowed 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 116.583 2.068 . . . . 1.0 116.583 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.263 0.0 OUTLIER 72.76 12.14 5.34 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 130.535 3.534 . . . . 1.0 114.992 -169.48 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -91.77 141.29 28.83 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.516 3.126 . . . . 1.0 110.574 170.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -70.66 106.39 3.5 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.818 -1.176 . . . . 1.0 113.808 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.5 mm -99.12 168.79 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 C-N-CA 127.626 2.37 . . . . 1.0 107.599 168.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.17 -69.49 1.36 Allowed Glycine 0 CA--C 1.542 1.734 0 O-C-N 118.789 -2.444 . . . . 1.0 113.157 170.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.426 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 128.45 -137.78 9.91 Favored Glycine 0 N--CA 1.473 1.152 0 C-N-CA 128.388 2.899 . . . . 1.0 109.919 -169.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -30.7 -52.73 0.17 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 127.192 2.197 . . . . 1.0 116.138 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -64.02 0.95 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 126.754 2.022 . . . . 1.0 114.018 170.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.426 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.8 OUTLIER -65.05 -56.9 10.39 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 130.018 3.327 . . . . 1.0 111.035 -178.482 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -35.49 24.42 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 128.037 2.535 . . . . 1.0 114.976 177.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.87 -52.46 56.45 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.267 1.027 . . . . 1.0 112.631 170.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.24 97.45 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.216 1.406 . . . . 1.0 113.433 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -52.98 -50.38 64.25 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.221 2.608 . . . . 1.0 113.793 171.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 63.8 t -60.01 -51.27 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.62 1.168 . . . . 1.0 112.137 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -53.71 -51.65 62.59 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 126.969 2.108 . . . . 1.0 113.452 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -56.37 -13.09 1.96 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 129.176 2.991 . . . . 1.0 114.86 170.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -103.06 -45.07 5.04 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.659 2.384 . . . . 1.0 116.622 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.11 -30.85 13.84 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.538 2.051 . . . . 1.0 116.538 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -107.92 2.46 23.38 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 128.004 2.522 . . . . 1.0 115.58 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.29 0 C-N-CA 130.346 3.458 . . . . 1.0 115.713 178.486 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 N-CA-C 108.507 -1.837 . . . . 1.0 108.507 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.29 103.17 5.02 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 107.297 -1.371 . . . . 1.0 107.297 168.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.51 163.09 33.86 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.586 1.954 . . . . 1.0 115.249 -174.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -139.64 102.1 4.37 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.948 2.099 . . . . 1.0 112.418 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -97.69 91.9 5.62 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 126.623 1.969 . . . . 1.0 112.554 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -129.95 142.32 50.66 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.698 1.599 . . . . 1.0 114.442 172.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -126.53 101.61 6.74 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 127.485 2.314 . . . . 1.0 111.457 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -89.73 106.18 18.29 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 120.48 -1.387 . . . . 1.0 112.642 -178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -151.22 99.29 2.65 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.624 1.969 . . . . 1.0 113.87 171.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 72.7 t -56.18 -52.8 69.99 Favored Pre-proline 0 N--CA 1.49 1.531 0 C-N-CA 125.147 1.379 . . . . 1.0 110.642 169.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -80.12 92.4 1.1 Allowed 'Trans proline' 0 CA--C 1.554 1.509 0 C-N-CA 123.453 2.769 . . . . 1.0 109.419 168.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 76.6 p -89.51 105.5 17.84 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 122.32 1.057 . . . . 1.0 111.714 -176.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.81 85.79 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.444 1.897 . . . . 1.0 109.451 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -170.06 97.66 0.28 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 128.883 2.873 . . . . 1.0 108.264 169.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -136.18 94.43 3.03 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.729 1.212 . . . . 1.0 109.792 -176.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -162.95 141.67 8.5 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 115.937 1.829 . . . . 1.0 115.937 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 51.52 -2.2 0.01 OUTLIER Glycine 0 CA--C 1.551 2.315 0 N-CA-C 123.088 3.995 . . . . 1.0 123.088 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.1 t -95.45 135.23 37.35 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 117.699 2.481 . . . . 1.0 117.699 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -113.59 93.14 4.25 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 127.951 2.501 . . . . 1.0 111.278 170.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.54 159.58 43.59 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.204 1.402 . . . . 1.0 114.267 170.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 152.92 -14.39 0.67 Allowed Glycine 0 N--CA 1.476 1.361 0 N-CA-C 118.781 2.272 . . . . 1.0 118.781 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 51.27 26.46 3.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 116.431 2.011 . . . . 1.0 116.431 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.53 110.28 5.32 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 126.565 1.946 . . . . 1.0 109.156 175.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -179.48 143.43 0.19 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 129.47 3.108 . . . . 1.0 112.05 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.386 9.1 tp . . . . . 0 N--CA 1.479 1.009 1 C-N-CA 132.157 4.183 . . . . 1.0 117.882 171.648 . . . . . . . . 2 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -118.77 116.09 25.82 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.921 1.288 . . . . 1.0 111.156 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -117.38 116.2 26.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.489 1.516 . . . . 1.0 112.657 -169.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.97 131.8 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 126.327 1.851 . . . . 1.0 110.996 -173.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.44 118.82 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.145 2.178 . . . . 1.0 112.179 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -98.97 94.72 6.7 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.327 1.851 . . . . 1.0 113.308 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.31 77.89 0.99 Allowed Glycine 0 CA--C 1.545 1.946 0 C-N-CA 127.626 2.536 . . . . 1.0 118.804 169.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -68.2 -48.74 64.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 127.365 2.266 . . . . 1.0 114.266 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -61.25 143.31 55.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.781 1.633 . . . . 1.0 112.326 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.62 -7.07 9.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 128.067 2.746 . . . . 1.0 119.58 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -134.95 113.31 11.56 Favored Pre-proline 0 CA--C 1.562 1.406 0 CA-C-N 121.27 2.535 . . . . 1.0 115.484 172.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -62.57 -33.44 78.14 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 125.269 3.979 . . . . 1.0 115.725 -170.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.02 -36.73 77.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.851 0.86 . . . . 1.0 111.851 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -65.19 -38.59 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.027 2.131 . . . . 1.0 113.689 170.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.82 -54.15 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.856 1.262 . . . . 1.0 112.009 172.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -55.13 -43.92 74.57 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.221 0.918 . . . . 1.0 110.925 174.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.35 77.94 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 114.528 1.307 . . . . 1.0 114.528 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.79 -58.0 10.29 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.292 1.837 . . . . 1.0 112.452 171.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -35.6 71.73 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.81 1.644 . . . . 1.0 114.844 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.54 -43.06 99.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.432 1.493 . . . . 1.0 112.752 168.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.53 97.27 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.986 -1.072 . . . . 1.0 112.199 169.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -60.53 -43.79 96.79 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 1.0 113.774 170.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -51.68 -55.6 18.54 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 128.204 2.601 . . . . 1.0 110.616 170.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.13 -43.81 98.31 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.912 1.685 . . . . 1.0 112.968 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -59.72 -47.33 86.07 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.786 1.635 . . . . 1.0 113.883 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -57.77 -41.3 81.74 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.584 1.954 . . . . 1.0 112.143 169.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.13 -35.47 48.99 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.218 2.607 . . . . 1.0 114.768 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -121.12 173.13 7.48 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 127.229 2.212 . . . . 1.0 115.685 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -92.17 -40.61 10.91 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 128.988 2.915 . . . . 1.0 115.366 -176.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.33 -11.78 48.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.283 2.633 . . . . 1.0 116.908 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -95.75 109.11 21.47 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.028 1.331 . . . . 1.0 114.589 -168.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -123.19 134.42 54.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.907 2.883 . . . . 1.0 112.022 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.279 0.1 OUTLIER -112.52 141.03 46.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.827 2.851 . . . . 1.0 114.534 -172.411 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -126.39 132.18 51.59 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.331 1.852 . . . . 1.0 108.859 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -124.14 125.34 44.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.943 1.697 . . . . 1.0 112.672 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -130.19 113.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 127.632 2.373 . . . . 1.0 111.168 -175.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.567 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -68.01 99.66 0.89 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.888 1.81 . . . . 1.0 115.888 173.624 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.96 -39.11 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 119.409 -2.057 . . . . 1.0 112.527 174.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -69.18 -10.56 58.3 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 127.3 2.24 . . . . 1.0 115.282 171.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -116.68 -44.82 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 119.95 1.25 . . . . 1.0 113.261 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -35.48 78.35 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.349 1.86 . . . . 1.0 113.047 170.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.72 46.73 1.02 Allowed Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.597 2.522 . . . . 1.0 115.723 171.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -124.57 159.34 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 129.213 3.005 . . . . 1.0 110.785 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 163.61 36.55 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.592 1.557 . . . . 1.0 114.543 -171.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -17.87 24.09 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 116.267 1.951 . . . . 1.0 116.267 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.41 -30.73 63.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.22 2.608 . . . . 1.0 112.323 171.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -86.36 -48.32 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.253 2.621 . . . . 1.0 112.861 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -55.05 -38.28 67.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.913 1.285 . . . . 1.0 113.797 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -62.84 -12.36 24.16 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 126.816 2.046 . . . . 1.0 115.39 170.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -101.12 -50.79 3.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 128.758 2.823 . . . . 1.0 110.574 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -50.92 -43.24 59.92 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 126.665 1.986 . . . . 1.0 114.197 171.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.05 60.45 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.186 2.194 . . . . 1.0 116.434 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.46 48.39 11.74 Favored Glycine 0 N--CA 1.479 1.544 0 C-N-CA 125.186 1.374 . . . . 1.0 110.58 -168.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 132.61 8.0 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.811 1.644 . . . . 1.0 113.23 -168.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.75 92.01 0.51 Allowed 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 123.592 2.861 . . . . 1.0 110.918 172.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.26 159.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 127.388 2.275 . . . . 1.0 110.589 172.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -132.67 -26.49 1.79 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.512 1.125 . . . . 1.0 112.815 169.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 p -123.12 178.12 5.24 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 127.963 2.505 . . . . 1.0 113.408 -172.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.08 161.16 32.01 Favored Pre-proline 0 N--CA 1.486 1.341 0 C-N-CA 127.372 2.269 . . . . 1.0 111.426 170.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.61 165.79 82.43 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 N-CA-C 115.087 1.149 . . . . 1.0 115.087 1.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -138.41 81.19 1.84 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.79 2.436 . . . . 1.0 110.912 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.7 mt -113.63 151.98 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 127.833 2.453 . . . . 1.0 113.405 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -133.48 104.73 6.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.029 2.132 . . . . 1.0 109.471 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -89.06 124.6 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 126.115 1.766 . . . . 1.0 109.589 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.447 0.0 OUTLIER 40.94 45.7 2.25 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 127.639 2.375 . . . . 1.0 113.023 -170.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 71.32 4.21 4.97 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 130.23 3.412 . . . . 1.0 117.688 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.13 132.25 43.1 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 127.765 2.426 . . . . 1.0 111.131 173.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.26 107.26 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.029 -1.044 . . . . 1.0 113.171 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.8 mm -122.44 89.52 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 128.103 2.561 . . . . 1.0 105.484 169.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.18 -55.75 0.01 OUTLIER Glycine 0 CA--C 1.539 1.567 0 C-N-CA 129.247 3.308 . . . . 1.0 118.212 -170.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.31 -144.15 15.69 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.791 2.615 . . . . 1.0 111.517 -175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -30.39 -43.32 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 128.378 2.671 . . . . 1.0 116.097 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 t -64.66 -63.8 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.815 2.046 . . . . 1.0 115.13 169.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -55.13 36.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.751 2.82 . . . . 1.0 114.192 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -51.72 -39.95 59.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 129.631 3.172 . . . . 1.0 113.389 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.38 67.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.176 1.39 . . . . 1.0 113.117 171.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.04 90.59 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.735 1.214 . . . . 1.0 112.346 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -56.06 -54.37 45.83 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.569 1.947 . . . . 1.0 113.44 173.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.17 -46.7 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.214 1.006 . . . . 1.0 112.544 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -58.45 -52.02 67.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.914 1.285 . . . . 1.0 113.134 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.84 -12.09 9.83 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.461 1.652 . . . . 1.0 115.461 171.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -97.74 -52.96 3.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.87 1.668 . . . . 1.0 111.782 171.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.1 mt -85.98 -30.07 23.03 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.359 1.985 . . . . 1.0 116.359 -172.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.62 6.85 42.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 126.649 1.98 . . . . 1.0 114.26 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 126.981 2.112 . . . . 1.0 113.574 173.818 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 108.473 -1.851 . . . . 1.0 108.473 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -141.16 102.27 4.2 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.835 1.318 . . . . 1.0 109.733 167.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -141.77 116.48 9.75 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.991 3.716 . . . . 1.0 105.653 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.42 144.04 22.59 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 119.08 2.993 . . . . 1.0 119.08 -169.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -137.56 95.12 3.01 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 129.565 3.146 . . . . 1.0 110.046 173.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 101.82 11.48 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.899 2.08 . . . . 1.0 109.692 -176.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -100.7 85.71 2.97 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.687 1.995 . . . . 1.0 114.399 -168.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.91 121.06 20.37 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 125.639 1.576 . . . . 1.0 112.56 171.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -148.03 96.81 2.7 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.183 1.793 . . . . 1.0 112.977 171.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 66.8 t -56.01 -48.43 96.76 Favored Pre-proline 0 N--CA 1.497 1.923 0 C-N-CA 125.1 1.36 . . . . 1.0 111.633 171.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -84.22 87.35 1.16 Allowed 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.293 2.662 . . . . 1.0 108.907 168.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 85.0 p -88.37 103.29 15.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 124.459 2.076 . . . . 1.0 110.414 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 1.1 mp -140.06 120.14 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 113.149 -1.841 . . . . 1.0 113.745 -168.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -166.99 96.0 0.5 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 131.071 3.748 . . . . 1.0 104.859 166.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -129.67 93.68 3.58 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 105.005 -2.22 . . . . 1.0 105.005 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -161.22 -1.01 0.05 Allowed 'General case' 0 CA--C 1.56 1.331 0 N-CA-C 115.221 1.563 . . . . 1.0 115.221 -169.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.21 93.46 1.03 Allowed Glycine 0 N--CA 1.48 1.578 0 C-N-CA 126.796 2.141 . . . . 1.0 112.306 -171.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.3 t -163.48 112.68 1.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 127.354 2.261 . . . . 1.0 111.357 -170.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -126.12 129.89 49.96 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 126.574 1.95 . . . . 1.0 114.059 -172.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 167.52 1.17 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 127.652 2.381 . . . . 1.0 115.453 170.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.94 -13.85 3.34 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 119.864 2.706 . . . . 1.0 119.864 168.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.19 34.89 9.26 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.679 1.74 . . . . 1.0 114.584 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 144.04 51.87 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 126.725 2.01 . . . . 1.0 115.197 -168.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 172.61 0.98 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 130.712 3.605 . . . . 1.0 112.195 -171.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.495 1.799 0 C-N-CA 128.466 2.706 . . . . 1.0 114.147 171.487 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -118.77 116.09 25.82 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.921 1.288 . . . . 1.0 111.156 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -117.38 116.2 26.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.489 1.516 . . . . 1.0 112.657 -169.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.97 131.8 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 126.327 1.851 . . . . 1.0 110.996 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.44 118.82 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.145 2.178 . . . . 1.0 112.179 -169.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -98.97 94.72 6.7 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.327 1.851 . . . . 1.0 113.308 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.31 77.89 0.99 Allowed Glycine 0 CA--C 1.545 1.946 0 C-N-CA 127.626 2.536 . . . . 1.0 118.804 169.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -68.2 -48.74 64.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 127.365 2.266 . . . . 1.0 114.266 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -61.25 143.31 55.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.781 1.633 . . . . 1.0 112.326 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.62 -7.07 9.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 128.067 2.746 . . . . 1.0 119.58 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -134.95 113.31 11.56 Favored Pre-proline 0 CA--C 1.562 1.406 0 CA-C-N 121.27 2.535 . . . . 1.0 115.484 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -62.57 -33.44 78.14 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 125.269 3.979 . . . . 1.0 115.725 -170.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.02 -36.73 77.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.851 0.86 . . . . 1.0 111.851 174.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -65.19 -38.59 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.027 2.131 . . . . 1.0 113.689 170.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.82 -54.15 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.856 1.262 . . . . 1.0 112.009 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -55.13 -43.92 74.57 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.221 0.918 . . . . 1.0 110.925 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.35 77.94 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 114.528 1.307 . . . . 1.0 114.528 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.79 -58.0 10.29 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.292 1.837 . . . . 1.0 112.452 171.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -35.6 71.73 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.81 1.644 . . . . 1.0 114.844 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.54 -43.06 99.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.432 1.493 . . . . 1.0 112.752 168.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.53 97.27 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.986 -1.072 . . . . 1.0 112.199 169.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -60.53 -43.79 96.79 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 1.0 113.774 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -51.68 -55.6 18.54 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 128.204 2.601 . . . . 1.0 110.616 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.13 -43.81 98.31 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.912 1.685 . . . . 1.0 112.968 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -59.72 -47.33 86.07 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.786 1.635 . . . . 1.0 113.883 174.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -57.77 -41.3 81.74 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.584 1.954 . . . . 1.0 112.143 169.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.13 -35.47 48.99 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.218 2.607 . . . . 1.0 114.768 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -121.12 173.13 7.48 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 127.229 2.212 . . . . 1.0 115.685 -170.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -92.17 -40.61 10.91 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 128.988 2.915 . . . . 1.0 115.366 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.33 -11.78 48.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.283 2.633 . . . . 1.0 116.908 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -95.75 109.11 21.47 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.028 1.331 . . . . 1.0 114.589 -168.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -123.19 134.42 54.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.907 2.883 . . . . 1.0 112.022 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.279 0.1 OUTLIER -112.52 141.03 46.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.827 2.851 . . . . 1.0 114.534 -172.411 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -126.39 132.18 51.59 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.331 1.852 . . . . 1.0 108.859 172.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -124.14 125.34 44.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.943 1.697 . . . . 1.0 112.672 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -130.19 113.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 127.632 2.373 . . . . 1.0 111.168 -175.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.567 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -68.01 99.66 0.89 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.888 1.81 . . . . 1.0 115.888 173.624 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.96 -39.11 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 119.409 -2.057 . . . . 1.0 112.527 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -69.18 -10.56 58.3 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 127.3 2.24 . . . . 1.0 115.282 171.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -116.68 -44.82 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 119.95 1.25 . . . . 1.0 113.261 177.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -35.48 78.35 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.349 1.86 . . . . 1.0 113.047 170.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.72 46.73 1.02 Allowed Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.597 2.522 . . . . 1.0 115.723 171.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -124.57 159.34 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 129.213 3.005 . . . . 1.0 110.785 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 163.61 36.55 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.592 1.557 . . . . 1.0 114.543 -171.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -17.87 24.09 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 116.267 1.951 . . . . 1.0 116.267 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.41 -30.73 63.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.22 2.608 . . . . 1.0 112.323 171.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -86.36 -48.32 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.253 2.621 . . . . 1.0 112.861 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -55.05 -38.28 67.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.913 1.285 . . . . 1.0 113.797 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -62.84 -12.36 24.16 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 126.816 2.046 . . . . 1.0 115.39 170.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -101.12 -50.79 3.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 128.758 2.823 . . . . 1.0 110.574 173.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -50.92 -43.24 59.92 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 126.665 1.986 . . . . 1.0 114.197 171.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.05 60.45 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.186 2.194 . . . . 1.0 116.434 172.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.46 48.39 11.74 Favored Glycine 0 N--CA 1.479 1.544 0 C-N-CA 125.186 1.374 . . . . 1.0 110.58 -168.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 132.61 8.0 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.811 1.644 . . . . 1.0 113.23 -168.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.75 92.01 0.51 Allowed 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 123.592 2.861 . . . . 1.0 110.918 172.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.26 159.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 127.388 2.275 . . . . 1.0 110.589 172.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -132.67 -26.49 1.79 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.512 1.125 . . . . 1.0 112.815 169.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 p -123.12 178.12 5.24 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 127.963 2.505 . . . . 1.0 113.408 -172.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.08 161.16 32.01 Favored Pre-proline 0 N--CA 1.486 1.341 0 C-N-CA 127.372 2.269 . . . . 1.0 111.426 170.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.61 165.79 82.43 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 N-CA-C 115.087 1.149 . . . . 1.0 115.087 1.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -138.41 81.19 1.84 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.79 2.436 . . . . 1.0 110.912 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.7 mt -113.63 151.98 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 127.833 2.453 . . . . 1.0 113.405 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -133.48 104.73 6.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.029 2.132 . . . . 1.0 109.471 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -89.06 124.6 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 126.115 1.766 . . . . 1.0 109.589 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.447 0.0 OUTLIER 40.94 45.7 2.25 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 127.639 2.375 . . . . 1.0 113.023 -170.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 71.32 4.21 4.97 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 130.23 3.412 . . . . 1.0 117.688 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.13 132.25 43.1 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 127.765 2.426 . . . . 1.0 111.131 173.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.26 107.26 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.029 -1.044 . . . . 1.0 113.171 175.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.8 mm -122.44 89.52 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 128.103 2.561 . . . . 1.0 105.484 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.18 -55.75 0.01 OUTLIER Glycine 0 CA--C 1.539 1.567 0 C-N-CA 129.247 3.308 . . . . 1.0 118.212 -170.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.31 -144.15 15.69 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.791 2.615 . . . . 1.0 111.517 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -30.39 -43.32 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 128.378 2.671 . . . . 1.0 116.097 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 t -64.66 -63.8 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.815 2.046 . . . . 1.0 115.13 169.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -55.13 36.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.751 2.82 . . . . 1.0 114.192 176.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -51.72 -39.95 59.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 129.631 3.172 . . . . 1.0 113.389 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.38 67.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.176 1.39 . . . . 1.0 113.117 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.04 90.59 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.735 1.214 . . . . 1.0 112.346 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -56.06 -54.37 45.83 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.569 1.947 . . . . 1.0 113.44 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.17 -46.7 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.214 1.006 . . . . 1.0 112.544 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -58.45 -52.02 67.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.914 1.285 . . . . 1.0 113.134 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.84 -12.09 9.83 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.461 1.652 . . . . 1.0 115.461 171.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -97.74 -52.96 3.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.87 1.668 . . . . 1.0 111.782 171.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.1 mt -85.98 -30.07 23.03 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.359 1.985 . . . . 1.0 116.359 -172.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.62 6.85 42.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 126.649 1.98 . . . . 1.0 114.26 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 126.981 2.112 . . . . 1.0 113.574 173.818 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 108.473 -1.851 . . . . 1.0 108.473 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -141.16 102.27 4.2 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.835 1.318 . . . . 1.0 109.733 167.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -141.77 116.48 9.75 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.991 3.716 . . . . 1.0 105.653 169.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.42 144.04 22.59 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 119.08 2.993 . . . . 1.0 119.08 -169.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -137.56 95.12 3.01 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 129.565 3.146 . . . . 1.0 110.046 173.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 101.82 11.48 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.899 2.08 . . . . 1.0 109.692 -176.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -100.7 85.71 2.97 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.687 1.995 . . . . 1.0 114.399 -168.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.91 121.06 20.37 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 125.639 1.576 . . . . 1.0 112.56 171.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -148.03 96.81 2.7 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.183 1.793 . . . . 1.0 112.977 171.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 66.8 t -56.01 -48.43 96.76 Favored Pre-proline 0 N--CA 1.497 1.923 0 C-N-CA 125.1 1.36 . . . . 1.0 111.633 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -84.22 87.35 1.16 Allowed 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.293 2.662 . . . . 1.0 108.907 168.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 85.0 p -88.37 103.29 15.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 124.459 2.076 . . . . 1.0 110.414 -172.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 1.1 mp -140.06 120.14 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 113.149 -1.841 . . . . 1.0 113.745 -168.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -166.99 96.0 0.5 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 131.071 3.748 . . . . 1.0 104.859 166.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -129.67 93.68 3.58 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 105.005 -2.22 . . . . 1.0 105.005 173.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -161.22 -1.01 0.05 Allowed 'General case' 0 CA--C 1.56 1.331 0 N-CA-C 115.221 1.563 . . . . 1.0 115.221 -169.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.21 93.46 1.03 Allowed Glycine 0 N--CA 1.48 1.578 0 C-N-CA 126.796 2.141 . . . . 1.0 112.306 -171.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.3 t -163.48 112.68 1.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 127.354 2.261 . . . . 1.0 111.357 -170.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -126.12 129.89 49.96 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 126.574 1.95 . . . . 1.0 114.059 -172.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 167.52 1.17 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 127.652 2.381 . . . . 1.0 115.453 170.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.94 -13.85 3.34 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 119.864 2.706 . . . . 1.0 119.864 168.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.19 34.89 9.26 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.679 1.74 . . . . 1.0 114.584 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 144.04 51.87 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 126.725 2.01 . . . . 1.0 115.197 -168.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 172.61 0.98 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 130.712 3.605 . . . . 1.0 112.195 -171.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.495 1.799 0 C-N-CA 128.466 2.706 . . . . 1.0 114.147 171.487 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 4.3 ttm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.025 -0.036 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.54 111.41 17.64 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 124.262 1.025 . . . . 1.0 113.039 -177.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.5 m -110.05 116.06 30.89 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 125.915 1.686 . . . . 1.0 112.446 -170.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 t -109.78 117.53 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 127.419 2.288 . . . . 1.0 110.979 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mp -106.97 123.43 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 127.132 2.173 . . . . 1.0 112.228 -173.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -101.09 101.8 12.63 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.478 1.911 . . . . 1.0 112.949 -174.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.75 69.47 1.4 Allowed Glycine 0 CA--C 1.534 1.224 0 N-CA-C 118.108 2.003 . . . . 1.0 118.108 170.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -61.13 -46.0 92.36 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.804 2.041 . . . . 1.0 113.352 171.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 t -65.56 108.72 2.12 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.817 2.847 . . . . 1.0 114.047 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.59 -4.32 23.08 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 126.681 2.086 . . . . 1.0 118.013 171.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 p -148.51 122.52 4.79 Favored Pre-proline 0 CA--C 1.563 1.46 0 CA-C-N 120.275 2.038 . . . . 1.0 114.466 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.34 -32.45 50.63 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 124.421 3.414 . . . . 1.0 114.796 -173.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -58.5 -38.92 78.69 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.244 1.417 . . . . 1.0 112.259 172.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -67.73 -43.81 79.07 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.952 1.701 . . . . 1.0 113.553 170.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -54.08 -53.97 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 CA-C-O 117.673 -1.156 . . . . 1.0 111.569 172.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -59.16 -44.44 92.12 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 119.272 0.942 . . . . 1.0 112.243 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.31 77.62 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 124.166 0.986 . . . . 1.0 113.496 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -61.4 2.53 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.925 1.29 . . . . 1.0 111.459 170.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.85 -39.15 58.4 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.986 2.114 . . . . 1.0 114.258 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -58.27 -45.43 87.88 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 126.283 1.833 . . . . 1.0 112.626 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.8 95.55 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.158 1.383 . . . . 1.0 112.926 170.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -59.98 -46.37 89.66 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.025 -1.047 . . . . 1.0 112.998 171.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -53.08 -52.91 57.08 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 126.509 1.924 . . . . 1.0 112.365 171.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.85 -41.96 92.59 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.285 1.434 . . . . 1.0 112.999 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -61.6 -37.63 84.61 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 172.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -41.59 97.41 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.373 1.469 . . . . 1.0 112.073 169.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -75.75 -34.36 60.27 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 128.514 2.725 . . . . 1.0 115.949 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -114.94 168.01 10.29 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 116.189 1.922 . . . . 1.0 116.189 -169.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -77.33 -52.0 9.9 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.447 2.299 . . . . 1.0 112.514 170.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -76.67 -18.09 58.76 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 128.565 2.746 . . . . 1.0 118.049 -172.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -95.14 112.62 24.3 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.703 1.371 . . . . 1.0 114.703 -168.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -126.23 133.66 51.43 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 127.834 2.454 . . . . 1.0 112.412 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.288 0.1 OUTLIER -114.58 140.25 48.94 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 117.189 2.292 . . . . 1.0 117.189 -170.286 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -126.67 134.29 50.75 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 127.306 2.242 . . . . 1.0 110.215 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -114.59 123.37 49.18 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.016 1.726 . . . . 1.0 112.544 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.84 115.72 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 128.921 2.889 . . . . 1.0 111.103 -177.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.71 94.28 1.01 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.035 1.865 . . . . 1.0 116.035 172.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.48 -43.07 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.405 -1.435 . . . . 1.0 112.159 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -68.85 -4.6 16.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.392 2.277 . . . . 1.0 115.12 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.64 -26.9 2.19 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 117.14 2.274 . . . . 1.0 117.14 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -10.72 59.81 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 120.68 1.582 . . . . 1.0 113.291 169.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.21 56.35 1.71 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 127.504 2.478 . . . . 1.0 113.854 177.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.6 mt -134.5 148.22 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 127.523 2.329 . . . . 1.0 111.924 -174.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -143.26 165.81 26.44 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.652 2.381 . . . . 1.0 112.403 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -27.66 8.52 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.673 1.989 . . . . 1.0 115.784 174.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -67.8 -42.0 82.27 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.654 1.981 . . . . 1.0 112.188 173.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -67.89 -52.5 35.72 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.943 1.697 . . . . 1.0 110.976 170.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.9 mt -54.92 -45.5 74.78 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.575 1.55 . . . . 1.0 114.496 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.2 pt20 -61.2 -19.65 61.86 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.885 1.439 . . . . 1.0 114.885 172.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -89.74 -54.95 3.83 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 127.488 2.315 . . . . 1.0 111.961 170.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -46.16 -45.98 16.99 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 127.514 2.326 . . . . 1.0 113.474 171.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.03 -14.02 60.56 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 116.738 2.125 . . . . 1.0 116.738 174.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.95 42.28 6.4 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.007 1.765 . . . . 1.0 112.584 -169.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.97 132.65 14.96 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.97 2.108 . . . . 1.0 111.015 -169.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.54 67.83 2.17 Favored 'Trans proline' 0 CA--C 1.551 1.355 0 C-N-CA 124.137 3.225 . . . . 1.0 114.298 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG22 ' HB3' ' A' ' 49' ' ' GLN . 2.1 m -90.66 165.32 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 C-N-CA 126.768 2.027 . . . . 1.0 112.702 175.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -135.99 -50.37 0.7 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 125.329 1.451 . . . . 1.0 111.278 168.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.7 p -105.54 -177.19 3.29 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 126.738 2.015 . . . . 1.0 115.234 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.36 155.03 39.23 Favored Pre-proline 0 N--CA 1.495 1.817 0 C-N-CA 127.477 2.311 . . . . 1.0 112.615 177.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.74 169.05 71.69 Favored 'Cis proline' 0 CA--C 1.543 0.939 0 N-CA-C 115.005 1.117 . . . . 1.0 115.005 8.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -144.02 96.63 2.92 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.904 2.081 . . . . 1.0 110.313 171.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.3 mt -117.26 153.43 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 C-N-CA 128.852 2.861 . . . . 1.0 113.831 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -128.3 107.05 9.45 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.987 2.115 . . . . 1.0 109.629 174.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.8 t -90.87 127.08 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 126.265 1.826 . . . . 1.0 109.496 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.45 0.0 OUTLIER 45.87 39.99 6.09 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.396 1.879 . . . . 1.0 114.498 -169.112 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 64.34 6.72 3.17 Favored 'General case' 0 CA--C 1.568 1.672 0 C-N-CA 129.071 2.948 . . . . 1.0 115.955 -173.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -92.23 138.04 31.86 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.651 2.78 . . . . 1.0 111.16 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -61.43 108.63 0.98 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.489 -1.382 . . . . 1.0 113.158 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.7 mm -127.98 96.37 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 127.842 2.457 . . . . 1.0 106.453 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -21.91 -55.13 0.02 OUTLIER Glycine 0 CA--C 1.545 1.925 0 C-N-CA 128.77 3.081 . . . . 1.0 119.046 -170.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -139.83 11.27 Favored Glycine 0 N--CA 1.476 1.323 0 C-N-CA 128.014 2.721 . . . . 1.0 112.958 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -31.5 -40.61 0.04 OUTLIER 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 128.602 2.761 . . . . 1.0 116.35 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.484 ' HB ' ' H ' ' B' ' 143' ' ' SER . 0.0 OUTLIER -67.43 -65.01 0.74 Allowed 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 126.936 2.095 . . . . 1.0 113.939 168.63 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -48.06 58.16 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 131.637 3.975 . . . . 1.0 113.11 -168.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -54.2 -48.44 71.0 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 130.63 3.572 . . . . 1.0 113.394 171.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.56 -52.94 61.45 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.176 1.79 . . . . 1.0 112.674 172.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.79 -43.28 65.77 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.85 1.26 . . . . 1.0 113.568 171.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -60.18 -53.62 55.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.374 2.27 . . . . 1.0 113.61 170.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.2 t -50.94 -47.87 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.597 1.159 . . . . 1.0 111.491 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -60.57 -39.12 86.85 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.717 2.007 . . . . 1.0 114.322 173.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.91 -12.38 24.82 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 126.546 1.938 . . . . 1.0 113.846 168.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -103.25 -60.64 1.52 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.729 2.012 . . . . 1.0 113.624 169.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.3 mt -72.23 -28.64 63.29 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.012 2.125 . . . . 1.0 115.76 -172.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -109.27 6.65 24.76 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.168 1.787 . . . . 1.0 115.17 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.432 0 N-CA-C 117.724 2.49 . . . . 1.0 117.724 -170.665 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.982 0 N-CA-C 105.073 -3.211 . . . . 1.0 105.073 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.54 101.94 4.34 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 106.187 -1.783 . . . . 1.0 106.187 167.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.28 118.36 10.68 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.816 2.447 . . . . 1.0 111.541 -174.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -129.48 142.34 50.8 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 114.287 1.217 . . . . 1.0 114.287 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -142.88 95.37 2.76 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 128.108 2.563 . . . . 1.0 109.514 170.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.67 143.18 35.15 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 116.246 1.943 . . . . 1.0 116.246 -168.559 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -131.24 94.53 3.59 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.992 1.717 . . . . 1.0 113.909 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -95.76 107.75 20.0 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 123.656 1.694 . . . . 1.0 112.937 171.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.53 95.54 2.76 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 128.51 2.724 . . . . 1.0 109.522 174.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.52 -51.61 71.38 Favored Pre-proline 0 N--CA 1.495 1.813 0 C-N-CA 125.156 1.382 . . . . 1.0 111.165 173.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -75.09 74.38 4.07 Favored 'Trans proline' 0 CA--C 1.552 1.419 0 C-N-CA 123.089 2.526 . . . . 1.0 109.885 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 65.1 p -87.58 102.59 14.75 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 122.472 1.13 . . . . 1.0 110.231 -171.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 2.8 mp -128.56 103.11 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 128.6 2.76 . . . . 1.0 108.634 -175.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.9 94.77 2.39 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.75 2.02 . . . . 1.0 106.593 168.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -142.84 93.16 2.48 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.707 1.203 . . . . 1.0 109.266 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -163.75 -3.64 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.433 2.012 . . . . 1.0 116.433 -170.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.62 92.44 0.13 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.469 1.033 . . . . 1.0 115.233 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 143' ' ' SER . . . . . 0.484 ' H ' ' HB ' ' A' ' 73' ' ' THR . 5.1 t -168.89 140.86 2.61 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.363 1.865 . . . . 1.0 111.498 169.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -123.9 110.5 14.92 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 127.463 2.305 . . . . 1.0 109.578 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.7 t -155.41 153.78 30.91 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.531 1.932 . . . . 1.0 114.816 172.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 135.84 -10.02 4.24 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 127.298 2.38 . . . . 1.0 117.385 169.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 49.65 36.36 10.49 Favored 'General case' 0 CA--C 1.561 1.401 0 CA-C-N 120.033 1.916 . . . . 1.0 115.534 169.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 137.1 50.26 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 126.331 1.852 . . . . 1.0 113.463 -169.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -179.55 173.21 1.08 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 130.528 3.531 . . . . 1.0 111.574 -172.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.492 1.646 0 C-N-CA 128.97 2.908 . . . . 1.0 114.232 172.853 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ttm . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 119.091 -0.48 . . . . 1.0 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -106.56 118.87 37.79 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.167 1.787 . . . . 1.0 113.11 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.0 m -112.17 110.23 20.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.42 -1.425 . . . . 1.0 111.242 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.03 119.1 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 126.69 1.996 . . . . 1.0 111.033 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.429 HG21 ' HB2' ' A' ' 18' ' ' LYS . 3.7 mp -116.04 132.62 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 126.265 1.826 . . . . 1.0 113.171 -170.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -109.95 97.7 7.16 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.613 1.965 . . . . 1.0 114.103 -172.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.03 87.95 1.14 Allowed Glycine 0 CA--C 1.548 2.141 0 N-CA-C 119.783 2.673 . . . . 1.0 119.783 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -68.41 -45.97 71.21 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 125.641 1.577 . . . . 1.0 112.091 168.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -61.61 98.02 0.08 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 128.784 2.834 . . . . 1.0 115.568 -169.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.02 -27.21 2.31 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 126.739 2.114 . . . . 1.0 117.521 170.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -149.65 135.57 10.18 Favored Pre-proline 0 CA--C 1.56 1.354 0 CA-C-N 119.752 1.776 . . . . 1.0 115.263 -170.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.2 -32.44 42.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 123.944 3.096 . . . . 1.0 115.703 -170.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -41.9 73.86 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.292 1.437 . . . . 1.0 111.839 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t -60.54 -42.97 97.61 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.527 1.531 . . . . 1.0 112.78 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.3 -54.19 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 124.15 0.98 . . . . 1.0 110.718 169.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 0.254 36.6 mtm-85 -59.23 -39.15 81.84 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.695 1.198 . . . . 1.0 113.177 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.74 70.48 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.339 1.455 . . . . 1.0 113.582 171.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HB2' HG21 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -65.4 -54.71 24.77 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.129 1.372 . . . . 1.0 113.039 170.465 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.14 -39.42 56.26 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.736 2.014 . . . . 1.0 113.404 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.38 -43.26 74.98 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.61 1.964 . . . . 1.0 114.112 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.51 99.74 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.065 1.346 . . . . 1.0 113.74 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.21 -41.87 99.21 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 126.114 1.765 . . . . 1.0 113.683 171.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -53.51 -50.47 65.35 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 129.452 3.101 . . . . 1.0 111.481 169.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.87 -44.18 93.85 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.683 1.993 . . . . 1.0 114.386 170.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t -66.04 -32.3 73.69 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 115.294 1.59 . . . . 1.0 115.294 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -68.4 -45.33 72.93 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 119.031 0.832 . . . . 1.0 110.869 168.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.73 -27.96 69.26 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 128.371 2.668 . . . . 1.0 114.065 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -138.98 148.32 43.34 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 126.796 2.039 . . . . 1.0 115.416 -170.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.78 -36.61 36.83 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.395 1.257 . . . . 1.0 114.395 175.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -58.06 -30.37 66.13 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 128.047 2.539 . . . . 1.0 114.901 170.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -95.28 97.35 9.8 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 122.792 1.282 . . . . 1.0 112.831 -168.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -96.44 124.3 40.39 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 130.162 3.385 . . . . 1.0 108.65 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.34 136.95 54.53 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.419 -1.426 . . . . 1.0 113.315 -172.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -129.64 131.17 46.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.566 1.946 . . . . 1.0 110.355 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -115.98 123.57 48.35 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.288 1.035 . . . . 1.0 112.279 174.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.59 116.71 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 128.835 2.854 . . . . 1.0 110.161 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.59 151.39 39.4 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.325 -1.484 . . . . 1.0 111.563 169.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.294 2.4 pp -118.65 -53.77 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 114.272 -1.331 . . . . 1.0 111.163 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -56.84 -40.86 76.84 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.954 1.252 . . . . 1.0 113.316 172.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.33 -31.45 33.46 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 115.685 1.735 . . . . 1.0 115.685 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.84 -14.82 43.84 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.022 1.729 . . . . 1.0 114.848 170.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.89 5.37 29.18 Favored Glycine 0 N--CA 1.489 2.229 0 C-N-CA 128.476 2.941 . . . . 1.0 117.931 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.7 mt -94.67 162.08 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 130.744 3.618 . . . . 1.0 110.985 -175.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.8 t -148.81 169.21 20.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.195 1.398 . . . . 1.0 114.583 -171.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -43.24 -47.82 6.53 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 127.107 2.163 . . . . 1.0 111.811 169.46 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -60.63 -26.39 66.99 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 127.395 2.278 . . . . 1.0 113.33 -177.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -83.13 -51.75 7.23 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.016 2.127 . . . . 1.0 111.042 169.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 mt -54.09 -44.21 71.0 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.785 2.034 . . . . 1.0 113.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -56.26 -31.98 64.09 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.894 1.677 . . . . 1.0 113.982 171.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.86 -45.54 16.68 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.23 1.812 . . . . 1.0 112.259 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.63 -30.05 71.21 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.142 1.377 . . . . 1.0 113.83 170.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.33 -21.41 27.28 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.744 2.018 . . . . 1.0 116.006 172.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.26 -23.52 0.09 OUTLIER Glycine 0 CA--C 1.551 2.343 0 C-N-CA 126.982 2.23 . . . . 1.0 115.967 -169.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -63.61 132.55 95.22 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 128.779 2.832 . . . . 1.0 111.44 173.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.68 66.46 6.6 Favored 'Trans proline' 0 CA--C 1.553 1.439 0 C-N-CA 123.211 2.607 . . . . 1.0 114.117 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 m -67.42 152.46 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 126.555 1.942 . . . . 1.0 112.502 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.489 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 26.7 tp10 -118.41 -33.33 4.37 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.435 1.894 . . . . 1.0 114.53 173.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.8 p -138.45 -178.23 5.2 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 127.315 2.246 . . . . 1.0 114.55 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG21 ' HB2' ' B' ' 148' ' ' CYS . 0.0 OUTLIER -81.27 158.53 69.28 Favored Pre-proline 0 N--CA 1.49 1.565 0 C-N-CA 127.094 2.158 . . . . 1.0 112.581 170.874 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.45 164.55 86.88 Favored 'Cis proline' 0 C--N 1.355 0.91 0 N-CA-C 115.296 1.229 . . . . 1.0 115.296 7.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -140.34 87.39 2.13 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.319 1.847 . . . . 1.0 110.906 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.3 mt -111.16 151.65 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 127.215 2.206 . . . . 1.0 113.114 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -129.32 94.7 3.85 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.444 2.298 . . . . 1.0 109.715 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.3 t -77.96 131.74 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 124.75 1.22 . . . . 1.0 109.431 172.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 4.5 m-20 43.62 29.75 0.3 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 129.479 3.112 . . . . 1.0 114.998 -169.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.261 45.2 mt-30 70.66 32.67 2.5 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 128.974 2.91 . . . . 1.0 114.851 -174.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.38 136.05 50.38 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 129.198 2.999 . . . . 1.0 109.743 171.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -60.03 112.69 1.98 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.096 -1.628 . . . . 1.0 114.085 -176.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.1 mm -125.73 104.85 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 128.282 2.633 . . . . 1.0 105.961 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -21.64 -62.51 0.02 OUTLIER Glycine 0 N--CA 1.48 1.594 0 C-N-CA 127.627 2.536 . . . . 1.0 116.601 -170.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.79 -149.75 20.31 Favored Glycine 0 C--O 1.221 -0.692 0 C-N-CA 127.794 2.616 . . . . 1.0 110.989 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -31.25 -55.42 0.24 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 126.47 1.908 . . . . 1.0 113.403 -169.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.2 t -46.01 -61.95 1.53 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 128.129 2.572 . . . . 1.0 116.382 170.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.77 -49.55 67.93 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 128.807 2.843 . . . . 1.0 112.525 173.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -49.06 63.44 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.985 3.314 . . . . 1.0 114.0 177.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.47 -53.06 62.37 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.826 1.651 . . . . 1.0 112.323 171.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.66 -43.72 72.63 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.731 1.212 . . . . 1.0 113.102 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -58.32 -51.96 67.62 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.408 1.883 . . . . 1.0 113.848 171.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.9 t -53.16 -52.39 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-N 119.535 1.061 . . . . 1.0 111.61 172.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -58.89 -51.7 68.89 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.496 2.319 . . . . 1.0 112.968 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -59.51 -12.2 5.95 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 127.326 2.25 . . . . 1.0 115.6 171.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -102.74 -58.74 1.82 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 127.313 2.245 . . . . 1.0 114.922 169.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.93 -27.42 43.7 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.278 2.231 . . . . 1.0 116.214 -175.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -100.92 4.56 42.72 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.009 1.724 . . . . 1.0 114.961 172.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 130.464 3.506 . . . . 1.0 117.151 -170.723 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.127 0 N-CA-C 107.279 -2.328 . . . . 1.0 107.279 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.22 104.07 4.91 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 105.497 -2.038 . . . . 1.0 105.497 167.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -140.62 154.06 46.3 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.948 1.699 . . . . 1.0 113.839 -172.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -152.98 144.16 23.13 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 127.121 2.169 . . . . 1.0 111.804 -173.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.94 122.59 35.01 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.25 1.82 . . . . 1.0 110.882 170.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -128.37 129.0 45.57 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.708 2.003 . . . . 1.0 112.432 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -99.23 133.03 44.11 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 126.812 2.045 . . . . 1.0 112.44 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -138.13 143.44 40.35 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.332 1.853 . . . . 1.0 114.688 -171.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.54 93.53 2.68 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.319 1.447 . . . . 1.0 109.111 168.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 11.1 p -63.51 -28.53 3.43 Favored Pre-proline 0 N--CA 1.483 1.179 0 N-CA-C 117.061 2.245 . . . . 1.0 117.061 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -100.85 -13.91 0.16 Allowed 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 122.925 2.417 . . . . 1.0 117.327 -173.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 7.4 t -152.75 108.37 3.3 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 119.385 3.106 . . . . 1.0 119.385 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 3.4 mp -126.33 51.4 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 C-N-CA 127.838 2.455 . . . . 1.0 107.641 167.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -51.45 134.55 28.71 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 131.279 3.831 . . . . 1.0 115.328 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.11 94.69 7.68 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 108.766 -0.828 . . . . 1.0 108.766 170.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -163.11 -119.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.936 1.694 . . . . 1.0 112.435 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -56.28 5.2 0.02 OUTLIER Glycine 0 CA--C 1.558 2.739 0 N-CA-C 119.762 2.665 . . . . 1.0 119.762 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.5 t -46.71 100.68 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 1 C-N-CA 132.372 4.269 . . . . 1.0 116.951 -172.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.7 2.8 41.81 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 120.615 3.561 . . . . 1.0 120.615 -169.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.2 t -135.93 175.38 9.65 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 116.946 2.202 . . . . 1.0 116.946 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 163.85 -9.84 0.08 OUTLIER Glycine 0 N--CA 1.482 1.758 0 N-CA-C 118.751 2.26 . . . . 1.0 118.751 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 57.42 17.96 4.14 Favored 'General case' 0 CA--C 1.565 1.544 0 N-CA-C 118.524 2.787 . . . . 1.0 118.524 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 148' ' ' CYS . . . . . 0.437 ' HB2' HG21 ' A' ' 59' ' ' VAL . 1.7 m -70.41 114.97 9.05 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 126.788 2.035 . . . . 1.0 111.425 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -179.49 175.82 0.87 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 126.911 2.085 . . . . 1.0 114.727 -174.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 2.3 tp . . . . . 0 N--CA 1.487 1.42 0 C-N-CA 129.376 3.07 . . . . 1.0 113.224 173.432 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.48 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 121.054 0.454 . . . . 1.0 111.063 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tm0? -119.25 121.43 39.63 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 129.061 2.945 . . . . 1.0 112.036 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 m -121.78 121.02 36.3 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 126.103 1.761 . . . . 1.0 111.638 -172.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.6 t -118.04 131.26 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 126.534 1.934 . . . . 1.0 111.781 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.41 122.03 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 125.833 1.653 . . . . 1.0 112.54 -171.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -105.86 105.88 16.13 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.618 1.967 . . . . 1.0 113.432 -172.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.81 70.08 1.35 Allowed Glycine 0 N--CA 1.483 1.808 0 C-N-CA 126.319 1.914 . . . . 1.0 116.623 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -79.89 -53.04 7.14 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 127.667 2.387 . . . . 1.0 114.126 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -63.71 24.37 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 130.592 3.557 . . . . 1.0 118.054 -171.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.71 -32.8 0.5 Allowed Glycine 0 CA--C 1.543 1.841 0 C-N-CA 126.504 2.002 . . . . 1.0 117.156 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.3 p -140.51 142.35 28.8 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 127.023 2.129 . . . . 1.0 115.621 -172.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -61.3 -41.89 38.78 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 124.41 3.407 . . . . 1.0 115.134 -172.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -68.39 -38.07 80.96 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 120.878 1.672 . . . . 1.0 113.25 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.499 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.7 t -58.06 -40.69 81.64 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 119.286 0.948 . . . . 1.0 111.559 171.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.06 -52.11 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-O 116.755 -1.593 . . . . 1.0 110.086 171.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' B' ' 140' ' ' ASP . 0.0 OUTLIER -54.58 -41.9 70.42 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.26 1.824 . . . . 1.0 112.295 176.43 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.02 83.7 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.109 2.564 . . . . 1.0 112.818 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -63.78 -52.11 61.79 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.25 1.42 . . . . 1.0 112.018 171.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -41.66 29.81 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 128.145 2.578 . . . . 1.0 113.172 172.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 72' ' ' TYR . 3.4 mp -59.62 -47.31 86.08 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.285 2.234 . . . . 1.0 113.999 171.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.96 96.2 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.906 0.883 . . . . 1.0 111.723 171.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.94 -43.52 91.21 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 126.967 2.107 . . . . 1.0 113.338 171.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -54.38 -55.11 31.92 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 131.59 3.956 . . . . 1.0 111.537 172.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.39 -48.46 81.65 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.677 1.991 . . . . 1.0 111.796 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t -53.71 -45.91 70.58 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 127.328 2.251 . . . . 1.0 114.8 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -43.26 86.22 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.463 1.905 . . . . 1.0 113.229 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.39 -51.25 64.19 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 126.803 2.041 . . . . 1.0 112.356 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.49 177.74 6.48 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 129.11 2.964 . . . . 1.0 114.273 -174.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.6 -22.14 8.23 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 127.949 2.5 . . . . 1.0 114.656 172.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -95.37 -19.81 19.63 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 118.049 2.611 . . . . 1.0 118.049 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -96.9 129.05 44.4 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 128.186 2.594 . . . . 1.0 110.894 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -116.36 130.94 57.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 128.383 2.673 . . . . 1.0 110.544 -173.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.1 136.13 54.67 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 127.515 2.326 . . . . 1.0 113.682 -176.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -130.03 133.5 46.78 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 127.584 2.353 . . . . 1.0 111.157 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -111.63 123.89 51.16 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.675 1.59 . . . . 1.0 112.769 173.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 t -122.73 115.0 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 126.926 2.09 . . . . 1.0 112.603 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.686 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.263 0.0 OUTLIER -71.86 102.47 2.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.817 1.414 . . . . 1.0 114.817 171.358 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.66 -39.48 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.236 -1.54 . . . . 1.0 111.735 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -65.19 -24.7 67.44 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.307 1.443 . . . . 1.0 113.478 172.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -101.9 -43.88 5.67 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.852 1.261 . . . . 1.0 114.074 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -63.56 -35.4 80.37 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.282 1.433 . . . . 1.0 112.928 172.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.52 35.64 0.98 Allowed Glycine 0 N--CA 1.491 2.306 0 C-N-CA 126.861 2.172 . . . . 1.0 117.233 172.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -124.75 160.3 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 130.389 3.475 . . . . 1.0 111.881 -171.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -140.01 168.14 20.49 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.874 2.07 . . . . 1.0 114.129 -171.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -32.84 62.77 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.762 1.023 . . . . 1.0 113.762 173.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -62.28 -36.83 83.29 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 127.348 2.259 . . . . 1.0 112.867 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.12 -51.1 16.67 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.939 2.096 . . . . 1.0 110.765 172.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.1 mt -59.07 -49.14 79.02 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.714 1.606 . . . . 1.0 113.439 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.629 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.6 pt20 -56.49 -38.17 71.39 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.573 1.549 . . . . 1.0 113.871 172.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -65.36 -62.07 1.75 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.57 2.348 . . . . 1.0 111.358 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -57.43 -38.62 74.69 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.646 1.579 . . . . 1.0 113.26 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' HB1' ' CG ' ' A' ' 68' ' ' HIS . . . -62.17 -22.76 66.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.069 1.748 . . . . 1.0 114.973 171.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.95 30.51 73.47 Favored Glycine 0 CA--C 1.546 2.007 0 CA-C-N 119.254 0.934 . . . . 1.0 114.262 -172.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -148.26 121.45 4.67 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 128.797 2.839 . . . . 1.0 110.221 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.42 68.97 5.16 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 124.226 3.284 . . . . 1.0 113.246 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.3 m -62.1 161.86 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 125.767 1.627 . . . . 1.0 113.288 175.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -123.44 -58.29 1.62 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.853 2.061 . . . . 1.0 112.735 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.2 p -123.59 174.31 7.51 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 127.799 2.44 . . . . 1.0 114.215 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.41 HG21 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -83.75 157.46 63.81 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 127.295 2.238 . . . . 1.0 113.907 -172.428 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.28 168.91 73.13 Favored 'Cis proline' 0 CA--C 1.554 1.516 0 N-CA-C 116.673 1.759 . . . . 1.0 116.673 8.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.568 ' NE2' HG21 ' A' ' 56' ' ' VAL . 6.1 mm100 -145.1 82.45 1.66 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.725 2.81 . . . . 1.0 111.764 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -110.48 152.06 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 128.005 2.522 . . . . 1.0 115.161 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -126.08 108.02 10.96 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.937 1.695 . . . . 1.0 109.57 175.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.9 t -97.62 130.45 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 126.053 1.741 . . . . 1.0 109.57 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.57 62.76 1.12 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.831 2.852 . . . . 1.0 111.562 -172.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 55.1 10.09 0.38 Allowed 'General case' 0 CA--C 1.557 1.243 1 C-N-CA 133.26 4.624 . . . . 1.0 118.178 -174.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.64 142.34 51.56 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.244 1.818 . . . . 1.0 113.253 -173.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.415 ' CG ' ' HB1' ' A' ' 52' ' ' ALA . 17.7 t-80 -60.58 134.35 56.99 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 115.991 1.848 . . . . 1.0 115.991 -174.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.6 mm -135.22 158.14 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 C-N-CA 131.104 3.762 . . . . 1.0 107.202 171.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.22 -70.86 0.85 Allowed Glycine 0 CA--C 1.537 1.458 0 O-C-N 119.618 -1.926 . . . . 1.0 111.106 172.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.5 -138.17 9.75 Favored Glycine 0 C--O 1.219 -0.831 0 C-N-CA 126.308 1.909 . . . . 1.0 110.552 -173.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.439 ' CZ ' ' HB2' ' B' ' 140' ' ' ASP . 29.8 t80 -32.58 -53.6 0.33 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.077 1.939 . . . . 1.0 115.047 -172.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 t -62.27 -61.61 2.34 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.04 1.336 . . . . 1.0 114.363 173.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.78 -47.01 77.81 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.586 2.354 . . . . 1.0 113.429 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.62 -49.26 78.24 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 130.804 3.642 . . . . 1.0 113.703 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.96 97.64 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.1 1.318 . . . . 1.0 111.417 171.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.6 93.76 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.736 1.214 . . . . 1.0 113.1 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -62.6 -53.15 58.97 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.874 2.47 . . . . 1.0 112.927 171.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.0 t -53.1 -52.68 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 126.105 1.762 . . . . 1.0 111.421 172.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . 0.285 11.6 ptpt -63.79 -34.01 76.96 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.599 1.333 . . . . 1.0 114.599 176.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -60.79 -20.03 60.67 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 126.833 2.053 . . . . 1.0 112.587 171.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -98.82 -58.06 2.03 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 127.659 2.384 . . . . 1.0 113.24 172.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.11 -29.69 24.64 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 117.538 2.422 . . . . 1.0 117.538 -171.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -99.21 6.19 46.45 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 126.48 1.912 . . . . 1.0 113.346 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 C-N-CA 130.606 3.563 . . . . 1.0 114.687 -175.235 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.147 0 N-CA-C 107.782 -2.127 . . . . 1.0 107.782 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.85 107.6 6.6 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.255 2.222 . . . . 1.0 106.329 171.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -137.24 120.12 16.39 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.83 1.652 . . . . 1.0 111.476 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -100.14 120.41 39.83 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.106 1.362 . . . . 1.0 113.434 -171.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.23 88.48 4.19 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 126.014 1.726 . . . . 1.0 113.269 -172.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.74 132.34 49.59 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.707 2.003 . . . . 1.0 113.508 171.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -145.32 95.49 2.68 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.468 1.907 . . . . 1.0 112.699 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -64.96 145.82 55.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.495 1.518 . . . . 1.0 113.586 172.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -78.48 98.11 5.95 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.1 1.36 . . . . 1.0 112.347 174.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.6 p -84.89 -32.86 0.49 Allowed Pre-proline 0 N--CA 1.484 1.271 0 C-N-CA 125.962 1.705 . . . . 1.0 114.779 172.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -78.79 75.41 5.03 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 123.429 2.753 . . . . 1.0 110.228 171.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 10.4 t -91.14 171.67 9.09 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.456 1.902 . . . . 1.0 113.552 -172.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . 0.265 6.3 mt -122.54 79.51 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 126.389 1.876 . . . . 1.0 113.227 -171.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.82 132.75 8.61 Favored 'General case' 0 CA--C 1.555 1.156 1 C-N-CA 131.719 4.008 . . . . 1.0 108.203 173.533 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 140' ' ' ASP . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 16.7 p-10 -98.04 98.15 9.51 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 116.796 2.147 . . . . 1.0 116.796 -170.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.256 8.5 t70 -152.68 -111.62 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 131.168 3.787 . . . . 1.0 110.712 171.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -58.61 7.48 0.03 OUTLIER Glycine 0 CA--C 1.551 2.287 0 C-N-CA 130.23 3.776 . . . . 1.0 119.382 175.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.2 134.65 49.5 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 120.043 1.921 . . . . 1.0 115.493 -172.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -126.26 19.56 7.54 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 127.788 2.435 . . . . 1.0 115.078 -172.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.2 p -123.06 153.16 40.24 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 116.156 1.909 . . . . 1.0 116.156 -174.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 168.45 -17.05 0.07 OUTLIER Glycine 0 N--CA 1.477 1.39 0 N-CA-C 117.953 1.941 . . . . 1.0 117.953 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.66 33.67 17.09 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 119.2 1.5 . . . . 1.0 114.485 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.54 121.01 18.96 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.574 1.55 . . . . 1.0 107.389 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 73.6 tttt 177.14 156.0 0.29 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 129.83 3.252 . . . . 1.0 111.38 -170.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.488 1.461 0 C-N-CA 130.391 3.476 . . . . 1.0 115.353 172.09 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 111.516 0.191 . . . . 1.0 111.516 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.53 120.61 38.03 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.195 1.398 . . . . 1.0 111.249 171.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.6 m -123.72 123.85 41.43 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 126.398 1.879 . . . . 1.0 112.121 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.1 t -115.61 130.83 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 127.576 2.351 . . . . 1.0 110.793 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.7 mt -123.06 125.67 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 127.151 2.18 . . . . 1.0 112.452 -168.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -111.81 100.23 8.76 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.617 1.567 . . . . 1.0 114.384 -170.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.87 74.08 1.11 Allowed Glycine 0 CA--C 1.546 1.973 0 C-N-CA 127.261 2.362 . . . . 1.0 118.868 170.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -67.74 -30.73 70.27 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.917 2.087 . . . . 1.0 114.635 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -61.39 128.06 34.49 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.496 2.036 . . . . 1.0 116.496 -169.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.03 -3.53 13.23 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 119.702 2.641 . . . . 1.0 119.702 169.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.17 122.66 26.83 Favored Pre-proline 0 CA--C 1.558 1.255 0 CA-C-N 121.47 2.635 . . . . 1.0 112.428 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -61.64 -30.49 85.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.155 3.237 . . . . 1.0 113.837 -172.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -52.25 -51.48 58.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 129.791 3.236 . . . . 1.0 112.958 171.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 t -70.68 -36.69 73.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.298 1.839 . . . . 1.0 113.981 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.16 -54.9 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 116.896 -1.526 . . . . 1.0 111.622 171.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -56.82 -43.2 80.8 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 120.371 1.441 . . . . 1.0 111.873 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.37 -50.73 70.72 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 114.733 1.382 . . . . 1.0 114.733 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -60.37 -50.34 73.99 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.195 1.398 . . . . 1.0 113.059 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.2 -37.97 81.85 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.984 2.113 . . . . 1.0 113.991 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.71 -43.34 97.96 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.862 1.665 . . . . 1.0 113.267 169.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.39 96.18 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.657 1.183 . . . . 1.0 112.866 171.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.64 -45.13 81.75 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.632 1.973 . . . . 1.0 114.102 171.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -51.79 -56.45 13.79 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 127.764 2.425 . . . . 1.0 111.063 170.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.83 -45.59 91.92 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.122 1.769 . . . . 1.0 113.578 175.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 t -61.66 -35.12 77.06 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 114.234 1.198 . . . . 1.0 114.234 174.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.12 -50.85 52.1 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.052 1.341 . . . . 1.0 112.449 169.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -72.04 -18.9 61.91 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.725 2.01 . . . . 1.0 114.891 -175.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -125.29 170.86 10.89 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.506 1.922 . . . . 1.0 115.385 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -88.71 -51.49 5.64 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 131.309 3.844 . . . . 1.0 114.223 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -24.26 58.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 129.78 3.232 . . . . 1.0 117.662 -169.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -95.94 102.58 14.39 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.837 1.655 . . . . 1.0 113.419 -167.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.57 133.75 40.66 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 127.889 2.475 . . . . 1.0 114.707 171.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -109.97 138.86 45.75 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 128.615 2.766 . . . . 1.0 114.175 -175.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -127.34 132.69 50.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.974 2.109 . . . . 1.0 109.028 172.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -121.56 123.34 41.74 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.272 1.429 . . . . 1.0 112.279 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 t -127.13 108.89 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 127.29 2.236 . . . . 1.0 110.815 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.542 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.251 0.0 OUTLIER -70.09 84.1 0.52 Allowed 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.339 -1.476 . . . . 1.0 114.638 172.052 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -54.31 -37.27 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 120.021 -1.674 . . . . 1.0 111.549 170.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -66.14 -12.18 54.08 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 128.32 2.648 . . . . 1.0 115.241 170.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.542 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -120.38 -45.09 2.45 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 120.379 1.445 . . . . 1.0 114.016 175.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -61.84 -18.77 61.25 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 129.516 3.127 . . . . 1.0 115.209 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.26 50.16 2.86 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 126.928 2.204 . . . . 1.0 115.554 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.7 mt -134.02 148.69 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 126.732 2.013 . . . . 1.0 109.758 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.9 t -132.73 165.84 23.6 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.877 1.806 . . . . 1.0 115.877 -169.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -48.0 -40.82 23.78 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 127.984 2.514 . . . . 1.0 113.31 171.012 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -65.39 -20.39 66.36 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 128.799 2.839 . . . . 1.0 114.092 176.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.38 -47.63 6.51 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.014 2.126 . . . . 1.0 111.3 170.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.3 mt -53.71 -51.35 63.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.24 2.216 . . . . 1.0 114.178 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.4 pt20 -52.27 -32.7 38.47 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 121.316 1.871 . . . . 1.0 114.555 172.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -75.35 -55.8 5.35 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.035 1.334 . . . . 1.0 111.102 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -37.49 63.87 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 126.846 2.058 . . . . 1.0 114.753 172.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.21 -9.72 58.96 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 129.156 2.982 . . . . 1.0 115.632 173.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.89 -53.66 2.54 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 125.574 1.559 . . . . 1.0 113.056 -170.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -69.27 130.96 90.61 Favored Pre-proline 0 N--CA 1.48 1.032 0 C-N-CA 129.514 3.125 . . . . 1.0 112.884 -173.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -65.97 84.54 0.25 Allowed 'Trans proline' 0 CA--C 1.552 1.384 0 C-N-CA 124.22 3.28 . . . . 1.0 111.275 170.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.494 HG22 ' HB3' ' A' ' 49' ' ' GLN . 18.5 m -78.26 149.82 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 125.902 1.681 . . . . 1.0 110.729 169.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.554 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 36.6 tp10 -120.23 -18.44 8.01 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.376 1.47 . . . . 1.0 114.738 174.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -146.37 178.68 8.07 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 128.499 2.72 . . . . 1.0 114.833 -168.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.78 162.46 50.02 Favored Pre-proline 0 N--CA 1.489 1.504 0 C-N-CA 127.006 2.122 . . . . 1.0 111.987 168.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.65 166.75 58.84 Favored 'Cis proline' 0 CA--C 1.554 1.483 0 N-CA-C 115.112 1.158 . . . . 1.0 115.112 -3.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 29.0 mm100 -135.9 80.22 1.82 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.067 2.147 . . . . 1.0 111.51 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 46.0 mt -118.92 153.58 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 128.43 2.692 . . . . 1.0 112.916 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -126.62 111.62 14.53 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.264 2.226 . . . . 1.0 108.732 170.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.07 144.18 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.797 1.239 . . . . 1.0 109.325 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 4.4 p-10 47.97 22.73 0.41 Allowed 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 126.608 1.963 . . . . 1.0 116.247 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 75.71 4.0 3.9 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 131.237 3.815 . . . . 1.0 116.786 -172.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -95.98 159.43 14.97 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.294 2.238 . . . . 1.0 111.038 169.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -75.76 108.27 8.51 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.185 -1.572 . . . . 1.0 112.363 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.7 mm -119.98 102.14 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 128.105 2.562 . . . . 1.0 106.132 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -24.61 -58.91 0.05 OUTLIER Glycine 0 N--CA 1.477 1.41 0 C-N-CA 127.847 2.642 . . . . 1.0 116.438 -170.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.88 -138.43 10.08 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 128.026 2.727 . . . . 1.0 111.284 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -30.82 -52.44 0.17 Allowed 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 127.712 2.405 . . . . 1.0 115.505 -172.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 74' ' ' ASP . 6.3 t -66.28 -63.51 1.06 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 125.596 1.558 . . . . 1.0 115.062 173.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.41 ' H ' HG23 ' A' ' 73' ' ' THR . 0.6 OUTLIER -51.63 -52.65 46.12 Favored 'General case' 0 CA--C 1.563 1.465 0 C-N-CA 129.996 3.319 . . . . 1.0 111.528 177.683 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -60.98 -37.35 82.14 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 130.812 3.645 . . . . 1.0 114.699 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.58 -37.9 83.26 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 121.01 -1.056 . . . . 1.0 113.79 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.48 93.02 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.951 0.9 . . . . 1.0 112.505 170.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -55.63 -51.34 67.52 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.27 1.828 . . . . 1.0 113.596 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.7 t -55.57 -49.11 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 125.227 1.411 . . . . 1.0 113.025 172.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -54.89 -48.72 72.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 119.867 1.212 . . . . 1.0 112.2 170.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.54 -11.1 1.78 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 127.815 2.446 . . . . 1.0 115.966 170.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -101.69 -48.61 4.25 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 126.969 2.108 . . . . 1.0 113.269 169.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.4 mt -94.09 -57.03 2.65 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 128.162 2.585 . . . . 1.0 115.218 -170.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -72.95 -0.18 12.98 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.836 2.055 . . . . 1.0 114.804 171.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.441 0 C-N-CA 129.696 3.198 . . . . 1.0 114.849 174.33 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.129 0 N-CA-C 108.434 -1.866 . . . . 1.0 108.434 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.54 105.15 5.33 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.42 1.888 . . . . 1.0 107.747 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -139.07 173.15 11.86 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 127.189 2.196 . . . . 1.0 113.178 -170.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.16 95.3 7.65 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 122.683 1.23 . . . . 1.0 111.701 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -112.52 86.79 2.43 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.175 2.19 . . . . 1.0 110.45 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -126.71 144.42 50.94 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 128.221 2.608 . . . . 1.0 113.008 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -108.83 157.72 18.33 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 126.821 2.049 . . . . 1.0 115.828 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.94 174.18 8.15 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 130.554 3.541 . . . . 1.0 112.72 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.705 HD13 ' H ' ' B' ' 134' ' ' LEU 0.259 0.0 OUTLIER -54.01 95.66 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.588 0 O-C-N 120.136 -1.602 . . . . 1.0 115.189 -174.149 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' B' B ' 135' ' ' VAL . . . . . 0.537 ' H ' ' CD ' ' B' ' 136' ' ' PRO . 29.1 m -136.62 -14.16 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.532 0 C-N-CA 130.285 3.434 . . . . 1.0 117.27 176.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 136' ' ' PRO . . . . . 0.537 ' CD ' ' H ' ' B' ' 135' ' ' VAL . 53.3 Cg_endo -87.78 -29.91 0.31 Allowed 'Trans proline' 0 CA--C 1.554 1.491 0 C-N-CA 123.714 2.942 . . . . 1.0 114.376 171.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 9.1 m -153.29 135.14 14.6 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 127.733 2.413 . . . . 1.0 111.611 170.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . 0.262 15.5 tt -132.98 80.78 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 114.888 1.44 . . . . 1.0 114.888 -176.319 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -89.14 127.29 35.72 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.855 2.462 . . . . 1.0 108.305 169.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -108.03 95.08 5.43 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.29 -1.506 . . . . 1.0 112.53 175.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -164.75 -11.08 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 118.354 2.724 . . . . 1.0 118.354 171.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -136.15 62.66 0.6 Allowed Glycine 0 N--CA 1.481 1.68 0 N-CA-C 117.155 1.622 . . . . 1.0 117.155 -169.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.7 t -133.69 98.61 4.24 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.371 2.269 . . . . 1.0 114.057 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -86.18 6.93 27.09 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 116.65 2.092 . . . . 1.0 116.65 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.0 t -122.89 169.93 10.63 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.934 1.694 . . . . 1.0 114.417 -171.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 146.1 3.67 0.54 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 118.328 2.091 . . . . 1.0 118.328 172.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 47.75 16.19 0.07 Allowed 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 131.493 3.917 . . . . 1.0 118.194 170.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.33 141.5 38.4 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.443 2.297 . . . . 1.0 114.607 -170.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.79 -175.41 0.16 Allowed 'General case' 0 N--CA 1.495 1.794 1 C-N-CA 131.881 4.072 . . . . 1.0 112.482 176.483 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 N--CA 1.502 2.159 0 C-N-CA 126.752 2.021 . . . . 1.0 115.665 171.886 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttm . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 112.397 0.518 . . . . 1.0 112.397 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.12 120.58 38.17 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.468 2.307 . . . . 1.0 111.683 175.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.1 m -121.7 112.77 18.82 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.962 1.705 . . . . 1.0 112.522 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.68 117.44 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 126.07 1.748 . . . . 1.0 110.537 -175.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 mt -101.83 124.03 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 127.731 2.412 . . . . 1.0 112.877 -171.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.37 106.77 17.42 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 125.078 1.351 . . . . 1.0 113.018 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.98 81.22 0.25 Allowed Glycine 0 CA--C 1.539 1.538 0 C-N-CA 129.642 3.496 . . . . 1.0 118.821 172.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -69.39 -47.13 65.16 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 119.184 1.492 . . . . 1.0 114.419 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -65.34 123.68 20.22 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.899 1.679 . . . . 1.0 114.496 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.23 -10.93 26.64 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 127.777 2.608 . . . . 1.0 117.663 172.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.501 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 12.8 p -145.96 125.12 6.66 Favored Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 116.56 2.059 . . . . 1.0 116.56 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -48.65 -45.7 26.76 Favored 'Trans proline' 0 C--N 1.362 1.256 1 C-N-CA 125.768 4.312 . . . . 1.0 114.807 176.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -59.61 -38.42 81.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.35 1.06 . . . . 1.0 112.735 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.501 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 2.3 t -68.48 -43.31 77.2 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.833 1.253 . . . . 1.0 112.521 171.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.3 t -56.32 -52.36 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-O 117.5 -1.238 . . . . 1.0 111.418 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -64.64 -41.6 96.02 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.946 0.898 . . . . 1.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.36 -44.19 84.15 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 120.002 1.274 . . . . 1.0 113.942 172.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -61.82 2.11 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.344 1.858 . . . . 1.0 111.661 171.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -44.9 -44.46 9.67 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.527 2.331 . . . . 1.0 112.992 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.13 -49.0 79.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.863 2.065 . . . . 1.0 113.066 171.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.1 71.34 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.4 1.08 . . . . 1.0 111.954 171.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.59 -44.4 97.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.453 1.101 . . . . 1.0 112.338 171.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -45.48 71.55 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 129.031 2.932 . . . . 1.0 112.472 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.66 -50.01 66.55 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.338 2.655 . . . . 1.0 112.891 173.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 t -53.81 -42.12 68.06 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 126.881 2.072 . . . . 1.0 113.281 171.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -66.82 -48.24 69.53 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.837 1.255 . . . . 1.0 112.242 171.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -63.44 -45.55 90.38 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.912 2.085 . . . . 1.0 112.866 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -111.27 172.97 6.57 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 127.065 2.146 . . . . 1.0 114.788 -171.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -96.66 -41.16 8.65 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.362 1.865 . . . . 1.0 114.793 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -73.95 -13.24 60.85 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 128.288 2.635 . . . . 1.0 116.415 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -97.6 110.52 23.07 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.436 2.294 . . . . 1.0 114.044 -170.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -112.81 118.29 34.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.833 2.853 . . . . 1.0 110.172 177.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.56 136.8 47.56 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.95 2.5 . . . . 1.0 115.439 -171.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -129.79 138.64 51.16 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.364 2.266 . . . . 1.0 110.089 -176.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -107.75 123.65 48.86 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.582 1.953 . . . . 1.0 111.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.0 t -126.03 132.42 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 C-N-CA 127.575 2.35 . . . . 1.0 111.761 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.622 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -87.86 108.63 19.26 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.599 1.96 . . . . 1.0 115.563 177.757 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.473 HG21 HD11 ' A' ' 48' ' ' LEU . 2.1 pp -71.58 -33.56 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.091 -1.631 . . . . 1.0 110.631 171.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -74.95 -2.86 28.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 131.384 3.874 . . . . 1.0 114.421 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -125.58 -50.62 1.62 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.467 1.507 . . . . 1.0 112.958 171.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -63.46 -11.23 21.92 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 125.543 1.537 . . . . 1.0 115.012 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.5 64.91 1.54 Allowed Glycine 0 N--CA 1.476 1.343 0 C-N-CA 127.896 2.665 . . . . 1.0 112.55 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 44' ' ' THR . 8.7 mt -144.08 161.53 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 126.48 1.912 . . . . 1.0 112.077 -171.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.41 ' N ' HG22 ' A' ' 43' ' ' ILE . 9.6 t -147.77 162.98 38.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 129.614 3.166 . . . . 1.0 112.426 -175.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -26.85 56.47 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 115.622 1.712 . . . . 1.0 115.622 173.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -66.09 -42.87 88.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.003 0.921 . . . . 1.0 112.109 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.15 -52.88 60.66 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.747 2.019 . . . . 1.0 111.829 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD11 HG21 ' A' ' 38' ' ' ILE . 11.7 mt -60.25 -29.52 68.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 117.029 -1.462 . . . . 1.0 113.864 -172.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.888 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.1 pt20 -68.47 -35.02 76.96 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 121.602 2.001 . . . . 1.0 111.29 171.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -75.9 -66.55 0.77 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.977 2.511 . . . . 1.0 113.024 -172.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -54.15 -22.73 11.93 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.466 1.284 . . . . 1.0 114.466 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.72 -39.49 21.87 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 128.597 2.759 . . . . 1.0 116.646 172.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.36 13.58 81.46 Favored Glycine 0 CA--C 1.55 2.263 0 C-N-CA 125.252 1.406 . . . . 1.0 114.247 -171.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -106.27 117.88 56.19 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 128.547 2.739 . . . . 1.0 108.416 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -71.68 81.04 1.36 Allowed 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 124.47 3.446 . . . . 1.0 113.942 -171.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.888 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.1 m -84.71 159.92 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 125.049 1.339 . . . . 1.0 114.258 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -115.13 -47.95 2.84 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.811 2.044 . . . . 1.0 112.188 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 p -150.28 -177.22 5.81 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 131.521 3.928 . . . . 1.0 112.679 -171.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' B' ' 148' ' ' CYS . 0.0 OUTLIER -82.55 155.53 68.68 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 120.141 -1.599 . . . . 1.0 111.148 -178.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -70.76 168.94 69.73 Favored 'Cis proline' 0 CA--C 1.546 1.116 0 N-CA-C 117.228 1.972 . . . . 1.0 117.228 8.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.562 HE22 HG11 ' A' ' 56' ' ' VAL . 82.0 mm-40 -143.64 81.34 1.69 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 129.413 3.085 . . . . 1.0 110.059 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.0 mt -107.74 152.52 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 C-N-CA 128.422 2.689 . . . . 1.0 114.892 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -125.63 90.82 3.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.843 2.057 . . . . 1.0 111.273 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.6 t -81.98 147.1 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 126.094 1.758 . . . . 1.0 108.723 172.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.31 1.2 p-10 48.55 23.8 0.67 Allowed 'General case' 0 CA--C 1.566 1.588 0 O-C-N 120.063 -1.648 . . . . 1.0 115.399 -172.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 62.62 27.72 16.3 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 128.08 2.552 . . . . 1.0 114.191 -172.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.697 HE22 HD11 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -132.6 135.6 46.0 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 131.373 3.869 . . . . 1.0 109.513 -178.604 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.6 108.56 4.42 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 119.476 -2.015 . . . . 1.0 114.802 -171.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.697 HD11 HE22 ' A' ' 67' ' ' GLN . 22.7 mm -107.64 125.84 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 129.669 3.188 . . . . 1.0 107.433 171.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -31.92 -64.53 0.23 Allowed Glycine 0 CA--C 1.544 1.859 0 C-N-CA 125.155 1.359 . . . . 1.0 115.052 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.414 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 129.03 -140.74 11.94 Favored Glycine 0 C--O 1.217 -0.928 0 C-N-CA 128.378 2.894 . . . . 1.0 109.465 -172.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.497 ' CE2' ' HA ' ' B' ' 140' ' ' ASP . 4.0 t80 -32.7 -45.04 0.11 Allowed 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 127.371 2.268 . . . . 1.0 115.775 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -63.68 -62.42 1.67 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 126.925 2.09 . . . . 1.0 114.763 171.758 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.414 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -55.62 -55.11 35.87 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 129.117 2.967 . . . . 1.0 112.823 172.667 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -47.32 68.95 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 127.682 2.393 . . . . 1.0 114.749 172.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.12 77.55 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.972 1.26 . . . . 1.0 111.638 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.66 76.0 Favored 'General case' 0 CA--C 1.56 1.34 0 N-CA-C 113.987 1.106 . . . . 1.0 113.987 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -60.59 -53.65 54.97 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.695 1.998 . . . . 1.0 112.0 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.3 t -52.83 -44.31 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 126.243 1.817 . . . . 1.0 111.96 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' N ' ' HE2' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -57.76 -55.44 34.86 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.135 1.374 . . . . 1.0 110.861 172.453 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -52.9 -13.6 0.45 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.407 1.883 . . . . 1.0 115.666 171.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -99.88 -59.88 1.63 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 126.334 1.854 . . . . 1.0 112.621 171.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.8 mt -86.68 -41.84 13.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 128.142 2.577 . . . . 1.0 116.132 -172.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -93.22 3.45 55.65 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 128.943 2.897 . . . . 1.0 113.996 177.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 1 C-N-CA 132.566 4.346 . . . . 1.0 115.427 -174.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.328 0 N-CA-C 108.96 -1.656 . . . . 1.0 108.96 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.38 106.71 6.42 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 106.057 -1.831 . . . . 1.0 106.057 170.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -137.74 157.44 46.46 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 128.15 2.58 . . . . 1.0 113.617 -175.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -122.29 100.15 6.8 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.716 1.606 . . . . 1.0 113.911 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.28 89.13 4.37 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.078 2.151 . . . . 1.0 111.061 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -125.89 112.83 16.43 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.317 1.847 . . . . 1.0 113.216 -172.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.68 88.55 3.63 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.11 2.564 . . . . 1.0 110.934 -175.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.07 121.45 12.5 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 126.147 1.779 . . . . 1.0 112.239 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.85 98.15 0.96 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 129.281 3.033 . . . . 1.0 110.491 171.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 69.8 t -69.05 -59.5 5.18 Favored Pre-proline 0 N--CA 1.486 1.367 0 C-N-CA 125.072 1.349 . . . . 1.0 108.877 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -85.32 96.18 0.63 Allowed 'Trans proline' 0 CA--C 1.55 1.295 0 C-N-CA 124.176 3.251 . . . . 1.0 107.187 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 94.9 p -91.6 108.88 20.21 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.188 1.795 . . . . 1.0 113.108 -172.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 9.3 mt -123.3 77.57 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 126.615 1.966 . . . . 1.0 110.836 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -132.86 99.56 4.64 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.182 2.193 . . . . 1.0 108.497 172.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' ASP . . . . . 0.497 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . 46.2 m-20 -130.84 97.71 4.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.219 1.808 . . . . 1.0 111.136 -176.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -154.26 -178.2 6.96 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 127.125 2.17 . . . . 1.0 115.027 -172.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -54.15 26.92 0.01 OUTLIER Glycine 0 N--CA 1.483 1.815 1 C-N-CA 134.685 5.898 . . . . 1.0 119.947 -171.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 6.3 m -95.67 124.88 39.89 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 127.748 2.419 . . . . 1.0 116.117 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -113.16 106.96 15.27 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.34 2.256 . . . . 1.0 109.311 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.15 149.71 12.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.754 1.622 . . . . 1.0 114.358 174.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 150.46 -16.01 0.98 Allowed Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.346 1.927 . . . . 1.0 117.901 171.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.1 27.99 6.4 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 120.261 2.031 . . . . 1.0 114.04 173.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 148' ' ' CYS . . . . . 0.445 ' HB2' HG21 ' A' ' 59' ' ' VAL . 1.6 t -72.85 130.64 40.9 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 129.175 2.99 . . . . 1.0 110.85 -171.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt 177.7 124.84 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 126.709 2.004 . . . . 1.0 115.421 -170.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.419 10.6 tp . . . . . 0 N--CA 1.492 1.625 0 C-N-CA 130.933 3.693 . . . . 1.0 117.125 171.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 tpp . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 111.538 0.199 . . . . 1.0 111.538 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -118.54 122.68 43.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.591 1.956 . . . . 1.0 113.85 172.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.5 m -113.8 116.12 28.86 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.985 0.914 . . . . 1.0 111.599 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.6 t -110.68 124.07 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 127.158 2.183 . . . . 1.0 109.076 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 mt -109.96 126.91 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 128.66 2.784 . . . . 1.0 114.502 -170.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -106.09 115.01 29.5 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.286 1.835 . . . . 1.0 113.084 176.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.65 72.46 0.96 Allowed Glycine 0 CA--C 1.536 1.397 0 N-CA-C 120.465 2.946 . . . . 1.0 120.465 171.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -76.64 32.14 0.13 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 127.977 2.511 . . . . 1.0 111.464 171.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.7 p -114.46 121.92 45.01 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 131.681 3.992 . . . . 1.0 117.184 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.43 -62.56 2.67 Favored Glycine 0 N--CA 1.48 1.601 0 C-N-CA 126.642 2.067 . . . . 1.0 115.996 171.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.583 ' SG ' HG21 ' A' ' 59' ' ' VAL . 11.1 p -69.45 117.38 52.13 Favored Pre-proline 0 CA--C 1.551 1.018 0 N-CA-C 115.532 1.678 . . . . 1.0 115.532 172.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -67.97 -30.79 32.1 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.647 2.898 . . . . 1.0 114.566 -172.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -66.69 -37.89 85.67 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 119.836 1.198 . . . . 1.0 111.14 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.521 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -56.62 -46.38 80.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.413 1.485 . . . . 1.0 112.668 171.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.0 -50.87 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 C-N-CA 124.153 0.981 . . . . 1.0 110.6 171.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -56.68 -41.54 77.48 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.26 0.936 . . . . 1.0 113.172 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.5 -47.39 76.27 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.989 1.715 . . . . 1.0 112.459 172.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -51.67 69.03 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.699 1.599 . . . . 1.0 111.019 171.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.47 -44.52 62.47 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.107 1.763 . . . . 1.0 114.221 173.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.36 -48.52 80.34 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.381 2.272 . . . . 1.0 113.375 172.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.5 95.57 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.885 0.874 . . . . 1.0 112.062 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.05 -43.77 87.04 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.1 1.36 . . . . 1.0 113.028 171.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -53.32 -46.66 69.53 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 129.53 3.132 . . . . 1.0 111.706 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.99 -51.27 59.92 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.372 2.669 . . . . 1.0 113.611 171.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.37 -37.25 80.14 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.927 1.691 . . . . 1.0 113.629 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -66.71 -44.49 81.49 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.537 2.735 . . . . 1.0 113.033 171.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.78 -46.49 75.13 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.361 2.264 . . . . 1.0 111.91 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -115.78 -178.42 3.39 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.696 2.109 . . . . 1.0 116.696 -171.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -106.52 -36.05 6.89 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 127.584 2.354 . . . . 1.0 114.97 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -32.45 73.83 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.286 1.434 . . . . 1.0 113.395 -171.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -97.99 119.72 37.12 Favored 'General case' 0 C--N 1.316 -0.863 1 C-N-CA 132.422 4.289 . . . . 1.0 110.967 -171.228 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -126.63 126.46 43.62 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.95 2.9 . . . . 1.0 110.244 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.0 136.94 47.69 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.249 1.82 . . . . 1.0 114.957 -172.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -129.75 135.01 47.95 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.532 1.933 . . . . 1.0 109.624 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -118.81 123.83 45.73 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.517 1.527 . . . . 1.0 113.693 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.7 t -122.74 115.51 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 128.42 2.688 . . . . 1.0 112.262 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.577 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.316 0.0 OUTLIER -73.1 101.44 3.29 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 116.665 2.098 . . . . 1.0 116.665 173.931 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -70.55 -33.43 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 O-C-N 120.03 -1.669 . . . . 1.0 112.099 172.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -80.68 2.27 26.59 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 126.684 1.994 . . . . 1.0 114.22 172.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -122.71 -46.8 2.11 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.38 -0.825 . . . . 1.0 112.599 171.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.74 -18.25 63.85 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 126.734 2.013 . . . . 1.0 115.183 171.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.53 56.38 2.14 Favored Glycine 0 N--CA 1.478 1.442 0 C-N-CA 127.023 2.249 . . . . 1.0 114.7 175.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.2 mt -132.21 157.62 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 127.654 2.382 . . . . 1.0 111.544 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 t -145.45 164.48 31.43 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.436 2.294 . . . . 1.0 113.959 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -31.08 25.62 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.65 1.58 . . . . 1.0 113.756 171.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -63.38 -39.66 95.13 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 125.544 1.538 . . . . 1.0 111.348 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -70.36 -56.99 5.33 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.67 1.988 . . . . 1.0 111.131 171.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 mt -57.37 -46.36 83.47 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.943 2.497 . . . . 1.0 112.745 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.589 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.8 pt20 -55.43 -35.42 65.41 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.074 1.35 . . . . 1.0 114.077 176.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -81.0 -31.18 34.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.181 1.792 . . . . 1.0 113.222 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -79.47 -25.05 41.99 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 127.11 2.164 . . . . 1.0 114.128 171.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.6 -23.68 19.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 129.493 3.117 . . . . 1.0 116.45 174.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.73 -25.6 1.15 Allowed Glycine 0 CA--C 1.547 2.037 0 C-N-CA 125.633 1.587 . . . . 1.0 114.655 -171.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -66.89 125.97 91.67 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 130.393 3.477 . . . . 1.0 110.446 171.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -71.09 79.54 1.35 Allowed 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 123.741 2.961 . . . . 1.0 110.68 173.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.589 HG22 ' HB3' ' A' ' 49' ' ' GLN . 5.6 m -84.63 141.53 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.562 1.145 . . . . 1.0 113.001 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -124.21 -28.66 3.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.333 2.653 . . . . 1.0 112.655 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.7 p -126.94 -179.56 4.9 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 129.953 3.301 . . . . 1.0 112.886 -172.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.583 HG21 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -101.54 164.98 14.86 Favored Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 128.435 2.694 . . . . 1.0 113.031 172.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.64 168.23 71.3 Favored 'Cis proline' 0 CA--C 1.551 1.365 0 N-CA-C 116.103 1.54 . . . . 1.0 116.103 -1.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.431 HE22 HG11 ' A' ' 56' ' ' VAL . 73.4 mm-40 -135.44 75.01 1.54 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.964 2.906 . . . . 1.0 112.126 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.9 mt -105.65 151.36 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 127.185 2.194 . . . . 1.0 114.421 172.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -129.14 110.39 11.97 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 129.893 3.277 . . . . 1.0 109.759 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.401 HG23 ' HB ' ' A' ' 69' ' ' ILE . 39.8 t -98.29 133.35 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.886 1.674 . . . . 1.0 110.331 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 42.91 31.6 0.34 Allowed 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 130.009 3.324 . . . . 1.0 114.079 -172.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 94.37 3.8 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.742 1 C-N-CA 134.348 5.059 . . . . 1.0 116.935 -178.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.35 145.03 50.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 119.542 -1.974 . . . . 1.0 113.26 -175.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -60.58 114.23 2.87 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.784 1.401 . . . . 1.0 114.784 -172.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.401 ' HB ' HG23 ' A' ' 64' ' ' VAL . 45.7 mm -131.27 97.48 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 128.718 2.807 . . . . 1.0 106.314 171.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -9.29 -62.77 0.01 OUTLIER Glycine 0 CA--C 1.535 1.343 0 C-N-CA 129.831 3.586 . . . . 1.0 118.648 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.415 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 130.2 -144.06 15.33 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 126.25 1.881 . . . . 1.0 111.103 -171.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -33.1 -55.77 0.4 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.901 2.08 . . . . 1.0 112.783 -172.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 t -54.16 -61.75 2.1 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 127.014 2.125 . . . . 1.0 115.032 173.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.415 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -59.86 -58.78 7.09 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 129.238 3.015 . . . . 1.0 111.264 178.137 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -39.16 49.28 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.767 2.827 . . . . 1.0 115.222 172.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.49 66.73 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.76 1.163 . . . . 1.0 110.648 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.22 -36.93 66.51 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.923 1.289 . . . . 1.0 113.721 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -64.94 -53.48 45.68 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.944 2.498 . . . . 1.0 113.439 171.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.8 t -54.86 -48.8 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 125.023 1.329 . . . . 1.0 110.763 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -53.44 -52.14 60.38 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.445 1.898 . . . . 1.0 112.549 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -53.07 -20.11 3.37 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 127.115 2.166 . . . . 1.0 115.417 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -100.02 -59.16 1.76 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.24 2.216 . . . . 1.0 114.185 173.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.28 -63.87 1.31 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 128.198 2.599 . . . . 1.0 113.598 -175.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.12 6.72 1.17 Allowed 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 127.469 2.308 . . . . 1.0 114.868 172.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.204 0 C-N-CA 130.919 3.688 . . . . 1.0 117.262 -171.441 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.164 0 N-CA-C 107.936 -2.065 . . . . 1.0 107.936 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.05 107.54 6.5 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.062 2.145 . . . . 1.0 106.422 171.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -136.98 165.09 26.82 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.644 1.578 . . . . 1.0 113.961 -171.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -139.27 141.38 37.8 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 128.563 2.745 . . . . 1.0 111.597 174.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -97.71 88.61 4.37 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.255 1.422 . . . . 1.0 110.057 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -106.95 97.99 7.7 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.513 1.925 . . . . 1.0 110.584 -172.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -124.32 127.3 47.41 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.368 2.267 . . . . 1.0 111.627 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -89.93 151.47 21.7 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 114.576 1.325 . . . . 1.0 114.576 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.9 101.02 0.23 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.339 2.256 . . . . 1.0 111.682 172.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . 0.294 26.4 m -54.45 -42.05 92.44 Favored Pre-proline 0 N--CA 1.487 1.422 0 CA-C-O 116.48 -1.724 . . . . 1.0 113.417 172.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -80.6 121.96 4.35 Favored 'Trans proline' 0 C--N 1.366 1.452 0 C-N-CA 123.021 2.48 . . . . 1.0 111.521 171.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 4.7 t -91.19 177.04 6.37 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.819 1.648 . . . . 1.0 112.167 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 34.2 mm -78.36 76.01 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 119.853 -1.779 . . . . 1.0 109.593 -176.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -123.62 132.61 53.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 131.673 3.989 . . . . 1.0 112.137 -171.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.58 97.63 9.22 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 106.869 -1.53 . . . . 1.0 106.869 171.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -163.92 -163.64 0.81 Allowed 'General case' 0 CA--C 1.569 1.682 0 C-N-CA 129.218 3.007 . . . . 1.0 114.734 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -52.62 -10.59 0.99 Allowed Glycine 0 CA--C 1.539 1.584 1 C-N-CA 130.726 4.013 . . . . 1.0 120.473 -172.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.2 t -56.93 102.39 0.08 Allowed 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 121.06 2.43 . . . . 1.0 114.935 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -81.72 72.94 8.78 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.587 1.555 . . . . 1.0 112.193 175.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 36.9 t -141.5 149.38 40.83 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.691 1.596 . . . . 1.0 113.834 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 159.99 -9.32 0.15 Allowed Glycine 0 CA--C 1.543 1.802 0 C-N-CA 128.798 3.094 . . . . 1.0 116.566 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 55.44 24.39 6.68 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 128.785 2.834 . . . . 1.0 116.218 171.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.65 142.1 48.3 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 118.182 2.66 . . . . 1.0 118.182 -171.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt 176.92 159.36 0.36 Allowed 'General case' 0 N--CA 1.489 1.491 1 C-N-CA 132.834 4.454 . . . . 1.0 110.289 -172.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.253 5.7 tp . . . . . 0 N--CA 1.495 1.794 0 C-N-CA 126.669 1.988 . . . . 1.0 113.858 175.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 112.213 0.449 . . . . 1.0 112.213 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 121.7 41.33 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.471 1.109 . . . . 1.0 111.016 171.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.0 m -121.3 121.52 37.88 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.927 1.691 . . . . 1.0 113.034 -171.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 t -114.37 128.44 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 126.946 2.099 . . . . 1.0 111.403 -172.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 34' ' ' GLN . 2.4 mp -116.23 119.74 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 127.003 2.121 . . . . 1.0 112.192 -171.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -99.92 95.93 7.22 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.721 2.008 . . . . 1.0 112.129 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.51 69.84 1.37 Allowed Glycine 0 CA--C 1.532 1.1 0 C-N-CA 128.468 2.937 . . . . 1.0 118.493 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -54.11 -43.3 70.31 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 125.338 1.455 . . . . 1.0 112.025 171.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -86.92 131.74 34.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.17 1.788 . . . . 1.0 114.104 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.1 -14.54 5.93 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 128.171 2.796 . . . . 1.0 117.251 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.3 p -162.4 139.73 6.29 Favored Pre-proline 0 CA--C 1.562 1.427 0 C-N-CA 128.064 2.546 . . . . 1.0 113.635 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -65.32 -30.38 53.97 Favored 'Trans proline' 0 CA--C 1.548 1.184 0 C-N-CA 123.958 3.106 . . . . 1.0 114.185 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -60.69 -39.0 86.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.84 1.656 . . . . 1.0 113.471 172.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.614 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.8 t -64.47 -39.57 94.06 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.159 1.17 . . . . 1.0 114.159 173.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.5 t -57.98 -51.81 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 117.114 -1.422 . . . . 1.0 109.002 171.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -56.42 -42.24 77.7 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.987 0.915 . . . . 1.0 113.456 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.99 95.14 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.831 1.252 . . . . 1.0 113.001 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -64.18 -56.57 13.79 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.667 1.587 . . . . 1.0 113.078 171.829 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.93 -37.38 14.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.99 2.516 . . . . 1.0 113.774 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.78 -52.85 63.72 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.717 1.607 . . . . 1.0 113.183 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.45 82.37 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.028 1.331 . . . . 1.0 112.335 172.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.93 -49.1 79.12 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.835 1.254 . . . . 1.0 112.639 171.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tmmt? -54.53 -46.93 73.65 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 126.49 1.916 . . . . 1.0 112.485 172.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.24 -44.06 92.37 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.683 1.993 . . . . 1.0 112.502 171.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -60.32 -44.07 95.8 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.962 1.705 . . . . 1.0 113.568 172.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.58 -46.96 85.91 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 126.116 1.766 . . . . 1.0 111.802 171.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.07 -54.48 33.42 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.065 2.146 . . . . 1.0 111.09 -176.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -100.79 162.73 12.71 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 128.445 2.698 . . . . 1.0 115.505 -172.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -41.06 12.89 Favored 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 126.386 1.874 . . . . 1.0 111.343 171.556 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -53.01 -27.67 20.45 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 130.3 3.44 . . . . 1.0 118.768 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -98.18 110.49 23.06 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 119.797 3.258 . . . . 1.0 119.797 -170.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -103.56 131.62 50.53 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.591 2.756 . . . . 1.0 110.804 171.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.09 136.43 54.15 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.071 2.148 . . . . 1.0 113.175 -175.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.455 ' O ' HD12 ' A' ' 5' ' ' ILE . 29.6 tt0 -129.91 134.33 47.42 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.851 1.66 . . . . 1.0 112.132 -176.155 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -107.23 123.45 48.32 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 128.028 2.531 . . . . 1.0 110.469 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.2 t -128.59 118.8 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 127.026 2.13 . . . . 1.0 110.37 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.565 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -87.76 92.01 8.96 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 119.995 -1.69 . . . . 1.0 114.651 -172.2 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.45 -38.97 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 119.622 -1.924 . . . . 1.0 112.708 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -74.97 -16.29 60.64 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.87 1.268 . . . . 1.0 113.361 174.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.565 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -95.88 -51.99 4.25 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 119.426 1.012 . . . . 1.0 112.792 172.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.8 -9.35 54.32 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 126.677 1.991 . . . . 1.0 116.106 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.26 37.08 6.35 Favored Glycine 0 N--CA 1.483 1.779 0 C-N-CA 126.247 1.88 . . . . 1.0 116.591 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.8 mt -117.34 149.22 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 128.699 2.8 . . . . 1.0 110.002 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -131.96 168.93 17.05 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.051 1.74 . . . . 1.0 115.215 -171.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -44.27 -44.99 8.39 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.461 2.704 . . . . 1.0 112.096 171.535 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -60.22 -36.16 77.08 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.793 1.637 . . . . 1.0 111.747 -178.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -74.93 -50.07 18.03 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.523 1.929 . . . . 1.0 112.015 172.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.21 -45.2 88.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.109 1.764 . . . . 1.0 113.558 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.677 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.1 pt20 -59.02 -31.37 68.77 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.624 1.342 . . . . 1.0 114.624 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -77.26 -47.23 20.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.309 1.844 . . . . 1.0 111.312 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -42.02 76.01 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.879 1.272 . . . . 1.0 112.28 171.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.12 -21.91 60.65 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.132 2.573 . . . . 1.0 116.331 174.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.01 26.28 58.02 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-N 119.291 0.951 . . . . 1.0 112.884 -171.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -139.59 120.35 9.49 Favored Pre-proline 0 N--CA 1.481 1.102 0 C-N-CA 130.883 3.673 . . . . 1.0 108.981 -171.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.49 75.39 1.99 Allowed 'Trans proline' 0 CA--C 1.55 1.284 0 C-N-CA 124.673 3.582 . . . . 1.0 113.814 -172.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.677 HG22 ' HB3' ' A' ' 49' ' ' GLN . 12.4 m -71.19 149.45 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 125.319 1.448 . . . . 1.0 113.257 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 15.4 tp10 -131.79 -21.16 2.48 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 126.689 1.995 . . . . 1.0 113.977 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.7 p -140.11 -179.36 5.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 130.71 3.604 . . . . 1.0 112.797 -173.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.59 154.71 38.42 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 127.759 2.424 . . . . 1.0 111.702 171.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.19 166.67 82.6 Favored 'Cis proline' 0 CA--C 1.544 0.994 0 N-CA-C 116.066 1.526 . . . . 1.0 116.066 7.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.443 HE22 HG11 ' A' ' 56' ' ' VAL . 79.4 mm-40 -134.82 76.32 1.62 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.176 2.19 . . . . 1.0 112.56 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.4 mt -111.75 151.21 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 128.819 2.848 . . . . 1.0 114.535 174.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -130.69 110.36 11.31 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.696 2.398 . . . . 1.0 109.056 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.5 t -93.87 138.83 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.768 1.627 . . . . 1.0 109.224 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.304 6.7 p-10 41.66 31.43 0.2 Allowed 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 127.491 2.316 . . . . 1.0 115.168 -171.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.255 60.7 mm-40 74.21 9.44 4.52 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 129.992 3.317 . . . . 1.0 117.07 -174.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -107.71 146.65 31.8 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 128.041 2.536 . . . . 1.0 112.136 172.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -64.96 115.89 5.84 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.857 -1.152 . . . . 1.0 113.327 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.6 mm -133.04 94.68 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 129.134 2.974 . . . . 1.0 104.555 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.57 -58.5 0.01 OUTLIER Glycine 0 N--CA 1.475 1.257 0 C-N-CA 128.99 3.186 . . . . 1.0 116.42 -172.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.77 -142.08 13.53 Favored Glycine 0 C--O 1.218 -0.864 0 C-N-CA 127.303 2.383 . . . . 1.0 111.517 -173.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -32.29 -51.08 0.25 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 127.164 2.186 . . . . 1.0 114.312 -175.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 74' ' ' ASP . 8.8 t -60.65 -61.47 2.56 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 121.164 1.802 . . . . 1.0 115.019 171.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' H ' HG23 ' A' ' 73' ' ' THR . 1.3 m-20 -62.2 -57.38 11.7 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 130.153 3.381 . . . . 1.0 110.67 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -37.62 62.99 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.147 2.579 . . . . 1.0 114.36 171.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.8 -41.43 91.91 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.252 1.387 . . . . 1.0 111.996 171.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.95 97.67 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.382 1.073 . . . . 1.0 111.273 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -57.28 -53.19 60.88 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.057 2.143 . . . . 1.0 111.175 171.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.3 t -51.55 -52.76 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.845 2.058 . . . . 1.0 111.983 172.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -53.01 59.08 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 120.535 1.516 . . . . 1.0 111.707 172.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.47 -13.37 3.52 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 127.863 2.465 . . . . 1.0 115.553 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -100.37 -59.33 1.73 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 128.171 2.588 . . . . 1.0 112.849 171.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.6 mt -72.74 -62.37 1.48 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.651 2.381 . . . . 1.0 112.981 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.08 0.56 9.23 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.114 2.566 . . . . 1.0 115.367 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.451 0 C-N-CA 129.949 3.299 . . . . 1.0 114.856 172.444 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 107.966 -2.053 . . . . 1.0 107.966 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.01 107.57 6.52 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.705 2.002 . . . . 1.0 106.43 171.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -137.2 170.43 16.11 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.491 1.917 . . . . 1.0 113.53 -171.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -100.29 132.45 45.66 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.886 1.674 . . . . 1.0 111.333 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -103.94 89.16 3.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.818 1.647 . . . . 1.0 110.684 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -106.83 98.45 8.11 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.051 1.74 . . . . 1.0 112.002 -172.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -100.81 161.15 13.79 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.676 2.79 . . . . 1.0 116.614 -171.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -116.91 171.89 7.61 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 128.489 2.716 . . . . 1.0 115.676 -175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.662 HD13 ' H ' ' B' ' 134' ' ' LEU . 0.0 OUTLIER -54.59 98.44 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 128.578 2.751 . . . . 1.0 114.964 177.799 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 135' ' ' VAL . . . . . 0.615 ' H ' ' HD2' ' B' ' 136' ' ' PRO 0.322 3.8 m -137.4 -42.08 0.02 OUTLIER Pre-proline 0 N--CA 1.493 1.702 0 C-N-CA 127.458 2.303 . . . . 1.0 113.568 171.484 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 136' ' ' PRO . . . . . 0.615 ' HD2' ' H ' ' B' ' 135' ' ' VAL . 10.1 Cg_endo -56.45 -37.23 97.6 Favored 'Trans proline' 0 C--N 1.372 1.776 0 CA-C-N 123.221 2.186 . . . . 1.0 111.52 171.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 60.8 m -138.23 107.86 6.23 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.085 2.154 . . . . 1.0 110.035 171.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 8.8 tt -108.66 6.62 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 C-N-CA 127.336 2.254 . . . . 1.0 114.789 -177.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -48.24 125.66 9.76 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.407 1.883 . . . . 1.0 113.048 172.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -105.52 97.74 7.53 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.095 0.958 . . . . 1.0 112.604 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.267 24.1 p30 -160.68 13.18 0.11 Allowed 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 117.578 2.436 . . . . 1.0 117.578 173.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -158.54 72.51 0.23 Allowed Glycine 0 N--CA 1.48 1.626 0 O-C-N 119.838 -1.789 . . . . 1.0 115.834 -174.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 2.9 t -132.16 100.55 5.07 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 126.081 1.752 . . . . 1.0 112.775 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.28 -1.79 12.83 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.587 2.44 . . . . 1.0 117.587 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 26.7 t -123.45 160.13 27.53 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.089 1.756 . . . . 1.0 113.854 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 156.24 -6.38 0.23 Allowed Glycine 0 CA--C 1.542 1.729 0 N-CA-C 117.651 1.82 . . . . 1.0 117.651 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.37 18.02 1.22 Allowed 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 128.499 2.72 . . . . 1.0 116.346 172.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 53.7 t -73.87 123.86 25.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 130.848 3.659 . . . . 1.0 116.028 -171.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.81 -176.75 0.14 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 130.181 3.392 . . . . 1.0 113.637 175.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.499 2.024 0 C-N-CA 127.486 2.314 . . . . 1.0 115.104 174.622 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 tpp . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.535 0.683 . . . . 1.0 111.574 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.79 122.11 41.64 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.057 2.143 . . . . 1.0 111.297 176.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.3 m -117.74 114.09 22.81 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 126.41 1.884 . . . . 1.0 110.952 -172.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 t -110.92 129.38 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 127.141 2.176 . . . . 1.0 110.252 -173.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 mt -113.47 127.37 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 127.666 2.386 . . . . 1.0 110.814 -171.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -115.69 96.17 5.49 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.372 1.469 . . . . 1.0 112.145 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.68 28.6 5.91 Favored Glycine 0 N--CA 1.48 1.616 0 N-CA-C 121.53 3.372 . . . . 1.0 121.53 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -54.47 34.5 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 119.69 1.745 . . . . 1.0 112.354 177.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -71.24 59.84 0.27 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 125.927 1.691 . . . . 1.0 112.912 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.98 -61.34 0.02 OUTLIER Glycine 0 CA--C 1.539 1.549 0 C-N-CA 128.79 3.09 . . . . 1.0 113.938 -172.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.479 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.8 p -132.37 132.07 22.67 Favored Pre-proline 0 CA--C 1.562 1.414 0 C-N-CA 126.246 1.819 . . . . 1.0 115.746 -172.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -49.0 -40.71 40.86 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 125.293 3.995 . . . . 1.0 116.552 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.1 -39.16 88.92 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.677 1.126 . . . . 1.0 113.514 176.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.479 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.4 t -64.26 -40.06 95.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.287 1.435 . . . . 1.0 111.639 171.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.44 -51.97 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.589 1.156 . . . . 1.0 112.876 171.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -52.84 -41.33 64.15 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 120.189 1.359 . . . . 1.0 111.961 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -64.81 -44.15 90.83 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 125.298 1.439 . . . . 1.0 114.315 171.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmpt? -58.63 -54.42 47.32 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 127.134 2.174 . . . . 1.0 112.736 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.47 -44.61 65.68 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.625 2.77 . . . . 1.0 112.383 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.62 -50.23 74.33 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.039 1.335 . . . . 1.0 112.467 171.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.0 -43.46 77.69 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.646 1.178 . . . . 1.0 113.278 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.88 -47.83 84.18 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.833 1.653 . . . . 1.0 113.125 171.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -54.0 -46.7 71.81 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 127.369 2.268 . . . . 1.0 112.172 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -57.29 -55.03 40.07 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.295 2.238 . . . . 1.0 112.694 172.071 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 t -59.7 -31.73 69.85 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 114.593 1.331 . . . . 1.0 114.593 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.26 -47.27 71.23 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 126.854 2.062 . . . . 1.0 109.834 170.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -66.11 -32.65 74.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.058 2.543 . . . . 1.0 113.743 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.429 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -139.78 163.86 31.5 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 116.671 2.1 . . . . 1.0 116.671 176.479 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -98.11 -13.46 20.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.459 2.303 . . . . 1.0 113.603 171.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -42.65 61.43 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.115 2.166 . . . . 1.0 111.743 171.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CD2' HD12 ' A' ' 24' ' ' LEU . 20.7 t80 -98.35 142.22 30.26 Favored 'General case' 0 CA--C 1.552 1.056 1 C-N-CA 132.193 4.197 . . . . 1.0 114.301 -172.152 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -133.04 131.1 40.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.891 2.476 . . . . 1.0 111.558 172.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 135.91 49.3 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.544 1.538 . . . . 1.0 113.031 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.17 140.45 50.76 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.212 1.805 . . . . 1.0 111.204 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -123.76 123.43 40.48 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.162 1.785 . . . . 1.0 113.525 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.03 119.1 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 129.704 3.202 . . . . 1.0 111.074 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.667 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -73.66 107.23 5.79 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.162 1.912 . . . . 1.0 116.162 173.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 48' ' ' LEU . 2.3 pp -77.9 -35.44 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 120.687 -1.258 . . . . 1.0 112.044 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -65.27 -37.41 87.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.152 1.381 . . . . 1.0 111.4 171.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -85.16 -47.94 9.64 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.27 0.841 . . . . 1.0 113.27 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.29 -8.6 26.03 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.641 1.719 . . . . 1.0 115.641 172.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.3 58.01 3.03 Favored Glycine 0 N--CA 1.484 1.891 0 C-N-CA 127.343 2.401 . . . . 1.0 115.004 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.1 mt -136.02 156.23 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 129.585 3.154 . . . . 1.0 111.994 -171.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 t -131.35 170.07 15.14 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.631 2.772 . . . . 1.0 112.79 -177.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -59.63 -30.0 68.41 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.308 -1.495 . . . . 1.0 114.015 172.433 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -57.13 -51.67 68.36 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.994 1.27 . . . . 1.0 111.508 171.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -57.14 -48.99 77.3 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.258 2.223 . . . . 1.0 112.099 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 38' ' ' ILE . 19.1 mt -66.56 -16.55 64.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.831 1.652 . . . . 1.0 114.868 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.443 ' CB ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -85.18 -47.71 9.85 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.253 1.421 . . . . 1.0 108.254 171.034 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -57.34 -66.12 0.51 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 128.756 2.822 . . . . 1.0 113.554 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -53.04 -15.21 0.75 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 126.747 2.019 . . . . 1.0 115.708 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.67 -21.27 11.33 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.826 2.85 . . . . 1.0 117.144 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.94 2.31 12.28 Favored Glycine 0 CA--C 1.55 2.264 0 C-N-CA 124.997 1.284 . . . . 1.0 115.116 -171.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -85.29 125.87 68.75 Favored Pre-proline 0 N--CA 1.488 1.428 0 C-N-CA 130.419 3.488 . . . . 1.0 110.707 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -78.5 64.92 8.62 Favored 'Trans proline' 0 CA--C 1.552 1.399 0 C-N-CA 123.822 3.015 . . . . 1.0 112.63 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.443 HG22 ' CB ' ' A' ' 49' ' ' GLN . 3.2 m -73.55 150.65 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 124.862 1.265 . . . . 1.0 113.888 -179.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -130.05 -37.13 1.5 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 127.265 2.226 . . . . 1.0 112.964 172.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . 0.303 19.5 p -130.69 -178.29 4.73 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 127.089 2.156 . . . . 1.0 115.008 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.83 161.7 37.87 Favored Pre-proline 0 N--CA 1.493 1.706 0 C-N-CA 126.924 2.09 . . . . 1.0 112.573 175.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.04 168.22 60.11 Favored 'Cis proline' 0 CA--C 1.553 1.438 0 N-CA-C 115.654 1.367 . . . . 1.0 115.654 0.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.437 HE22 HG11 ' A' ' 56' ' ' VAL . 83.4 mm-40 -137.87 72.05 1.41 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.598 2.359 . . . . 1.0 111.844 -173.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.498 HD12 ' HB1' ' A' ' 17' ' ' ALA . 8.9 mt -113.95 151.62 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 127.386 2.274 . . . . 1.0 114.573 176.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -119.83 118.26 30.32 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.152 2.181 . . . . 1.0 107.928 175.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.6 t -104.56 126.91 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 124.909 1.284 . . . . 1.0 109.055 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 44.54 53.42 7.08 Favored 'General case' 0 CA--C 1.572 1.816 0 C-N-CA 127.762 2.425 . . . . 1.0 110.916 -171.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.15 10.55 0.63 Allowed 'General case' 0 CA--C 1.566 1.585 1 C-N-CA 132.269 4.228 . . . . 1.0 116.205 -171.847 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -104.87 114.83 29.27 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 128.247 2.619 . . . . 1.0 110.552 -175.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.96 107.82 1.99 Allowed 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.673 -1.267 . . . . 1.0 112.149 -174.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.5 mm -97.01 173.85 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.008 1 C-N-CA 132.773 4.429 . . . . 1.0 108.877 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.63 -71.75 1.01 Allowed Glycine 0 CA--C 1.536 1.4 0 O-C-N 118.859 -2.401 . . . . 1.0 109.629 171.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.08 -131.99 5.66 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 127.007 2.241 . . . . 1.0 109.314 -171.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -32.3 -53.44 0.3 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.86 2.464 . . . . 1.0 114.887 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -60.9 -55.67 30.29 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 115.017 1.488 . . . . 1.0 115.017 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -69.75 -51.4 34.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 129.07 2.948 . . . . 1.0 112.585 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -51.05 -45.32 61.31 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 130.38 3.472 . . . . 1.0 112.978 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.95 -50.79 72.18 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.478 1.511 . . . . 1.0 112.529 171.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.41 96.7 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 125.488 1.515 . . . . 1.0 113.778 172.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -56.71 -53.27 59.65 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 128.073 2.549 . . . . 1.0 112.049 171.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.0 t -52.04 -50.12 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 125.664 1.586 . . . . 1.0 111.118 171.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -56.94 -48.06 79.2 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.619 1.168 . . . . 1.0 113.48 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -12.93 7.14 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 127.009 2.123 . . . . 1.0 116.156 171.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -99.73 -57.88 2.04 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 127.733 2.413 . . . . 1.0 112.305 171.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.8 mt -81.76 -55.8 4.4 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 127.816 2.447 . . . . 1.0 114.925 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -71.48 1.86 5.85 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.385 1.474 . . . . 1.0 114.977 172.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 C-N-CA 130.377 3.471 . . . . 1.0 117.077 -172.048 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 107.674 -2.171 . . . . 1.0 107.674 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.97 107.59 6.55 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.941 2.096 . . . . 1.0 106.09 171.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -136.78 121.47 18.53 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.522 1.529 . . . . 1.0 111.893 -171.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -131.35 140.56 49.74 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.81 2.044 . . . . 1.0 113.706 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -97.79 97.54 9.07 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.282 1.833 . . . . 1.0 107.79 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -106.29 117.43 34.01 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.947 1.699 . . . . 1.0 112.258 -171.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.98 160.88 16.03 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 128.037 2.535 . . . . 1.0 113.903 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -50.33 152.57 1.77 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.361 1.864 . . . . 1.0 114.41 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -49.78 110.48 0.39 Allowed 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 115.813 1.782 . . . . 1.0 115.813 -171.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 9.5 p -71.86 -31.04 1.64 Allowed Pre-proline 0 N--CA 1.489 1.484 0 N-CA-C 116.591 2.071 . . . . 1.0 116.591 172.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -65.51 -12.24 34.08 Favored 'Trans proline' 0 C--N 1.366 1.471 0 CA-C-N 123.348 2.231 . . . . 1.0 116.84 -172.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 46.3 t -91.71 108.94 20.27 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.303 1.441 . . . . 1.0 113.294 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' ILE . . . . . 0.428 HD13 ' H ' ' B' ' 138' ' ' ILE . 0.0 OUTLIER -79.01 104.66 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 126.465 1.906 . . . . 1.0 113.803 -176.636 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -147.55 99.31 3.1 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.876 2.87 . . . . 1.0 106.044 171.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -101.29 97.62 8.1 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.748 -1.575 . . . . 1.0 106.748 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -153.83 162.02 41.58 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 118.12 2.637 . . . . 1.0 118.12 -170.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 49.38 -7.87 0.01 OUTLIER Glycine 0 N--CA 1.482 1.711 1 C-N-CA 134.475 5.798 . . . . 1.0 122.773 171.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.3 t -91.86 95.24 9.73 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 118.236 2.68 . . . . 1.0 118.236 -172.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -93.52 83.24 4.48 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.663 -1.606 . . . . 1.0 106.663 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 11.5 p -159.58 146.9 16.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.317 2.247 . . . . 1.0 114.085 -173.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 149.86 -7.76 0.8 Allowed Glycine 0 N--CA 1.477 1.402 0 N-CA-C 119.335 2.494 . . . . 1.0 119.335 171.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.24 21.15 2.94 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 116.629 2.085 . . . . 1.0 116.629 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.03 129.89 38.75 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 128.346 2.658 . . . . 1.0 114.216 -172.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt 176.56 119.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 130.457 3.503 . . . . 1.0 110.248 -172.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.33 7.9 tp . . . . . 0 N--CA 1.497 1.901 0 C-N-CA 127.328 2.251 . . . . 1.0 114.053 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.529 0.204 . . . . 1.0 111.288 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -118.6 115.68 25.06 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.334 2.254 . . . . 1.0 112.368 172.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 94.6 m -110.53 116.86 32.12 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.387 1.875 . . . . 1.0 109.889 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.95 121.27 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 128.068 2.547 . . . . 1.0 109.329 -172.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 34' ' ' GLN . 3.3 mp -109.01 136.22 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.852 1.661 . . . . 1.0 111.718 -172.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -116.07 111.53 20.43 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.825 1.25 . . . . 1.0 112.372 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.5 24.19 26.77 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 121.83 3.492 . . . . 1.0 121.83 172.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -52.1 -51.65 56.4 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.929 2.092 . . . . 1.0 114.162 -172.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.8 m -63.81 -0.19 0.99 Allowed 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 116.159 1.911 . . . . 1.0 116.159 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.24 -13.31 39.46 Favored Glycine 0 CA--C 1.544 1.859 0 N-CA-C 117.831 1.892 . . . . 1.0 117.831 174.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 12.3 p -167.4 139.48 2.65 Favored Pre-proline 0 CA--C 1.563 1.446 0 N-CA-C 116.994 2.22 . . . . 1.0 116.994 -172.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.11 -33.22 32.2 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 125.15 3.9 . . . . 1.0 115.672 -172.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -66.13 -38.92 89.34 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 120.34 1.427 . . . . 1.0 111.42 172.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.478 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 4.6 t -59.09 -40.23 84.65 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.806 1.242 . . . . 1.0 111.678 171.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.77 -52.4 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 116.133 -1.889 . . . . 1.0 111.085 171.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -59.59 -42.09 91.76 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 120.537 1.517 . . . . 1.0 112.517 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.81 88.08 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.219 1.408 . . . . 1.0 113.806 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -63.66 -54.41 36.09 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.284 1.433 . . . . 1.0 112.04 172.04 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.07 -38.15 36.95 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.319 2.647 . . . . 1.0 113.079 175.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.58 -51.82 68.18 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 126.411 1.885 . . . . 1.0 112.221 171.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.57 97.84 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.549 1.14 . . . . 1.0 113.606 172.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.82 -45.47 89.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.683 1.593 . . . . 1.0 112.894 172.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -55.12 -50.09 70.1 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 128.32 2.648 . . . . 1.0 112.293 171.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.74 -53.21 60.65 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.953 2.101 . . . . 1.0 112.47 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 t -58.81 -34.99 72.15 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.983 1.713 . . . . 1.0 114.28 173.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -43.91 81.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.207 2.203 . . . . 1.0 112.784 171.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -66.92 -50.68 61.63 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.927 2.091 . . . . 1.0 111.924 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.335 18.1 mtm105 -91.93 -165.65 1.39 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 116.073 1.879 . . . . 1.0 116.073 -171.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -128.56 -5.07 5.29 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.943 2.497 . . . . 1.0 117.36 -171.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -134.0 -15.4 2.31 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 119.093 2.997 . . . . 1.0 119.093 -170.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -97.42 115.09 27.09 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.4 3.08 . . . . 1.0 110.875 -170.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -98.72 132.53 44.03 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 131.088 3.755 . . . . 1.0 113.165 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.06 135.65 54.5 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 127.722 2.409 . . . . 1.0 113.989 -175.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.469 ' O ' HD12 ' A' ' 5' ' ' ILE . 6.1 tt0 -133.2 149.3 52.03 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 127.663 2.385 . . . . 1.0 113.254 175.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -126.22 123.54 38.41 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.864 1.666 . . . . 1.0 112.868 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -112.87 120.52 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 130.342 3.457 . . . . 1.0 111.343 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.52 86.94 7.35 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 119.594 -1.941 . . . . 1.0 112.497 -173.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -72.15 -39.94 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 119.515 -1.991 . . . . 1.0 110.687 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -7.86 53.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 128.076 2.55 . . . . 1.0 113.638 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.39 -41.31 2.85 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.826 1.417 . . . . 1.0 114.826 172.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -66.23 -24.04 66.53 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.783 1.633 . . . . 1.0 114.734 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.58 29.71 2.61 Favored Glycine 0 N--CA 1.484 1.849 0 N-CA-C 117.721 1.848 . . . . 1.0 117.721 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.4 mt -118.39 159.95 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 128.877 2.871 . . . . 1.0 112.359 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 t -133.95 165.26 25.43 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 127.261 2.224 . . . . 1.0 115.022 -171.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HE2' ' OE2' ' A' ' 46' ' ' GLU 0.263 0.1 OUTLIER -58.85 -25.49 63.31 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.981 1.312 . . . . 1.0 114.43 172.05 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' OE2' ' HE2' ' A' ' 45' ' ' LYS . 8.6 mp0 -61.64 -49.64 75.74 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.644 1.577 . . . . 1.0 110.656 171.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.3 -39.44 86.95 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 127.308 2.243 . . . . 1.0 113.891 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -73.77 -49.55 24.9 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 128.057 2.543 . . . . 1.0 113.195 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.906 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.9 pt20 -50.55 -32.63 19.02 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 121.352 1.887 . . . . 1.0 113.776 175.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -71.73 -67.17 0.55 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.014 2.126 . . . . 1.0 113.455 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -60.52 -13.66 15.19 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 126.5 1.92 . . . . 1.0 115.666 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.79 -22.7 16.79 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 129.377 3.071 . . . . 1.0 116.544 171.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.11 -31.49 0.94 Allowed Glycine 0 CA--C 1.548 2.12 0 C-N-CA 125.937 1.732 . . . . 1.0 113.554 -171.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -53.77 120.57 23.82 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 131.567 3.947 . . . . 1.0 111.871 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -76.34 68.72 6.75 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.772 2.981 . . . . 1.0 112.301 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.906 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.3 m -79.92 156.71 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 124.992 1.317 . . . . 1.0 113.788 -175.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -138.52 -40.76 0.5 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 127.234 2.213 . . . . 1.0 112.052 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 47.6 p -109.99 -179.06 3.69 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.926 2.49 . . . . 1.0 113.528 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.42 158.31 38.93 Favored Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 125.679 1.592 . . . . 1.0 110.032 171.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.18 169.71 73.05 Favored 'Cis proline' 0 CA--C 1.545 1.032 0 N-CA-C 115.124 1.163 . . . . 1.0 115.124 4.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.564 HE22 HG11 ' A' ' 56' ' ' VAL . 97.0 mm-40 -135.44 67.98 1.47 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 128.306 2.642 . . . . 1.0 110.714 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.5 mt -99.51 151.43 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 126.554 1.941 . . . . 1.0 113.95 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -123.32 117.76 25.99 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.821 2.448 . . . . 1.0 109.234 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.5 t -107.22 128.11 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 125.164 1.386 . . . . 1.0 108.818 175.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 47.19 45.75 16.35 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 127.619 2.368 . . . . 1.0 112.048 -171.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.267 2.0 tm0? 70.64 9.06 6.79 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 130.764 3.626 . . . . 1.0 117.377 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.82 151.65 40.38 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.475 1.91 . . . . 1.0 112.133 172.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -73.84 107.76 6.26 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.319 1.97 . . . . 1.0 116.319 -171.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.6 mm -108.9 102.03 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 128.762 2.825 . . . . 1.0 103.996 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -18.62 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.481 1.678 0 C-N-CA 127.453 2.454 . . . . 1.0 116.09 -171.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.55 -137.72 8.72 Favored Glycine 0 C--O 1.219 -0.81 0 C-N-CA 127.574 2.512 . . . . 1.0 107.856 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -33.62 -54.84 0.45 Allowed 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 127.505 2.322 . . . . 1.0 111.225 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.583 HG21 ' HB3' ' B' ' 144' ' ' GLU . 1.6 t -50.28 -61.29 2.26 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 128.72 2.808 . . . . 1.0 116.719 171.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.14 -44.61 68.54 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.083 2.553 . . . . 1.0 113.384 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.33 -52.73 64.18 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 130.705 3.602 . . . . 1.0 113.273 173.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.62 -46.89 80.67 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.573 1.549 . . . . 1.0 112.681 172.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.89 98.03 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.235 1.014 . . . . 1.0 113.182 172.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -59.95 -53.59 56.03 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.96 1.704 . . . . 1.0 112.221 172.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -51.89 -50.97 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 127.413 2.285 . . . . 1.0 111.445 172.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -56.68 -56.74 17.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.269 1.428 . . . . 1.0 112.627 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -13.25 3.4 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 127.016 2.126 . . . . 1.0 115.022 173.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -100.0 -60.01 1.61 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.479 1.912 . . . . 1.0 114.526 171.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.12 -60.02 2.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.837 2.855 . . . . 1.0 113.179 -173.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -72.73 -14.89 61.65 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 115.256 1.576 . . . . 1.0 115.256 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.322 0 C-N-CA 131.524 3.929 . . . . 1.0 115.468 176.587 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.216 0 N-CA-C 109.179 -1.568 . . . . 1.0 109.179 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.27 107.33 6.34 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.362 1.465 . . . . 1.0 108.028 171.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -136.81 118.84 15.35 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.662 1.985 . . . . 1.0 109.86 -173.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -101.3 126.89 48.09 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.76 2.133 . . . . 1.0 116.76 -171.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -140.97 88.56 2.18 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.899 2.48 . . . . 1.0 110.424 171.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -125.99 98.42 5.5 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.069 1.348 . . . . 1.0 111.225 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -127.81 88.68 2.81 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.602 1.561 . . . . 1.0 114.42 -171.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -51.8 123.31 9.9 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 126.397 1.879 . . . . 1.0 113.376 175.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 134' ' ' LEU . . . . . 0.576 ' H ' HD23 ' B' ' 134' ' ' LEU . 0.8 OUTLIER -79.35 97.46 6.33 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 123.766 0.827 . . . . 1.0 112.094 176.455 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.5 m -72.72 -28.58 1.03 Allowed Pre-proline 0 N--CA 1.489 1.499 0 N-CA-C 117.257 2.317 . . . . 1.0 117.257 172.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.32 110.34 2.65 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 123.191 2.594 . . . . 1.0 110.694 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 2.8 p -91.35 107.63 19.34 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.046 1.338 . . . . 1.0 111.275 -173.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 15.2 pt -135.28 -45.02 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 127.835 2.454 . . . . 1.0 111.704 172.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.76 117.12 2.49 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.992 1.269 . . . . 1.0 112.029 172.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.63 96.09 3.88 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 124.235 1.969 . . . . 1.0 112.931 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.376 5.7 t70 -165.44 -111.74 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.069 1 C-N-CA 132.907 4.483 . . . . 1.0 110.047 170.712 . . . . . . . . 3 2 . 1 . 019 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -59.82 19.18 0.03 OUTLIER Glycine 0 CA--C 1.545 1.93 1 C-N-CA 133.532 5.349 . . . . 1.0 117.764 171.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.92 108.15 0.48 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 128.855 2.862 . . . . 1.0 115.747 -177.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 144' ' ' GLU . . . . . 0.583 ' HB3' HG21 ' A' ' 73' ' ' THR 0.264 4.2 pt-20 -134.96 62.83 1.63 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 127.489 2.316 . . . . 1.0 113.14 171.798 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.11 143.89 42.77 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.78 1.632 . . . . 1.0 115.358 174.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 158.83 -14.3 0.23 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 127.306 2.384 . . . . 1.0 116.919 171.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 52.91 19.65 1.39 Allowed 'General case' 0 CA--C 1.57 1.726 0 C-N-CA 127.573 2.349 . . . . 1.0 114.681 177.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 11.3 t -73.71 135.25 43.64 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 131.522 3.929 . . . . 1.0 115.647 -171.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt 177.31 163.43 0.53 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 131.106 3.762 . . . . 1.0 110.778 -171.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.491 1.609 0 C-N-CA 124.296 1.039 . . . . 1.0 113.019 171.63 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 121.964 0.887 . . . . 1.0 111.583 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.07 121.53 40.04 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.907 2.083 . . . . 1.0 111.311 174.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 m -117.98 113.5 21.77 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 125.972 1.709 . . . . 1.0 111.351 -172.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 t -110.53 135.88 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 126.764 2.025 . . . . 1.0 112.094 -171.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mt -118.03 123.26 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 128.063 2.545 . . . . 1.0 111.117 -171.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.4 ' HB3' HG21 ' A' ' 38' ' ' ILE . 95.8 m-85 -112.32 103.44 11.57 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.782 2.033 . . . . 1.0 111.739 -173.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.67 72.99 1.13 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.352 1.929 . . . . 1.0 117.244 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -83.62 -46.29 12.52 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.93 1.292 . . . . 1.0 112.583 171.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -63.86 87.37 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 130.375 3.47 . . . . 1.0 112.324 -171.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.41 -13.25 6.26 Favored Glycine 0 CA--C 1.543 1.82 0 C-N-CA 126.543 2.02 . . . . 1.0 117.478 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 11.6 p -135.2 119.76 13.52 Favored Pre-proline 0 CA--C 1.554 1.132 0 CA-C-N 120.396 2.098 . . . . 1.0 116.013 172.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -68.6 -26.05 34.01 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 123.961 3.107 . . . . 1.0 114.593 -171.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -68.53 -38.72 81.1 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.701 0.8 . . . . 1.0 112.84 172.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.452 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 3.3 t -60.22 -41.29 92.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.72 1.208 . . . . 1.0 110.547 171.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.8 -50.7 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-O 116.168 -1.872 . . . . 1.0 111.019 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -49.24 -42.28 40.18 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 121.78 2.082 . . . . 1.0 112.116 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -65.7 -45.2 83.65 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 126.221 1.808 . . . . 1.0 114.503 174.138 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -55.51 33.71 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 127.46 2.304 . . . . 1.0 111.798 171.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -52.34 -44.35 65.12 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.533 2.733 . . . . 1.0 112.31 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.26 -50.17 72.79 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.957 1.703 . . . . 1.0 113.709 172.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.76 -45.03 74.16 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.036 0.934 . . . . 1.0 111.871 172.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.71 -44.2 96.87 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.477 1.911 . . . . 1.0 112.47 171.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -53.54 -50.86 64.6 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 128.195 2.598 . . . . 1.0 110.85 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.65 -47.14 87.57 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.85 2.06 . . . . 1.0 113.977 171.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.1 -48.56 70.59 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.58 1.552 . . . . 1.0 113.568 175.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -66.63 -45.3 79.5 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 129.614 3.166 . . . . 1.0 113.63 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -64.82 -35.02 79.77 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.889 1.675 . . . . 1.0 113.044 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.299 10.1 mtm105 -108.59 -177.73 3.4 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.871 2.069 . . . . 1.0 113.407 -178.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -113.3 -28.88 7.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 129.057 2.943 . . . . 1.0 116.365 -170.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.63 -15.15 15.37 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 116.851 2.167 . . . . 1.0 116.851 -171.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.38 123.97 41.39 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 129.752 3.221 . . . . 1.0 110.503 -171.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -123.57 131.65 53.68 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.744 2.018 . . . . 1.0 111.827 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -108.71 136.26 48.58 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 127.05 2.14 . . . . 1.0 113.881 -172.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.68 133.74 47.25 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.42 1.488 . . . . 1.0 111.415 -173.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -115.66 123.9 49.53 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.694 1.997 . . . . 1.0 114.931 -176.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -126.47 115.71 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 129.274 3.03 . . . . 1.0 112.934 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.61 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.431 0.0 OUTLIER -78.06 88.87 4.18 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 115.787 1.773 . . . . 1.0 115.787 171.253 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.4 HG21 ' HB3' ' A' ' 6' ' ' PHE . 2.3 pp -60.25 -38.05 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.522 1.529 . . . . 1.0 110.234 171.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -9.64 57.31 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 129.506 3.122 . . . . 1.0 114.413 174.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -122.31 -45.14 2.23 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 114.1 1.148 . . . . 1.0 114.1 175.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -63.22 -31.65 72.85 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 127.979 2.511 . . . . 1.0 114.056 172.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.98 63.12 0.68 Allowed Glycine 0 N--CA 1.484 1.891 0 C-N-CA 126.4 1.952 . . . . 1.0 114.168 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.2 mp -143.72 159.15 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 129.492 3.117 . . . . 1.0 108.709 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -150.29 169.94 20.18 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.668 1.187 . . . . 1.0 114.148 -171.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -33.41 22.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.898 2.479 . . . . 1.0 114.288 171.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -59.94 -32.64 70.98 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.974 1.709 . . . . 1.0 111.868 171.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.61 -57.39 3.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.804 2.042 . . . . 1.0 111.346 172.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.2 mt -54.93 -38.45 67.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.441 1.896 . . . . 1.0 112.995 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.617 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.5 pt20 -64.3 -45.94 85.79 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.5 1.52 . . . . 1.0 112.704 171.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -61.56 -40.45 94.76 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.911 1.684 . . . . 1.0 111.891 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -64.7 -48.01 76.27 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 126.708 2.003 . . . . 1.0 112.406 171.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.85 -22.98 58.37 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.742 2.417 . . . . 1.0 116.996 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.54 -33.04 1.61 Allowed Glycine 0 CA--C 1.545 1.919 0 C-N-CA 125.496 1.522 . . . . 1.0 112.953 -171.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HE3' HG12 ' A' ' 56' ' ' VAL . 38.1 tttp -68.19 118.39 58.51 Favored Pre-proline 0 N--CA 1.482 1.165 0 C-N-CA 128.524 2.73 . . . . 1.0 108.615 171.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.09 56.86 0.05 OUTLIER 'Trans proline' 0 CA--C 1.557 1.668 1 C-N-CA 126.04 4.493 . . . . 1.0 115.959 173.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' A' ' 49' ' ' GLN . 17.1 m -58.53 143.64 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 O-C-N 120.269 -1.519 . . . . 1.0 113.475 -172.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -125.73 -47.93 1.67 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.422 1.089 . . . . 1.0 112.497 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -105.3 -179.63 4.0 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 128.667 2.787 . . . . 1.0 113.489 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.15 161.73 32.29 Favored Pre-proline 0 N--CA 1.487 1.393 0 C-N-CA 126.877 2.071 . . . . 1.0 110.547 172.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -74.61 169.46 74.15 Favored 'Cis proline' 0 CA--C 1.55 1.306 0 N-CA-C 115.491 1.304 . . . . 1.0 115.491 4.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.414 HE22 ' CG1' ' A' ' 56' ' ' VAL . 80.1 mm-40 -140.5 80.4 1.75 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.385 2.274 . . . . 1.0 112.49 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.494 HD12 ' HB1' ' A' ' 17' ' ' ALA . 11.7 mt -113.37 151.85 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 128.228 2.611 . . . . 1.0 115.294 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -129.14 111.62 13.12 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 129.114 2.965 . . . . 1.0 110.316 176.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.9 t -94.81 133.14 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 126.02 1.728 . . . . 1.0 109.433 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 39.96 56.72 2.44 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 129.319 3.048 . . . . 1.0 110.585 -171.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.287 1.5 pt20 54.0 13.47 0.57 Allowed 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 129.792 3.237 . . . . 1.0 119.311 -172.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.29 147.22 48.28 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 121.6 2.0 . . . . 1.0 113.423 172.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -60.83 124.46 20.51 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.949 1.463 . . . . 1.0 114.949 -171.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -138.1 96.98 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 129.117 2.967 . . . . 1.0 104.666 171.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -16.99 -59.01 0.01 OUTLIER Glycine 0 N--CA 1.479 1.559 0 C-N-CA 127.881 2.658 . . . . 1.0 117.837 -172.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.59 -139.56 11.05 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 126.931 2.205 . . . . 1.0 110.707 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.466 ' H ' ' HB2' ' A' ' 17' ' ' ALA . 13.6 t80 -32.89 -55.07 0.38 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.384 2.274 . . . . 1.0 114.933 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 t -53.93 -61.84 2.04 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 125.934 1.694 . . . . 1.0 114.108 171.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.88 -57.83 4.58 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 129.953 3.301 . . . . 1.0 111.968 -174.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -47.7 -44.97 28.07 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 129.181 2.993 . . . . 1.0 113.734 172.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.74 -50.69 72.97 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.331 0.969 . . . . 1.0 112.178 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.04 92.4 Favored 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 124.552 1.141 . . . . 1.0 113.73 173.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -57.26 -52.98 63.14 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 129.357 3.063 . . . . 1.0 112.567 172.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.48 -46.56 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 127.11 2.164 . . . . 1.0 111.163 171.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -58.31 -36.0 72.69 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.163 1.347 . . . . 1.0 114.101 175.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -56.67 -15.95 5.42 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 120.019 1.281 . . . . 1.0 113.161 170.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -99.86 -59.86 1.64 Allowed 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 129.297 3.039 . . . . 1.0 113.397 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.7 mt -78.92 -29.34 44.1 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 127.793 2.437 . . . . 1.0 116.6 -172.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.45 6.88 37.88 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 128.999 2.919 . . . . 1.0 113.19 172.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.185 0 C-N-CA 129.803 3.241 . . . . 1.0 116.83 -171.516 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.145 0 N-CA-C 107.987 -2.045 . . . . 1.0 107.987 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.18 107.23 6.71 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 106.562 -1.644 . . . . 1.0 106.562 171.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -137.32 165.75 25.44 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.259 1.823 . . . . 1.0 112.914 -171.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -120.39 123.71 43.71 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.396 1.478 . . . . 1.0 113.72 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -140.13 97.17 3.18 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 129.329 3.052 . . . . 1.0 109.559 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.91 139.84 52.77 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.445 2.298 . . . . 1.0 113.765 -172.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -127.7 153.73 46.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.927 2.091 . . . . 1.0 113.794 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -102.75 110.05 21.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.531 1.532 . . . . 1.0 111.392 172.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 81.0 mt -131.72 98.61 4.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.927 1.691 . . . . 1.0 111.937 -173.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' VAL . . . . . 0.442 ' H ' ' CD ' ' B' ' 136' ' ' PRO . 3.7 p -123.63 -27.52 0.05 OUTLIER Pre-proline 0 N--CA 1.488 1.437 0 C-N-CA 127.191 2.196 . . . . 1.0 114.795 171.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 136' ' ' PRO . . . . . 0.442 ' CD ' ' H ' ' B' ' 135' ' ' VAL . 78.5 Cg_endo -85.54 94.46 0.62 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 123.538 2.825 . . . . 1.0 111.621 172.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 9.3 p -91.07 110.33 21.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.634 1.173 . . . . 1.0 109.182 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 1.5 pp -115.59 1.92 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 115.852 1.797 . . . . 1.0 115.852 -172.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -97.45 118.81 34.76 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.644 2.377 . . . . 1.0 109.765 171.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -116.01 97.04 5.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.947 0.794 . . . . 1.0 111.377 172.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -153.03 10.09 0.45 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 128.725 2.81 . . . . 1.0 114.522 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 105.81 111.08 3.56 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 117.691 1.836 . . . . 1.0 117.691 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.1 t -128.36 160.76 31.21 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 127.175 2.19 . . . . 1.0 113.707 171.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -126.03 62.62 1.24 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 126.898 2.079 . . . . 1.0 113.217 -173.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 45.2 t -141.57 151.87 43.57 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.126 2.171 . . . . 1.0 114.863 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 149.89 -10.05 0.89 Allowed Glycine 0 CA--C 1.54 1.608 0 C-N-CA 128.041 2.734 . . . . 1.0 117.396 171.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.23 22.29 2.61 Favored 'General case' 0 CA--C 1.572 1.826 0 C-N-CA 126.862 2.065 . . . . 1.0 115.813 171.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 6.5 t -73.4 142.3 46.96 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 131.179 3.792 . . . . 1.0 116.811 -171.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt 177.16 166.71 0.57 Allowed 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 129.857 3.263 . . . . 1.0 114.211 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.6 tp . . . . . 0 N--CA 1.498 1.931 0 C-N-CA 129.913 3.285 . . . . 1.0 114.542 172.359 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.412 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 94.0 mmm . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 118.89 -0.576 . . . . 1.0 110.165 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.33 120.89 38.97 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 126.491 1.917 . . . . 1.0 112.354 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.6 m -120.7 115.18 22.84 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 125.636 1.575 . . . . 1.0 110.162 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.4 t -111.47 132.21 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.418 2.287 . . . . 1.0 111.706 -171.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.52 126.33 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 126.803 2.041 . . . . 1.0 112.255 -171.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.412 ' HB3' HG21 ' A' ' 38' ' ' ILE . 85.5 m-85 -104.72 97.03 6.98 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.191 1.796 . . . . 1.0 113.162 -175.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.99 68.44 1.29 Allowed Glycine 0 CA--C 1.539 1.573 0 C-N-CA 127.343 2.401 . . . . 1.0 118.787 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 25.3 ttt180 -67.55 -60.08 2.84 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 128.095 2.558 . . . . 1.0 109.86 171.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -65.49 72.63 0.05 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.47 2.708 . . . . 1.0 112.202 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.85 -23.89 0.04 OUTLIER Glycine 0 CA--C 1.538 1.49 0 N-CA-C 117.559 1.784 . . . . 1.0 117.559 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.4 p -164.66 144.96 6.19 Favored Pre-proline 0 CA--C 1.553 1.095 0 CA-C-N 119.707 1.754 . . . . 1.0 115.242 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -64.43 -36.82 42.2 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 123.561 2.841 . . . . 1.0 114.579 -172.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . 0.262 7.2 m-30 -68.15 -38.49 82.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 119.115 0.871 . . . . 1.0 112.645 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.537 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.6 t -62.3 -42.9 99.75 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.071 0.949 . . . . 1.0 111.435 171.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.29 -51.62 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-O 118.18 -0.914 . . . . 1.0 110.274 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -54.45 -41.93 70.0 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.695 1.198 . . . . 1.0 111.906 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 72' ' ' TYR . . . -60.98 -46.6 90.07 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 126.026 1.73 . . . . 1.0 113.269 172.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -54.58 45.34 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.248 1.819 . . . . 1.0 112.222 172.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -43.22 63.36 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 128.121 2.568 . . . . 1.0 112.937 176.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -54.3 -48.92 70.74 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.643 1.177 . . . . 1.0 113.298 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.15 91.31 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.825 1.25 . . . . 1.0 113.591 172.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -57.96 -45.27 86.95 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.53 1.532 . . . . 1.0 113.472 172.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.76 -45.03 78.15 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 129.573 3.149 . . . . 1.0 112.586 172.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.9 -43.71 87.41 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.218 1.807 . . . . 1.0 111.29 171.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -57.36 -35.84 70.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.69 1.596 . . . . 1.0 113.658 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -66.3 -47.76 72.55 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.536 2.335 . . . . 1.0 110.705 171.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -63.43 -30.24 71.4 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.436 2.694 . . . . 1.0 113.669 -176.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -133.76 -175.11 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 116.334 1.976 . . . . 1.0 116.334 -172.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -122.02 -27.47 4.58 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 129.957 3.303 . . . . 1.0 115.394 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -68.81 -32.27 71.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 130.756 3.622 . . . . 1.0 116.076 172.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -98.03 102.85 14.72 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.105 2.962 . . . . 1.0 115.423 -171.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -99.3 132.31 44.71 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 128.867 2.867 . . . . 1.0 111.541 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.26 136.39 53.15 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.857 2.463 . . . . 1.0 112.762 -173.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -129.93 133.46 46.85 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.713 -1.242 . . . . 1.0 112.109 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 9.0 t80 -111.11 123.62 50.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.208 1.403 . . . . 1.0 112.531 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 t -124.13 118.57 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 128.209 2.603 . . . . 1.0 110.593 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.309 0.0 OUTLIER -63.97 150.41 45.2 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.296 -1.502 . . . . 1.0 114.007 171.323 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' A' ' 6' ' ' PHE 0.276 2.0 pp -122.21 -45.11 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.831 1.252 . . . . 1.0 111.592 172.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' B' ' 150' ' ' ILE . 13.4 ttm180 -63.14 -41.67 99.34 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.947 1.299 . . . . 1.0 112.432 174.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.2 -55.64 11.56 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.272 0.942 . . . . 1.0 111.34 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.41 -11.42 22.91 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 130.132 3.373 . . . . 1.0 115.453 -172.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.08 16.72 68.93 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 126.393 1.949 . . . . 1.0 115.537 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mt -99.95 159.25 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 128.449 2.699 . . . . 1.0 110.095 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -148.77 169.03 21.37 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 -171.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.3 0.1 OUTLIER -57.25 -25.17 58.74 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.714 1.206 . . . . 1.0 114.232 173.393 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -68.17 -38.0 81.59 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 127.067 2.147 . . . . 1.0 112.079 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.32 -55.14 9.9 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 127.925 2.49 . . . . 1.0 111.28 171.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.0 mt -54.17 -47.3 72.16 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.176 2.191 . . . . 1.0 113.492 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.743 ' HB3' HG22 ' A' ' 56' ' ' VAL . 7.0 pt20 -59.29 -38.95 81.46 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.352 1.242 . . . . 1.0 114.352 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.72 -58.11 8.61 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.973 1.309 . . . . 1.0 111.496 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -50.29 -47.72 55.37 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.083 1.753 . . . . 1.0 114.126 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.02 -23.77 66.62 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.313 1.845 . . . . 1.0 115.757 174.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.64 -1.55 85.61 Favored Glycine 0 CA--C 1.547 2.091 0 C-N-CA 126.92 2.2 . . . . 1.0 117.152 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -126.97 127.11 24.44 Favored Pre-proline 0 N--CA 1.482 1.125 0 C-N-CA 129.672 3.189 . . . . 1.0 111.046 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -56.98 107.38 0.28 Allowed 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.479 3.453 . . . . 1.0 111.792 171.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.743 HG22 ' HB3' ' A' ' 49' ' ' GLN . 24.1 m -96.88 151.38 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.308 1.443 . . . . 1.0 110.815 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.6 -40.53 3.57 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.242 1.417 . . . . 1.0 114.277 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.463 ' HB ' ' H ' ' B' ' 147' ' ' ALA . 37.1 p -139.13 -178.32 5.3 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.27 1.828 . . . . 1.0 112.97 -172.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.37 153.38 65.54 Favored Pre-proline 0 N--CA 1.484 1.23 0 C-N-CA 126.659 1.984 . . . . 1.0 111.505 171.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.76 163.55 87.78 Favored 'Cis proline' 0 CA--C 1.545 1.055 0 N-CA-C 115.253 1.213 . . . . 1.0 115.253 7.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.442 HE22 HG11 ' A' ' 56' ' ' VAL . 85.0 mm-40 -136.06 72.56 1.44 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.718 2.007 . . . . 1.0 111.847 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 84.9 mt -108.93 152.15 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 129.065 2.946 . . . . 1.0 114.43 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -125.59 139.42 53.6 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.997 2.519 . . . . 1.0 109.288 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 t -121.55 135.37 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 126.954 2.101 . . . . 1.0 109.503 172.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.31 0.1 OUTLIER 35.82 53.23 0.85 Allowed 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 128.205 2.602 . . . . 1.0 114.646 -172.416 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 69.1 4.2 4.44 Favored 'General case' 0 CA--C 1.568 1.641 1 C-N-CA 133.284 4.634 . . . . 1.0 115.953 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -103.33 140.38 37.5 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 128.437 2.695 . . . . 1.0 111.157 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -60.78 127.93 34.07 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.554 -1.341 . . . . 1.0 110.518 172.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.8 mm -140.34 98.01 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 129.267 3.027 . . . . 1.0 106.374 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -12.56 -64.25 0.01 OUTLIER Glycine 0 N--CA 1.48 1.599 0 C-N-CA 127.775 2.607 . . . . 1.0 116.496 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.78 -135.4 7.92 Favored Glycine 0 C--O 1.22 -0.742 0 C-N-CA 127.266 2.365 . . . . 1.0 110.068 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.409 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 57.3 t80 -33.25 -47.86 0.21 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.78 2.032 . . . . 1.0 114.468 -173.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 74' ' ' ASP . 11.2 t -62.41 -61.94 2.1 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 127.559 2.344 . . . . 1.0 115.557 171.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.464 ' H ' HG23 ' A' ' 73' ' ' THR . 0.4 OUTLIER -63.99 -51.26 65.12 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.984 2.114 . . . . 1.0 112.421 178.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -53.96 -48.39 70.35 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 129.267 3.027 . . . . 1.0 113.625 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.08 67.07 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 120.282 1.401 . . . . 1.0 111.895 172.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.78 -41.45 77.7 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.059 1.344 . . . . 1.0 114.378 173.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -63.65 -53.55 49.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.108 2.963 . . . . 1.0 112.974 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.0 -49.45 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.326 1.85 . . . . 1.0 111.04 172.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -54.03 -46.15 71.79 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.567 2.347 . . . . 1.0 113.371 172.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.91 -13.82 18.32 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 126.564 1.945 . . . . 1.0 114.358 171.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -101.01 -59.53 1.68 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 126.206 1.803 . . . . 1.0 114.445 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.62 -29.81 33.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 127.619 2.367 . . . . 1.0 116.212 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.84 -1.93 18.83 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 127.648 2.379 . . . . 1.0 113.214 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.346 0 C-N-CA 131.28 3.832 . . . . 1.0 114.497 -178.922 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 . . . . . 0 N--CA 1.485 1.292 0 N-CA-C 119.459 3.133 . . . . 1.0 119.459 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.1 t -128.06 -178.23 4.45 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.349 1.611 . . . . 1.0 115.349 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 160.74 0.07 0.07 OUTLIER Glycine 0 N--CA 1.486 2.033 0 N-CA-C 118.201 2.04 . . . . 1.0 118.201 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . 0.463 ' H ' ' HB ' ' A' ' 58' ' ' THR . . . 54.76 18.58 2.18 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 129.417 3.087 . . . . 1.0 117.64 172.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 36.4 t -73.46 146.83 44.68 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.887 2.475 . . . . 1.0 114.224 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt 177.06 179.15 0.23 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 127.745 2.418 . . . . 1.0 114.021 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 5.8 tp . . . . . 0 N--CA 1.488 1.443 1 C-N-CA 131.885 4.074 . . . . 1.0 115.468 171.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 116.834 -1.555 . . . . 1.0 108.347 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.21 118.59 32.25 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 117.679 2.474 . . . . 1.0 117.679 -170.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.8 m -119.59 121.0 38.35 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 126.109 1.763 . . . . 1.0 113.029 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.48 124.33 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 127.656 2.383 . . . . 1.0 111.291 -173.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -113.19 121.34 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 C-N-CA 125.641 1.576 . . . . 1.0 112.687 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -99.91 111.12 23.44 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.087 1.755 . . . . 1.0 113.634 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.04 54.7 3.12 Favored Glycine 0 CA--C 1.54 1.605 0 N-CA-C 119.53 2.572 . . . . 1.0 119.53 169.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -65.32 -54.44 29.06 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 119.721 1.76 . . . . 1.0 113.325 171.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -62.39 92.49 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.319 2.648 . . . . 1.0 113.625 -169.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.46 -0.51 8.06 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 118.682 2.233 . . . . 1.0 118.682 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 p -141.37 116.91 7.2 Favored Pre-proline 0 CA--C 1.556 1.186 0 CA-C-N 120.509 2.155 . . . . 1.0 113.409 173.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -61.33 -27.74 83.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 124.451 3.434 . . . . 1.0 115.66 -169.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -68.67 -38.58 80.51 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.69 0.796 . . . . 1.0 111.456 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -68.99 -38.61 79.41 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.852 2.061 . . . . 1.0 113.201 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.7 t -53.25 -54.27 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.707 1.203 . . . . 1.0 111.626 170.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -57.54 -42.07 82.22 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.247 1.419 . . . . 1.0 111.469 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.58 69.23 Favored 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 115.161 1.541 . . . . 1.0 115.161 171.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -53.5 50.81 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.026 1.331 . . . . 1.0 113.315 173.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -52.92 -41.95 64.94 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.981 2.112 . . . . 1.0 112.597 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.25 -48.05 74.54 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.55 1.94 . . . . 1.0 113.883 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.54 95.8 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.893 1.277 . . . . 1.0 113.99 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.86 -41.85 96.7 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.313 1.445 . . . . 1.0 114.259 173.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -52.2 -52.17 53.79 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 128.923 2.889 . . . . 1.0 110.947 169.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.08 -48.66 80.68 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 126.507 1.923 . . . . 1.0 113.784 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t -56.5 -36.38 69.1 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.674 1.59 . . . . 1.0 114.76 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -42.42 75.09 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.398 2.279 . . . . 1.0 114.497 169.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -63.43 -26.24 68.64 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.464 1.906 . . . . 1.0 113.373 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -137.25 171.52 14.37 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 116.74 2.126 . . . . 1.0 116.74 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -112.11 -1.03 15.43 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 127.286 2.234 . . . . 1.0 115.39 171.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.8 p-10 -85.26 -32.91 22.31 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.75 2.02 . . . . 1.0 114.769 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -95.97 104.65 16.6 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 129.106 2.962 . . . . 1.0 112.734 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -95.8 133.16 40.26 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 130.278 3.431 . . . . 1.0 110.152 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 138.67 54.26 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.317 1.447 . . . . 1.0 114.474 -171.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -128.53 131.14 48.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.629 1.572 . . . . 1.0 111.823 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -109.2 126.64 53.49 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.648 1.579 . . . . 1.0 114.47 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.33 111.87 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 125.443 1.497 . . . . 1.0 112.761 174.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.488 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.291 0.0 OUTLIER -65.09 155.08 35.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 119.333 -2.104 . . . . 1.0 113.56 167.895 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.265 2.0 pp -110.92 -39.44 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 124.608 1.163 . . . . 1.0 111.584 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -70.51 -26.82 63.77 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.218 1.807 . . . . 1.0 113.863 170.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -85.26 -57.16 3.19 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.521 1.528 . . . . 1.0 112.506 173.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.29 -20.92 65.9 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 117.13 2.27 . . . . 1.0 117.13 175.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.3 51.21 4.22 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 125.353 1.454 . . . . 1.0 114.318 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mt -122.46 159.95 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 128.964 2.906 . . . . 1.0 110.676 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -151.88 166.17 32.27 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.47 1.508 . . . . 1.0 114.41 -174.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -37.51 -45.1 0.71 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 129.129 2.972 . . . . 1.0 115.528 170.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 -61.1 -44.43 97.36 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 128.557 2.743 . . . . 1.0 111.606 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -64.8 -54.93 23.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.222 2.209 . . . . 1.0 111.359 171.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt -57.37 -45.1 84.77 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.799 2.04 . . . . 1.0 113.556 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.568 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.9 pt20 -64.49 -36.71 85.08 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 115.018 1.488 . . . . 1.0 115.018 174.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -66.32 -53.28 38.29 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.543 1.065 . . . . 1.0 111.683 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -53.98 -44.12 70.55 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.918 1.687 . . . . 1.0 114.209 171.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.17 -25.57 63.51 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 117.021 2.23 . . . . 1.0 117.021 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.93 -39.27 0.79 Allowed Glycine 0 CA--C 1.548 2.129 0 C-N-CA 126.006 1.765 . . . . 1.0 114.166 -168.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -63.12 125.9 87.91 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 128.732 2.813 . . . . 1.0 110.559 171.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -64.51 105.39 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 123.018 2.479 . . . . 1.0 110.714 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' ' 49' ' ' GLN . 10.3 m -100.69 144.33 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.384 1.474 . . . . 1.0 112.204 174.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -114.35 -35.64 4.9 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.382 1.873 . . . . 1.0 114.283 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.0 p -139.17 -177.3 4.85 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.953 2.101 . . . . 1.0 112.844 -171.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.87 162.32 50.24 Favored Pre-proline 0 N--CA 1.49 1.574 0 C-N-CA 127.599 2.36 . . . . 1.0 111.583 169.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.19 164.91 85.75 Favored 'Cis proline' 0 CA--C 1.544 1.008 0 CA-C-N 120.574 1.241 . . . . 1.0 114.04 -0.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -139.81 80.38 1.77 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.022 2.129 . . . . 1.0 111.1 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.0 mt -110.41 144.52 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 126.715 2.006 . . . . 1.0 112.433 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -115.96 141.8 47.63 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.485 1.514 . . . . 1.0 108.863 170.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.4 t -125.31 129.69 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 C-N-CA 126.091 1.756 . . . . 1.0 110.033 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.35 0.2 OUTLIER 35.47 41.94 0.11 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 128.068 2.547 . . . . 1.0 114.602 -169.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 83.32 2.63 0.99 Allowed 'General case' 0 CA--C 1.557 1.248 1 C-N-CA 132.879 4.471 . . . . 1.0 115.562 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.5 140.43 29.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.891 2.077 . . . . 1.0 111.308 176.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -61.23 129.2 40.09 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.226 -0.922 . . . . 1.0 110.873 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.7 mm -126.73 170.89 16.02 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 C-N-CA 129.416 3.087 . . . . 1.0 108.607 170.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.26 -73.31 0.78 Allowed Glycine 0 CA--C 1.538 1.5 0 O-C-N 119.054 -2.278 . . . . 1.0 112.195 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.52 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 136.3 -137.42 9.08 Favored Glycine 0 C--O 1.217 -0.931 0 C-N-CA 128.094 2.759 . . . . 1.0 109.869 -170.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -30.6 -61.12 0.18 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 127.483 2.313 . . . . 1.0 114.446 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 t -44.92 -59.03 2.77 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 128.232 2.613 . . . . 1.0 115.578 170.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.52 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -70.4 -51.88 26.42 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 130.811 3.644 . . . . 1.0 111.673 -177.054 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.52 -46.39 73.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 130.716 3.606 . . . . 1.0 113.509 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.08 -53.81 53.9 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.536 1.534 . . . . 1.0 112.378 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.58 -44.22 76.71 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 125.289 1.436 . . . . 1.0 113.666 173.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -58.13 -52.71 64.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.32 2.248 . . . . 1.0 113.307 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.7 t -55.32 -50.96 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 125.167 1.387 . . . . 1.0 112.001 170.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -49.75 -57.16 7.85 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 126.669 1.988 . . . . 1.0 112.595 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -11.26 3.0 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 116.259 1.948 . . . . 1.0 116.259 172.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -93.8 -60.59 1.72 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.209 -1.557 . . . . 1.0 111.449 169.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.1 mt -82.35 -55.71 4.34 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.624 2.369 . . . . 1.0 114.298 -171.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.09 4.69 25.24 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 128.643 2.777 . . . . 1.0 115.823 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.993 0 C-N-CA 131.271 3.828 . . . . 1.0 118.444 -168.161 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 119.572 3.175 . . . . 1.0 119.572 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.6 t -137.85 -166.96 2.05 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 126.366 1.866 . . . . 1.0 114.187 -174.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 154.8 3.08 0.11 Allowed Glycine 0 N--CA 1.488 2.138 0 C-N-CA 126.719 2.104 . . . . 1.0 117.613 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . 0.26 . . 51.27 19.36 0.74 Allowed 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 118.419 2.748 . . . . 1.0 118.419 168.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 5.1 t -72.29 159.51 33.93 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 128.965 2.906 . . . . 1.0 113.906 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.4 174.27 1.02 Allowed 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 128.052 2.541 . . . . 1.0 111.679 -168.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . 0.416 HG22 ' H ' ' B' ' 150' ' ' ILE . 4.7 tp . . . . . 0 N--CA 1.492 1.671 1 C-N-CA 132.7 4.4 . . . . 1.0 115.053 167.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttm . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 112.775 0.657 . . . . 1.0 112.775 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -113.48 123.32 49.75 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.378 1.871 . . . . 1.0 110.839 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.5 m -124.66 121.74 35.55 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.845 1.258 . . . . 1.0 113.845 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -112.16 126.58 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 127.313 2.245 . . . . 1.0 111.812 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mp -118.45 124.42 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 126.616 1.966 . . . . 1.0 113.062 -171.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.73 103.69 13.19 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.032 2.133 . . . . 1.0 112.966 -171.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.24 54.91 3.4 Favored Glycine 0 CA--C 1.541 1.683 0 N-CA-C 118.098 1.999 . . . . 1.0 118.098 171.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -53.06 -27.59 20.74 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 126.401 1.88 . . . . 1.0 115.3 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 t -63.82 126.13 26.62 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 128.606 2.763 . . . . 1.0 117.55 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.41 6.99 67.06 Favored Glycine 0 CA--C 1.543 1.801 0 C-N-CA 127.893 2.663 . . . . 1.0 118.979 170.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.8 p -141.45 120.71 8.15 Favored Pre-proline 0 CA--C 1.557 1.244 0 CA-C-N 120.034 1.917 . . . . 1.0 113.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -60.12 -32.09 94.17 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 123.928 3.085 . . . . 1.0 114.158 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -50.92 -50.77 56.86 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.86 2.064 . . . . 1.0 112.981 171.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -70.93 -40.12 72.25 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.372 1.869 . . . . 1.0 114.177 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.73 -54.53 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 CA-C-O 117.661 -1.162 . . . . 1.0 111.748 172.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -57.36 -43.74 83.78 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.476 1.034 . . . . 1.0 112.149 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.0 -46.71 75.21 Favored 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 114.403 1.26 . . . . 1.0 114.403 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -55.0 20.56 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.751 1.221 . . . . 1.0 113.51 170.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.6 -40.83 66.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.256 2.222 . . . . 1.0 112.587 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -55.58 -48.7 74.39 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 126.153 1.781 . . . . 1.0 113.742 170.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.41 92.89 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 125.844 1.658 . . . . 1.0 114.812 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.37 -44.08 92.78 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.066 1.346 . . . . 1.0 113.353 173.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -51.36 -53.37 36.94 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.94 2.496 . . . . 1.0 111.118 170.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.98 -45.99 85.9 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.915 1.686 . . . . 1.0 113.173 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 t -62.06 -33.55 74.61 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.303 1.223 . . . . 1.0 114.303 172.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -68.38 -53.34 24.58 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 127.208 2.203 . . . . 1.0 113.028 170.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.73 -34.61 78.26 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 130.238 3.415 . . . . 1.0 114.69 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -118.56 158.93 24.48 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 127.431 2.292 . . . . 1.0 112.668 -171.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -90.39 -32.19 16.55 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 127.644 2.377 . . . . 1.0 113.893 170.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -34.46 78.27 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 129.017 2.927 . . . . 1.0 114.679 -176.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -95.56 117.93 31.33 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.97 2.908 . . . . 1.0 116.566 -167.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.17 135.12 54.16 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.845 2.858 . . . . 1.0 114.149 172.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -117.74 138.62 51.91 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 128.027 2.531 . . . . 1.0 114.313 -172.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -128.45 132.29 48.42 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 127.541 2.336 . . . . 1.0 111.187 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -112.69 125.78 54.68 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.468 1.907 . . . . 1.0 112.482 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -121.68 112.57 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 127.668 2.387 . . . . 1.0 111.893 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.09 70.17 2.04 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 116.215 1.931 . . . . 1.0 116.215 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -55.23 -38.62 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 118.525 -2.609 . . . . 1.0 112.241 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -70.53 -3.86 20.1 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 129.309 3.044 . . . . 1.0 115.205 173.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.51 -41.91 1.99 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.084 1.353 . . . . 1.0 113.338 172.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -61.03 -20.73 62.88 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 129.221 3.008 . . . . 1.0 114.433 171.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.2 30.64 6.22 Favored Glycine 0 N--CA 1.484 1.857 0 C-N-CA 127.428 2.442 . . . . 1.0 116.551 170.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.9 mt -118.22 151.5 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 129.005 2.922 . . . . 1.0 111.453 -170.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 t -134.39 169.62 16.97 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.394 1.627 . . . . 1.0 115.394 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.55 -41.95 22.48 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 128.73 2.812 . . . . 1.0 114.044 171.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -60.54 -38.8 85.62 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.503 2.321 . . . . 1.0 112.608 176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -69.75 -55.12 10.76 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.385 1.474 . . . . 1.0 111.154 169.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 mt -53.38 -40.28 64.88 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.283 1.833 . . . . 1.0 113.879 -174.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.664 ' HB3' HG22 ' A' ' 56' ' ' VAL . 5.6 pt20 -59.25 -48.22 82.43 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.86 1.209 . . . . 1.0 114.153 171.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -64.74 -48.22 75.37 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.942 1.697 . . . . 1.0 111.913 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -37.5 71.48 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.307 2.643 . . . . 1.0 113.81 174.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.0 50.35 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.674 2.39 . . . . 1.0 115.256 169.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.52 18.19 73.44 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.441 1.496 . . . . 1.0 114.354 -170.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -134.58 129.37 19.45 Favored Pre-proline 0 N--CA 1.488 1.474 0 C-N-CA 131.266 3.826 . . . . 1.0 110.152 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -59.58 120.8 8.84 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 122.519 2.146 . . . . 1.0 111.447 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.664 HG22 ' HB3' ' A' ' 49' ' ' GLN . 19.7 m -125.93 145.15 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 126.479 1.911 . . . . 1.0 112.842 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -119.07 -33.38 4.18 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.69 1.996 . . . . 1.0 114.132 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.7 p -136.9 179.42 6.39 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 128.547 2.739 . . . . 1.0 114.385 -170.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.85 160.53 63.49 Favored Pre-proline 0 N--CA 1.491 1.624 0 C-N-CA 124.895 1.278 . . . . 1.0 110.813 168.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.85 166.7 78.36 Favored 'Cis proline' 0 CA--C 1.549 1.269 0 N-CA-C 114.993 1.113 . . . . 1.0 114.993 -0.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -139.2 85.13 2.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.984 2.114 . . . . 1.0 111.559 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.4 mt -119.66 153.14 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 127.941 2.497 . . . . 1.0 113.331 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -128.35 113.73 15.97 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.988 2.115 . . . . 1.0 109.705 171.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.69 146.51 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 C-N-CA 125.533 1.533 . . . . 1.0 109.906 172.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.284 1.4 p30 52.96 6.69 0.06 Allowed 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 128.461 2.704 . . . . 1.0 117.454 -177.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 95.76 9.37 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.555 1 C-N-CA 133.147 4.579 . . . . 1.0 115.317 -171.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -112.09 148.8 33.15 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 127.645 2.378 . . . . 1.0 112.778 171.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.11 111.8 2.1 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.187 -1.57 . . . . 1.0 112.583 173.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.9 mm -123.35 104.89 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 128.328 2.651 . . . . 1.0 105.405 170.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -17.3 -64.52 0.01 OUTLIER Glycine 0 N--CA 1.477 1.378 0 C-N-CA 128.725 3.06 . . . . 1.0 116.708 -170.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.63 -137.61 9.53 Favored Glycine 0 C--O 1.218 -0.901 0 C-N-CA 127.584 2.516 . . . . 1.0 111.336 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -29.93 -54.26 0.16 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 127.347 2.259 . . . . 1.0 115.085 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 t -67.54 -40.42 85.0 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 117.55 2.426 . . . . 1.0 117.55 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -72.56 -60.68 2.11 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 127.281 2.232 . . . . 1.0 112.01 170.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -39.55 69.99 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.322 3.049 . . . . 1.0 114.931 -175.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.04 85.48 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 119.225 0.921 . . . . 1.0 113.132 170.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.34 -43.43 79.05 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.328 1.051 . . . . 1.0 112.214 170.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -58.18 -51.36 70.05 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.311 1.445 . . . . 1.0 112.45 169.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 52.5 t -50.3 -44.15 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.428 -1.42 . . . . 1.0 112.588 170.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -60.62 -43.86 97.0 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 119.862 1.21 . . . . 1.0 112.772 170.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -59.98 -12.05 7.11 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 127.594 2.358 . . . . 1.0 115.185 169.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -101.95 -60.98 1.44 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 127.229 2.212 . . . . 1.0 112.564 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.6 mt -81.77 -52.54 7.02 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.622 1.969 . . . . 1.0 114.456 -171.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -83.73 -4.69 58.83 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.851 2.06 . . . . 1.0 115.809 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 1 C-N-CA 132.5 4.32 . . . . 1.0 117.866 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 118.36 2.726 . . . . 1.0 118.36 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -126.3 174.47 8.54 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 116.04 1.867 . . . . 1.0 116.04 -173.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 141.68 -11.85 2.67 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 129.99 3.662 . . . . 1.0 116.19 171.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.96 15.42 0.25 Allowed 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 127.647 2.379 . . . . 1.0 117.276 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 25.0 t -71.26 127.91 34.14 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.687 1.995 . . . . 1.0 114.661 -169.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.89 174.16 0.93 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 130.636 3.574 . . . . 1.0 112.787 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 N--CA 1.49 1.571 0 C-N-CA 128.874 2.869 . . . . 1.0 114.599 173.136 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mmm . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 119.178 -0.439 . . . . 1.0 110.723 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -109.01 124.78 51.27 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 127.365 2.266 . . . . 1.0 114.519 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.7 m -123.22 117.21 24.79 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 124.671 1.188 . . . . 1.0 112.415 170.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 t -110.51 132.8 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 C-N-CA 126.919 2.088 . . . . 1.0 111.289 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -121.52 126.72 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 125.939 1.696 . . . . 1.0 113.277 -171.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -102.45 109.6 21.3 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.725 2.41 . . . . 1.0 112.957 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.54 60.44 2.64 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 128.111 2.767 . . . . 1.0 119.681 169.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.447 ' H ' ' HE1' ' A' ' 35' ' ' TYR . 11.1 ttt180 -60.17 -45.22 93.85 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 119.815 1.808 . . . . 1.0 110.781 169.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -61.27 110.88 1.53 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.718 2.807 . . . . 1.0 112.353 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.04 -12.44 49.07 Favored Glycine 0 CA--C 1.541 1.695 0 N-CA-C 118.941 2.337 . . . . 1.0 118.941 170.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.82 126.21 17.76 Favored Pre-proline 0 CA--C 1.56 1.355 0 CA-C-N 120.838 2.319 . . . . 1.0 115.431 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.05 -32.52 27.85 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.569 3.513 . . . . 1.0 116.92 -169.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -70.36 -37.5 74.62 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 120.74 1.609 . . . . 1.0 111.45 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -61.42 -40.14 93.33 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.405 1.482 . . . . 1.0 113.249 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.4 t -55.68 -54.94 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.764 0.826 . . . . 1.0 110.777 170.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -58.82 -42.23 88.71 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.04 1.336 . . . . 1.0 111.759 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.17 -52.54 58.48 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.345 1.858 . . . . 1.0 114.693 171.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -51.73 61.74 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.072 1.349 . . . . 1.0 113.201 173.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -49.97 -43.11 50.02 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.334 2.254 . . . . 1.0 112.896 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mp -52.26 -55.67 19.73 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.616 1.967 . . . . 1.0 113.386 169.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.74 98.22 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 125.638 1.575 . . . . 1.0 113.96 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -56.32 -48.53 76.54 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.287 1.835 . . . . 1.0 113.031 171.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -55.91 -43.57 77.45 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 127.992 2.517 . . . . 1.0 113.079 169.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -46.47 89.05 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 126.407 1.883 . . . . 1.0 113.343 171.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -60.89 -32.29 71.75 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.568 1.547 . . . . 1.0 114.132 171.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -42.94 75.63 Favored 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 125.898 1.679 . . . . 1.0 112.362 168.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.49 -22.9 64.52 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 127.851 2.46 . . . . 1.0 114.965 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -138.22 170.34 16.2 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 117.791 2.515 . . . . 1.0 117.791 -170.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -116.38 18.24 15.26 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 128.292 2.637 . . . . 1.0 115.254 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -112.14 -30.01 7.38 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 128.809 2.844 . . . . 1.0 114.732 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -97.22 108.19 20.87 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 129.888 3.275 . . . . 1.0 113.865 -170.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.62 121.16 37.03 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 129.373 3.069 . . . . 1.0 108.531 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.64 138.38 47.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.605 1.162 . . . . 1.0 113.407 177.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -127.57 131.03 50.05 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.25 1.42 . . . . 1.0 111.181 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.447 ' HE1' ' H ' ' A' ' 8' ' ' ARG . 44.6 t80 -110.9 126.04 54.29 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.23 1.412 . . . . 1.0 114.786 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.52 117.53 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 127.02 2.128 . . . . 1.0 111.376 -177.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.305 0.0 OUTLIER -74.12 158.56 33.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 119.452 -2.03 . . . . 1.0 116.057 168.317 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.281 2.1 pp -121.33 -49.48 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 125.802 1.641 . . . . 1.0 112.276 178.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -63.91 -35.22 79.96 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.549 1.54 . . . . 1.0 114.052 171.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.43 -32.48 24.07 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 115.639 1.718 . . . . 1.0 115.639 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -83.43 -34.61 25.43 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.65 1.722 . . . . 1.0 115.65 171.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.03 56.01 0.71 Allowed Glycine 0 CA--C 1.544 1.863 0 C-N-CA 126.677 2.084 . . . . 1.0 114.342 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.9 mt -134.82 155.98 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 128.975 2.91 . . . . 1.0 110.657 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -146.09 166.93 24.66 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 115.729 1.752 . . . . 1.0 115.729 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.55 -47.32 1.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 129.131 2.972 . . . . 1.0 114.054 170.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -59.88 -34.84 73.69 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 127.998 2.519 . . . . 1.0 112.55 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -73.98 -55.47 6.11 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 127.354 2.262 . . . . 1.0 111.254 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.61 -44.73 85.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.207 2.203 . . . . 1.0 113.692 -172.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.586 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.9 pt20 -59.08 -35.42 73.36 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 120.303 1.41 . . . . 1.0 114.033 174.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -69.86 -47.5 62.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.192 1.397 . . . . 1.0 111.972 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -65.17 -26.56 68.21 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 127.121 2.168 . . . . 1.0 115.283 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.57 -35.6 20.95 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 127.162 2.185 . . . . 1.0 116.422 175.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.76 -31.98 2.98 Favored Glycine 0 CA--C 1.547 2.084 0 C-N-CA 126.534 2.016 . . . . 1.0 115.178 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -69.48 126.93 92.95 Favored Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 127.165 2.186 . . . . 1.0 109.383 169.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.64 85.43 0.6 Allowed 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.458 2.772 . . . . 1.0 110.783 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.586 HG22 ' HB3' ' A' ' 49' ' ' GLN . 16.7 m -78.56 149.66 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.943 1.297 . . . . 1.0 112.649 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -122.04 -38.77 2.67 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.535 1.934 . . . . 1.0 113.096 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.6 p -131.96 -176.23 3.99 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.491 2.316 . . . . 1.0 113.19 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.13 164.95 45.79 Favored Pre-proline 0 N--CA 1.493 1.72 0 C-N-CA 126.93 2.092 . . . . 1.0 112.059 169.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -69.97 168.36 68.5 Favored 'Cis proline' 0 CA--C 1.547 1.16 0 CA-C-N 120.236 1.12 . . . . 1.0 114.374 -4.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -138.71 83.81 1.98 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.257 2.223 . . . . 1.0 112.529 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.52 153.66 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 128.872 2.869 . . . . 1.0 113.67 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -132.32 132.58 43.08 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.545 2.338 . . . . 1.0 110.084 176.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.2 t -112.44 134.15 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 126.55 1.94 . . . . 1.0 109.986 172.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.324 0.1 OUTLIER 34.97 45.7 0.17 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 128.776 2.83 . . . . 1.0 113.622 -169.323 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 73.81 1.98 4.09 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 130.48 3.512 . . . . 1.0 117.487 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -94.79 139.52 31.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.709 2.404 . . . . 1.0 111.108 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -61.39 123.21 17.17 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.241 -1.537 . . . . 1.0 112.313 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.7 mm -134.65 93.42 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 130.016 3.326 . . . . 1.0 106.291 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -14.01 -57.55 0.01 OUTLIER Glycine 0 N--CA 1.482 1.736 0 C-N-CA 128.886 3.136 . . . . 1.0 118.514 -170.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.21 -143.38 14.81 Favored Glycine 0 N--CA 1.471 1.025 0 C-N-CA 128.168 2.794 . . . . 1.0 112.037 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -30.05 -60.64 0.17 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.996 2.518 . . . . 1.0 112.993 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 t -49.78 -59.79 3.5 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 127.352 2.261 . . . . 1.0 117.028 170.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.47 -48.24 50.5 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 130.611 3.564 . . . . 1.0 111.935 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -56.69 -45.09 81.99 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 131.159 3.783 . . . . 1.0 113.127 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.17 -49.55 75.62 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 117.673 -1.156 . . . . 1.0 112.794 171.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.48 81.6 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.452 1.101 . . . . 1.0 112.93 172.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -55.87 -56.01 25.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 125.226 1.41 . . . . 1.0 112.974 171.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.47 -45.33 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 125.95 1.7 . . . . 1.0 113.005 174.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -60.46 3.3 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.573 1.949 . . . . 1.0 111.461 173.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . 0.252 0.9 OUTLIER -59.5 -10.1 3.07 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 125.916 1.686 . . . . 1.0 115.387 175.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -90.57 -57.01 2.97 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 127.128 2.171 . . . . 1.0 111.444 168.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.8 mt -87.68 -57.07 3.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.194 2.597 . . . . 1.0 114.391 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.01 5.9 1.05 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 127.311 2.244 . . . . 1.0 113.491 168.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.264 1.817 0 C-N-CA 129.103 2.961 . . . . 1.0 115.241 -176.632 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 120.77 3.619 . . . . 1.0 120.77 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 6.1 t -141.23 -164.03 1.67 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 114.754 1.39 . . . . 1.0 114.754 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.58 3.85 0.19 Allowed Glycine 0 N--CA 1.479 1.541 0 C-N-CA 127.01 2.243 . . . . 1.0 117.466 170.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.81 16.64 0.34 Allowed 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 128.71 2.804 . . . . 1.0 117.899 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.45 143.65 48.39 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 129.698 3.199 . . . . 1.0 113.152 -174.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.87 171.69 1.07 Allowed 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 128.1 2.56 . . . . 1.0 112.321 -169.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.497 1.877 0 C-N-CA 128.339 2.656 . . . . 1.0 115.016 169.828 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.699 0.761 . . . . 1.0 110.147 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -112.37 121.14 44.03 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.809 2.444 . . . . 1.0 111.342 172.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 98.3 m -114.84 114.49 25.6 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.817 1.247 . . . . 1.0 109.673 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.8 t -110.08 122.42 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 126.619 1.968 . . . . 1.0 109.783 -171.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.415 HD13 ' HG2' ' A' ' 18' ' ' LYS . 2.0 mp -108.77 123.24 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.132 2.173 . . . . 1.0 112.545 -171.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.498 ' HB3' HG21 ' A' ' 38' ' ' ILE . 98.0 m-85 -106.45 107.12 17.97 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.952 1.701 . . . . 1.0 111.875 -177.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.17 58.52 2.31 Favored Glycine 0 N--CA 1.475 1.292 0 N-CA-C 118.279 2.071 . . . . 1.0 118.279 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 28.9 ttt180 -53.66 -56.1 20.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 126.543 1.937 . . . . 1.0 110.687 171.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -66.5 123.63 20.56 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.778 2.431 . . . . 1.0 113.533 174.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.18 -93.36 0.24 Allowed Glycine 0 CA--C 1.538 1.475 0 C-N-CA 128.294 2.854 . . . . 1.0 111.511 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 13.0 p -81.73 154.18 70.67 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 129.24 3.016 . . . . 1.0 116.548 174.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.42 -39.8 0.51 Allowed 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.869 3.046 . . . . 1.0 115.627 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -62.23 -38.1 87.92 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 121.352 1.887 . . . . 1.0 111.696 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.46 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.2 t -52.63 -45.08 66.5 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.785 1.234 . . . . 1.0 112.902 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.63 -52.24 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-O 118.531 -0.747 . . . . 1.0 110.908 171.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -56.88 -41.26 77.73 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.151 1.38 . . . . 1.0 111.297 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 72' ' ' TYR . . . -61.26 -46.15 91.54 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.481 2.713 . . . . 1.0 113.517 172.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.415 ' HG2' HD13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -60.4 -56.55 20.02 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.671 1.588 . . . . 1.0 111.648 172.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.81 -42.57 36.51 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 128.467 2.707 . . . . 1.0 112.516 172.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.43 -46.38 90.23 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 125.99 1.716 . . . . 1.0 112.549 171.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.87 98.18 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 119.476 1.034 . . . . 1.0 112.527 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.46 -43.65 93.15 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.237 1.015 . . . . 1.0 112.594 171.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -53.61 -50.13 66.33 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.435 1.894 . . . . 1.0 110.939 172.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -44.34 89.46 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.676 1.59 . . . . 1.0 114.65 172.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -63.36 -38.08 89.78 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.906 1.282 . . . . 1.0 113.994 172.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -65.7 -45.75 81.58 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 125.998 1.719 . . . . 1.0 110.707 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -66.19 -35.93 81.75 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 129.232 3.013 . . . . 1.0 115.194 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -130.01 151.24 50.78 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 126.318 1.847 . . . . 1.0 115.131 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -78.38 -30.89 48.15 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 129.358 3.063 . . . . 1.0 114.332 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -65.23 -30.38 71.27 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 130.292 3.437 . . . . 1.0 115.451 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -97.55 117.3 31.51 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 123.718 1.723 . . . . 1.0 115.141 -170.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -109.66 132.13 54.43 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 129.027 2.931 . . . . 1.0 110.966 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.28 135.94 54.82 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.991 1.716 . . . . 1.0 113.945 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.92 133.94 47.16 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.957 1.703 . . . . 1.0 111.227 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 15.9 t80 -116.87 123.75 47.81 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.813 1.412 . . . . 1.0 114.813 -176.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 t -120.52 113.9 41.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 128.253 2.621 . . . . 1.0 112.165 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.284 0.0 OUTLIER -77.1 82.76 3.61 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.212 -1.555 . . . . 1.0 114.938 176.274 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.498 HG21 ' HB3' ' A' ' 6' ' ' PHE . 2.3 pp -61.98 -38.72 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 118.601 -2.562 . . . . 1.0 111.874 176.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -6.0 24.89 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.279 3.032 . . . . 1.0 113.545 175.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -128.41 -46.27 1.33 Allowed 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 114.849 1.425 . . . . 1.0 114.849 173.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.51 -10.64 18.8 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 128.547 2.739 . . . . 1.0 115.365 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.01 51.65 2.05 Favored Glycine 0 N--CA 1.483 1.803 0 C-N-CA 126.194 1.854 . . . . 1.0 115.916 171.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.0 mt -142.38 156.3 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.374 1.869 . . . . 1.0 109.998 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -151.11 168.05 25.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.249 1.819 . . . . 1.0 113.658 -171.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -53.49 -25.76 17.77 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.829 1.418 . . . . 1.0 114.829 172.135 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -68.28 -30.65 69.71 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 126.248 1.819 . . . . 1.0 112.508 171.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.88 -52.74 5.79 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.068 2.547 . . . . 1.0 111.039 171.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -54.31 -35.67 62.9 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.981 1.712 . . . . 1.0 113.272 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.716 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.8 pt20 -60.59 -40.43 91.72 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 120.194 1.361 . . . . 1.0 112.836 171.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -70.01 -39.65 75.71 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.593 2.357 . . . . 1.0 112.273 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -66.77 -37.14 84.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.258 1.423 . . . . 1.0 113.987 171.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.58 -17.24 52.02 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.891 2.476 . . . . 1.0 116.44 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.2 17.04 51.27 Favored Glycine 0 CA--C 1.549 2.214 0 CA-C-N 119.8 1.182 . . . . 1.0 113.54 -171.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -126.01 131.7 24.07 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 130.402 3.481 . . . . 1.0 111.592 -171.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.38 79.08 1.17 Allowed 'Trans proline' 0 CA--C 1.549 1.226 0 C-N-CA 123.927 3.085 . . . . 1.0 113.06 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.716 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.7 m -83.83 157.34 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 124.63 1.172 . . . . 1.0 112.438 172.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -140.2 -11.01 1.1 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.203 1.801 . . . . 1.0 114.32 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.7 p -147.83 175.95 10.53 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 129.32 3.048 . . . . 1.0 113.228 -171.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.81 167.96 18.57 Favored Pre-proline 0 N--CA 1.484 1.269 0 C-N-CA 127.467 2.307 . . . . 1.0 111.875 171.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.81 166.13 56.33 Favored 'Cis proline' 0 CA--C 1.549 1.253 0 CA-C-N 119.19 0.746 . . . . 1.0 113.111 -8.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.519 HE22 HG11 ' A' ' 56' ' ' VAL . 90.3 mm-40 -135.01 76.26 1.62 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.266 2.226 . . . . 1.0 110.33 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 27.4 mt -108.4 150.77 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 127.988 2.515 . . . . 1.0 113.924 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -130.23 105.12 7.7 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 128.358 2.663 . . . . 1.0 109.603 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.2 t -90.72 134.49 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.763 1.625 . . . . 1.0 108.919 176.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.259 4.2 m-20 37.11 46.66 0.56 Allowed 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 129.907 3.283 . . . . 1.0 112.353 -171.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.326 1.8 tt0 46.68 51.5 12.15 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 131.011 3.724 . . . . 1.0 115.696 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.77 136.56 27.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 130.914 3.686 . . . . 1.0 108.568 171.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 -60.63 115.21 3.45 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.345 -1.472 . . . . 1.0 114.521 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.7 mm -128.73 97.78 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 128.687 2.795 . . . . 1.0 104.928 171.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -13.41 -61.62 0.01 OUTLIER Glycine 0 N--CA 1.473 1.109 0 C-N-CA 129.046 3.213 . . . . 1.0 116.2 -173.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.18 -149.87 19.51 Favored Glycine 0 C--O 1.224 -0.529 0 C-N-CA 126.813 2.149 . . . . 1.0 108.702 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -35.36 -53.05 0.64 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 125.915 1.686 . . . . 1.0 111.94 -171.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.0 t -48.64 -57.64 5.94 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 116.01 1.856 . . . . 1.0 116.01 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -53.6 42.97 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.098 2.559 . . . . 1.0 111.975 172.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.64 -43.61 47.0 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.985 2.914 . . . . 1.0 114.59 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.33 79.37 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.881 2.072 . . . . 1.0 112.802 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.94 97.78 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.819 1.248 . . . . 1.0 112.881 172.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -60.71 -54.32 46.69 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.526 2.33 . . . . 1.0 113.418 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.7 t -52.65 -49.39 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 125.763 1.625 . . . . 1.0 111.416 172.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -50.32 68.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.02 1.728 . . . . 1.0 113.223 172.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.71 -14.43 20.97 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.872 2.069 . . . . 1.0 115.625 171.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -99.74 -59.87 1.64 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 127.203 2.201 . . . . 1.0 113.756 172.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.48 -64.04 1.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.505 2.322 . . . . 1.0 112.979 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.33 6.14 1.46 Allowed 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 127.017 2.127 . . . . 1.0 114.747 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 129.44 3.096 . . . . 1.0 115.369 -178.624 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 . . . . . 0 CA--C 1.55 0.969 0 N-CA-C 117.045 2.239 . . . . 1.0 117.045 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.5 t -48.59 164.41 0.06 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 119.544 3.164 . . . . 1.0 119.544 -170.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -179.46 -7.54 0.02 OUTLIER Glycine 0 CA--C 1.541 1.676 0 C-N-CA 128.572 2.987 . . . . 1.0 116.468 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.23 21.68 2.34 Favored 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 127.11 2.164 . . . . 1.0 115.787 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 13.1 t -74.27 139.16 44.09 Favored 'General case' 0 CA--C 1.551 0.987 1 C-N-CA 132.995 4.518 . . . . 1.0 114.442 -171.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.68 169.83 0.49 Allowed 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 129.522 3.129 . . . . 1.0 114.588 -171.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.498 1.968 0 C-N-CA 129.785 3.234 . . . . 1.0 114.95 172.069 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.44 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 2.6 ttm . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 119.547 -0.263 . . . . 1.0 111.344 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -118.55 121.27 39.83 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.246 1.018 . . . . 1.0 110.987 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 97.6 m -120.64 118.65 30.68 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 125.107 1.363 . . . . 1.0 112.69 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 t -111.05 126.83 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.202 1.801 . . . . 1.0 112.394 -172.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.0 mp -116.93 120.45 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 126.751 2.02 . . . . 1.0 112.105 -172.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.447 ' HB3' HG21 ' A' ' 38' ' ' ILE . 78.1 m-85 -96.1 103.16 15.04 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.966 1.706 . . . . 1.0 112.405 -175.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' HA3' HG13 ' A' ' 38' ' ' ILE . . . 67.83 97.17 0.04 OUTLIER Glycine 0 N--CA 1.48 1.63 0 C-N-CA 129.631 3.491 . . . . 1.0 117.946 176.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -70.37 -51.94 26.15 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 120.011 1.905 . . . . 1.0 112.558 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -63.96 133.8 53.87 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 128.016 2.526 . . . . 1.0 115.844 -172.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.47 -9.38 41.56 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 128.431 2.92 . . . . 1.0 116.664 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 11.2 p -155.03 120.77 2.63 Favored Pre-proline 0 CA--C 1.558 1.254 0 C-N-CA 126.714 2.006 . . . . 1.0 116.013 -172.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -67.89 -27.35 37.15 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 124.584 3.523 . . . . 1.0 113.106 -172.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -64.91 -38.44 90.98 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.639 1.109 . . . . 1.0 111.726 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.495 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.4 t -65.69 -47.99 73.57 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.07 1.348 . . . . 1.0 112.016 171.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -53.84 -52.29 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-O 117.75 -1.119 . . . . 1.0 111.344 172.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -62.83 -41.64 99.41 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.783 1.233 . . . . 1.0 111.588 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.524 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -58.79 -46.67 87.03 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.621 1.169 . . . . 1.0 113.145 172.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -61.57 -54.28 45.2 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.348 1.459 . . . . 1.0 112.527 171.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -52.57 -42.64 64.65 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.584 2.754 . . . . 1.0 112.971 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.8 -45.93 91.74 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 126.428 1.891 . . . . 1.0 112.538 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.68 96.9 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.601 1.16 . . . . 1.0 112.448 171.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -56.15 -48.41 76.33 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.534 1.534 . . . . 1.0 111.761 171.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -53.4 -46.71 69.81 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.138 2.575 . . . . 1.0 113.343 172.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.64 -44.35 86.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.564 1.546 . . . . 1.0 113.595 172.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -60.86 -33.92 73.81 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.735 1.152 . . . . 1.0 113.581 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.52 -44.83 81.4 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 127.754 2.422 . . . . 1.0 110.788 170.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -78.5 -31.27 47.61 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 127.172 2.189 . . . . 1.0 114.044 -175.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -122.71 162.16 22.52 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 116.962 2.208 . . . . 1.0 116.962 -171.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -83.02 -38.42 22.63 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 131.199 3.8 . . . . 1.0 114.457 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.19 -22.09 36.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.005 2.122 . . . . 1.0 115.471 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -97.74 110.89 23.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.791 1.636 . . . . 1.0 113.08 -171.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -114.1 130.94 56.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.91 2.484 . . . . 1.0 110.901 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.29 0.0 OUTLIER -111.72 136.66 50.67 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.115 2.566 . . . . 1.0 115.535 -171.585 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -128.97 133.54 47.85 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.661 1.584 . . . . 1.0 110.263 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -113.04 123.48 50.39 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.394 1.477 . . . . 1.0 111.699 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -122.13 113.51 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 126.902 2.081 . . . . 1.0 111.161 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.01 101.29 3.2 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.808 1.41 . . . . 1.0 114.808 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 6' ' ' PHE . 2.2 pp -74.52 -34.67 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 119.643 -1.911 . . . . 1.0 112.281 173.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -78.72 5.12 11.92 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 127.983 2.513 . . . . 1.0 113.019 172.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.26 -32.39 0.86 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 116.238 1.94 . . . . 1.0 116.238 171.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -74.39 -18.32 60.68 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 126.448 1.899 . . . . 1.0 112.285 171.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.17 54.61 1.25 Allowed Glycine 0 N--CA 1.475 1.296 0 C-N-CA 127.632 2.539 . . . . 1.0 114.972 172.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.1 mt -128.85 164.27 31.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 C-N-CA 127.468 2.307 . . . . 1.0 111.681 -172.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.401 ' OG1' ' HE3' ' B' ' 149' ' ' LYS . 2.8 t -149.19 161.41 42.05 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.198 2.599 . . . . 1.0 112.939 -172.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -26.47 23.0 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.482 1.513 . . . . 1.0 113.612 171.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.57 -31.92 72.32 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.419 2.288 . . . . 1.0 112.728 174.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.56 -56.03 4.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.437 2.295 . . . . 1.0 110.553 171.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.4 mt -54.53 -48.44 71.95 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.295 2.238 . . . . 1.0 112.802 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.596 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.7 pt20 -54.57 -40.28 68.6 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.116 1.367 . . . . 1.0 114.192 173.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -72.17 -58.41 3.44 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.505 1.922 . . . . 1.0 111.896 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -51.02 -40.0 57.18 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.395 1.078 . . . . 1.0 113.798 172.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.57 60.6 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 118.067 2.618 . . . . 1.0 118.067 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.02 38.68 24.97 Favored Glycine 0 CA--C 1.544 1.889 0 CA-C-N 120.406 1.457 . . . . 1.0 112.486 -171.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 126.63 11.3 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 128.942 2.897 . . . . 1.0 110.862 -171.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.8 55.93 5.08 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 124.48 3.454 . . . . 1.0 114.839 -172.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.596 HG22 ' HB3' ' A' ' 49' ' ' GLN . 2.9 m -69.24 150.14 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.192 0.997 . . . . 1.0 112.533 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -122.76 -32.53 3.53 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.48 1.112 . . . . 1.0 112.263 171.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.9 p -133.24 -179.08 5.28 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.355 1.862 . . . . 1.0 113.742 -174.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.485 HG21 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -89.82 158.51 44.79 Favored Pre-proline 0 N--CA 1.49 1.55 0 C-N-CA 127.15 2.18 . . . . 1.0 112.585 178.212 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.05 168.99 70.68 Favored 'Cis proline' 0 CA--C 1.542 0.888 0 N-CA-C 114.279 0.838 . . . . 1.0 114.279 4.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.411 HE22 HG11 ' A' ' 56' ' ' VAL . 87.1 mm-40 -139.35 74.97 1.49 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.74 2.016 . . . . 1.0 111.17 176.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.524 HD12 ' HB1' ' A' ' 17' ' ' ALA . 81.9 mt -99.31 150.81 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 127.911 2.484 . . . . 1.0 114.969 175.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -133.11 109.07 9.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.369 1.868 . . . . 1.0 109.812 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.16 122.31 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 125.101 1.361 . . . . 1.0 109.085 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.637 0.0 OUTLIER 52.8 17.69 0.9 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 130.257 3.423 . . . . 1.0 117.013 -170.963 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 94.56 5.93 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 1 C-N-CA 132.24 4.216 . . . . 1.0 114.894 -174.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -94.14 134.01 37.03 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 126.771 2.028 . . . . 1.0 109.98 172.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -60.74 107.82 0.75 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.841 0.856 . . . . 1.0 111.676 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.5 mm -126.04 83.79 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 128.945 2.898 . . . . 1.0 106.465 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -8.25 -56.57 0.01 OUTLIER Glycine 0 CA--C 1.542 1.736 0 C-N-CA 129.543 3.449 . . . . 1.0 118.601 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.95 -139.08 12.11 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 127.665 2.555 . . . . 1.0 111.157 -172.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.514 ' H ' ' HB2' ' A' ' 17' ' ' ALA . 37.0 t80 -33.63 -35.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 121.324 2.562 . . . . 1.0 115.153 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -62.28 1.48 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 119.894 -1.754 . . . . 1.0 113.527 170.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -62.6 1.33 Allowed 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 131.786 4.034 . . . . 1.0 114.839 177.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -43.72 -43.49 6.0 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 130.202 3.401 . . . . 1.0 112.929 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.32 70.34 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.293 1.037 . . . . 1.0 112.2 171.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.91 83.99 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.491 1.116 . . . . 1.0 112.875 172.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -58.92 -53.94 52.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.542 1.937 . . . . 1.0 113.651 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.98 -52.03 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 127.173 2.189 . . . . 1.0 110.995 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -52.82 -52.35 57.34 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 128.208 2.603 . . . . 1.0 113.132 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -56.27 -16.58 5.68 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.65 1.722 . . . . 1.0 115.65 173.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -100.11 -59.33 1.73 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 128.446 2.698 . . . . 1.0 113.381 171.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.01 -36.14 49.11 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.166 2.187 . . . . 1.0 116.081 -174.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -94.97 -0.11 54.17 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 127.023 2.129 . . . . 1.0 115.25 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.351 0 C-N-CA 130.428 3.491 . . . . 1.0 115.892 -171.686 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 N--CA 1.483 1.207 0 CA-C-O 120.553 0.216 . . . . 1.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -161.75 150.96 15.98 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.879 2.072 . . . . 1.0 112.654 171.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 153.77 -13.87 0.58 Allowed Glycine 0 N--CA 1.479 1.546 0 N-CA-C 118.376 2.11 . . . . 1.0 118.376 171.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.43 31.21 14.2 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.343 1.857 . . . . 1.0 115.362 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.25 140.22 46.71 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-O 123.227 1.489 . . . . 1.0 112.497 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . 0.401 ' HE3' ' OG1' ' A' ' 44' ' ' THR . 14.1 ptmt 176.74 176.91 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 1 C-N-CA 136.203 5.801 . . . . 1.0 107.588 -171.837 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.502 2.137 0 CA-C-N 120.826 1.648 . . . . 1.0 112.955 171.326 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.607 0.718 . . . . 1.0 109.581 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -112.9 121.95 46.18 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 128.015 2.526 . . . . 1.0 110.829 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m -120.52 118.4 30.14 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.913 1.285 . . . . 1.0 112.899 -172.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 t -115.22 121.78 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 126.495 1.918 . . . . 1.0 110.628 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 mp -107.6 122.18 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.728 2.011 . . . . 1.0 111.499 -171.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -103.02 101.36 11.34 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.022 1.729 . . . . 1.0 114.143 -172.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.54 76.41 0.73 Allowed Glycine 0 N--CA 1.48 1.567 0 C-N-CA 128.662 3.029 . . . . 1.0 117.78 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -67.93 -38.78 83.28 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 127.513 2.325 . . . . 1.0 114.454 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -62.93 -23.29 67.31 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 118.27 2.693 . . . . 1.0 118.27 -171.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.99 -9.37 60.88 Favored Glycine 0 CA--C 1.538 1.531 0 N-CA-C 118.967 2.347 . . . . 1.0 118.967 -171.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.0 p -169.48 146.7 2.95 Favored Pre-proline 0 CA--C 1.558 1.259 0 CA-C-N 120.131 1.965 . . . . 1.0 115.882 -171.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.67 -36.67 40.52 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 123.849 3.033 . . . . 1.0 114.903 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -62.03 -38.79 90.04 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.066 1.303 . . . . 1.0 112.293 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.547 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.5 t -63.97 -45.17 90.3 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.823 1.249 . . . . 1.0 111.892 171.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.61 -52.65 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 117.226 -1.369 . . . . 1.0 111.47 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -64.07 -41.07 97.48 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.837 1.655 . . . . 1.0 111.537 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -60.27 -43.45 96.17 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.231 1.413 . . . . 1.0 112.363 171.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -57.79 11.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.504 1.121 . . . . 1.0 109.917 171.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.52 -37.89 3.81 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.499 2.32 . . . . 1.0 113.856 172.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -64.98 -44.91 87.77 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.738 2.415 . . . . 1.0 112.765 171.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.51 98.75 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.39 1.076 . . . . 1.0 111.253 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -60.89 -46.54 90.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.495 -1.378 . . . . 1.0 111.783 171.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -53.95 -43.95 70.3 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 130.534 3.534 . . . . 1.0 112.271 171.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.63 -49.66 65.53 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 127.743 2.417 . . . . 1.0 113.286 172.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 t -58.66 -34.73 71.56 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 125.013 1.325 . . . . 1.0 113.734 172.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.93 -42.89 97.23 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 127.586 2.354 . . . . 1.0 111.734 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -81.34 -26.17 35.8 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 128.073 2.549 . . . . 1.0 115.804 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.0 mtm105 -137.42 149.8 47.18 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 126.563 1.945 . . . . 1.0 115.184 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.33 -31.98 48.96 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.527 1.531 . . . . 1.0 114.504 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -62.21 -22.8 66.22 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 131.18 3.792 . . . . 1.0 116.985 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -97.12 116.87 30.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.312 1.045 . . . . 1.0 112.822 -170.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -121.34 119.27 31.68 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.713 2.405 . . . . 1.0 110.908 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.31 0.1 OUTLIER -109.21 137.1 47.62 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 129.55 3.14 . . . . 1.0 117.659 -171.386 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -129.78 133.56 47.06 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.046 2.138 . . . . 1.0 111.353 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -108.01 124.07 49.62 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.015 1.326 . . . . 1.0 113.301 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.49 118.66 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 128.078 2.551 . . . . 1.0 110.37 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 0.0 OUTLIER -74.55 155.02 38.36 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 119.417 -2.052 . . . . 1.0 114.043 172.301 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -129.43 -51.68 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.407 1.483 . . . . 1.0 110.834 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -36.25 83.2 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.334 1.454 . . . . 1.0 112.349 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.82 -32.11 31.41 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 125.817 1.647 . . . . 1.0 113.957 172.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.78 -9.45 58.79 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 127.682 2.393 . . . . 1.0 116.481 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.79 19.63 39.75 Favored Glycine 0 CA--C 1.548 2.1 0 C-N-CA 125.824 1.678 . . . . 1.0 116.854 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.9 mt -118.71 156.74 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 128.92 2.888 . . . . 1.0 110.462 -173.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -142.74 167.98 20.79 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.935 1.828 . . . . 1.0 115.935 -171.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.57 -36.85 25.12 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.278 1.831 . . . . 1.0 113.305 172.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -63.8 -27.19 69.01 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.94 1.696 . . . . 1.0 113.301 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.34 -38.57 17.32 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.255 2.222 . . . . 1.0 113.253 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -67.34 -52.02 45.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.35 2.26 . . . . 1.0 113.043 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.662 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.5 pt20 -44.43 -38.88 4.33 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 126.912 2.085 . . . . 1.0 114.859 175.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -65.16 -65.31 0.69 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.704 2.402 . . . . 1.0 111.555 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -60.8 -21.65 63.34 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.614 1.965 . . . . 1.0 114.842 172.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.93 -17.23 51.22 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.627 2.371 . . . . 1.0 114.508 171.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.25 -38.06 0.68 Allowed Glycine 0 CA--C 1.542 1.739 0 C-N-CA 127.44 2.447 . . . . 1.0 114.275 -171.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -75.24 122.47 87.4 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 128.725 2.81 . . . . 1.0 111.046 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.75 77.39 0.38 Allowed 'Trans proline' 0 CA--C 1.55 1.321 0 C-N-CA 124.323 3.349 . . . . 1.0 111.474 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.662 HG22 ' HB3' ' A' ' 49' ' ' GLN . 11.3 m -68.36 154.38 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 126.183 1.793 . . . . 1.0 112.412 173.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -130.47 -18.28 3.21 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 126.815 2.046 . . . . 1.0 114.197 175.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.5 p -141.83 -178.64 5.77 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 130.479 3.511 . . . . 1.0 113.248 -173.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.12 167.0 14.39 Favored Pre-proline 0 N--CA 1.496 1.873 0 C-N-CA 126.324 1.85 . . . . 1.0 114.501 172.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.81 165.65 73.18 Favored 'Cis proline' 0 C--N 1.36 1.148 0 N-CA-C 114.73 1.012 . . . . 1.0 114.73 -5.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -136.7 80.55 1.82 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.235 2.614 . . . . 1.0 111.15 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.447 HD12 ' HB1' ' A' ' 17' ' ' ALA . 21.1 mt -111.05 151.69 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 128.561 2.745 . . . . 1.0 113.805 172.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -124.73 112.94 17.33 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.655 2.382 . . . . 1.0 109.324 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.423 HG23 ' HB ' ' A' ' 69' ' ' ILE . 17.0 t -107.86 127.81 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 125.908 1.683 . . . . 1.0 109.13 175.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 55.09 66.05 1.34 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 131.183 3.793 . . . . 1.0 110.01 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 57.22 3.32 0.15 Allowed 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 128.596 2.759 . . . . 1.0 116.771 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.88 159.82 40.97 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.795 2.038 . . . . 1.0 113.793 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.23 125.69 24.66 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.984 1.846 . . . . 1.0 115.984 -172.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.423 ' HB ' HG23 ' A' ' 64' ' ' VAL . 47.5 mm -140.53 97.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 129.756 3.223 . . . . 1.0 103.781 171.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -14.71 -59.01 0.01 OUTLIER Glycine 0 N--CA 1.476 1.348 0 C-N-CA 129.141 3.258 . . . . 1.0 117.659 -171.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.48 -147.87 19.17 Favored Glycine 0 C--O 1.221 -0.659 0 C-N-CA 126.421 1.962 . . . . 1.0 109.94 -172.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -34.16 -50.13 0.39 Allowed 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 127.781 2.432 . . . . 1.0 111.994 -173.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -60.18 3.66 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 128.786 2.835 . . . . 1.0 115.322 170.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -51.43 43.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.088 2.155 . . . . 1.0 111.402 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -54.79 19.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.286 2.234 . . . . 1.0 114.194 172.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.19 -49.48 71.8 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.135 0.974 . . . . 1.0 112.249 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.72 95.73 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.375 1.07 . . . . 1.0 113.426 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -60.78 -53.11 61.42 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.191 2.196 . . . . 1.0 112.763 176.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.9 t -56.58 -51.09 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 126.419 1.888 . . . . 1.0 111.137 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -55.07 -54.99 36.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.731 2.012 . . . . 1.0 112.942 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -13.05 1.58 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.67 2.388 . . . . 1.0 115.208 173.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -98.68 -59.9 1.65 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.166 2.186 . . . . 1.0 111.931 171.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.6 mt -78.37 -62.78 1.57 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.98 2.112 . . . . 1.0 113.427 -172.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.55 0.71 7.88 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 128.957 2.903 . . . . 1.0 114.805 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 C-N-CA 130.093 3.357 . . . . 1.0 113.662 -172.865 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.821 0.82 . . . . 1.0 110.832 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -136.2 151.0 49.25 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.518 1.927 . . . . 1.0 112.972 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 161.43 -4.15 0.08 OUTLIER Glycine 0 CA--C 1.538 1.478 0 C-N-CA 126.312 1.911 . . . . 1.0 117.23 171.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.02 18.25 1.63 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 128.34 2.656 . . . . 1.0 116.223 172.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.39 112.92 17.1 Favored 'General case' 0 CA--C 1.544 0.733 1 C-N-CA 132.316 4.246 . . . . 1.0 113.686 -171.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt 177.27 166.59 0.59 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 129.443 3.097 . . . . 1.0 112.332 -171.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.495 1.8 0 C-N-CA 128.356 2.662 . . . . 1.0 116.814 -175.3 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ttm . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.72 -0.181 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.36 124.11 51.75 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.029 1.332 . . . . 1.0 112.027 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.9 m -121.03 122.87 41.04 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 126.846 2.059 . . . . 1.0 111.953 -176.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.1 t -114.71 131.99 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 C-N-CA 126.8 2.04 . . . . 1.0 111.137 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mt -119.95 132.96 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.718 2.007 . . . . 1.0 111.577 -169.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -112.42 116.19 29.91 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.366 1.466 . . . . 1.0 113.855 -176.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.8 72.61 0.81 Allowed Glycine 0 N--CA 1.482 1.717 0 N-CA-C 120.457 2.943 . . . . 1.0 120.457 169.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -63.03 -38.47 91.32 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 126.298 1.839 . . . . 1.0 115.069 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -70.78 117.45 12.31 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.408 2.683 . . . . 1.0 115.057 -171.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.83 -7.11 17.51 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 119.267 2.467 . . . . 1.0 119.267 170.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -157.41 146.49 14.86 Favored Pre-proline 0 CA--C 1.556 1.206 0 CA-C-N 120.541 2.17 . . . . 1.0 115.426 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.72 -41.59 7.99 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 123.631 2.887 . . . . 1.0 114.544 -171.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.5 -37.94 85.5 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.119 0.968 . . . . 1.0 113.448 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -66.67 -38.72 87.4 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.591 1.156 . . . . 1.0 113.935 172.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.6 -54.09 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-O 118.137 -0.935 . . . . 1.0 110.83 170.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -55.47 -44.25 76.26 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.462 1.105 . . . . 1.0 111.495 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.0 69.7 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.225 1.41 . . . . 1.0 114.585 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -52.2 65.73 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.416 1.486 . . . . 1.0 113.058 174.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.82 -36.16 71.86 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.851 1.66 . . . . 1.0 114.463 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mp -62.15 -43.19 99.37 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.109 1.763 . . . . 1.0 113.747 169.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.03 99.22 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.428 1.091 . . . . 1.0 112.668 170.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -60.34 -44.38 95.58 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.158 1.383 . . . . 1.0 113.268 170.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -53.49 -55.61 23.93 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 128.337 2.655 . . . . 1.0 111.343 169.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.5 mt -53.36 -48.15 68.8 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 126.593 1.957 . . . . 1.0 113.482 171.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 t -62.9 -41.04 99.29 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.677 1.591 . . . . 1.0 114.674 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -40.81 95.69 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.684 1.594 . . . . 1.0 112.257 170.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -71.64 -29.26 64.44 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.596 2.359 . . . . 1.0 115.091 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -130.72 160.46 34.26 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 120.872 1.669 . . . . 1.0 115.079 -170.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -76.15 -40.7 52.02 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.505 2.322 . . . . 1.0 114.636 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -85.67 -15.02 43.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.182 2.193 . . . . 1.0 116.649 -170.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -96.32 97.05 9.17 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.429 1.892 . . . . 1.0 114.609 -168.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.61 129.11 44.07 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.794 1.637 . . . . 1.0 109.089 175.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.272 0.0 OUTLIER -110.03 139.14 45.46 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 115.18 1.548 . . . . 1.0 115.18 -177.061 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -126.45 140.47 52.45 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 128.394 2.678 . . . . 1.0 109.94 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -128.5 125.64 38.82 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.954 2.102 . . . . 1.0 112.791 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -120.92 114.61 44.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 129.177 2.991 . . . . 1.0 111.67 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.492 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.289 0.0 OUTLIER -69.93 86.66 0.53 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.839 2.456 . . . . 1.0 117.478 174.516 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.27 -35.71 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 119.82 -1.8 . . . . 1.0 112.784 174.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -77.56 5.93 8.12 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 127.349 2.26 . . . . 1.0 115.126 172.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -126.14 -47.36 1.62 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.594 1.558 . . . . 1.0 112.113 169.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.91 -15.79 34.87 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 127.916 2.486 . . . . 1.0 115.124 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.03 53.03 2.93 Favored Glycine 0 N--CA 1.484 1.835 0 C-N-CA 127.344 2.402 . . . . 1.0 115.478 170.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.1 mt -138.85 162.14 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 127.683 2.393 . . . . 1.0 113.472 -169.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -154.21 169.07 24.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 128.152 2.581 . . . . 1.0 114.137 -173.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -30.31 21.15 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 127.5 2.32 . . . . 1.0 115.781 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -68.05 -39.34 83.05 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 127.29 2.236 . . . . 1.0 111.176 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.49 -50.52 21.08 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.903 2.481 . . . . 1.0 112.131 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 mt -57.37 -47.07 82.62 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.031 1.732 . . . . 1.0 113.057 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.612 ' HB3' HG22 ' A' ' 56' ' ' VAL . 7.4 pt20 -56.07 -27.97 55.66 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.086 1.513 . . . . 1.0 115.086 171.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -80.91 -58.62 3.0 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.995 1.718 . . . . 1.0 111.757 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -57.52 -34.51 69.19 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.286 1.434 . . . . 1.0 114.435 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.5 76.18 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 117.15 2.278 . . . . 1.0 117.15 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.0 16.63 66.69 Favored Glycine 0 CA--C 1.552 2.364 0 C-N-CA 124.584 1.087 . . . . 1.0 114.761 -169.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -126.8 126.81 24.5 Favored Pre-proline 0 N--CA 1.482 1.144 0 C-N-CA 130.84 3.656 . . . . 1.0 108.725 175.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.64 131.12 23.6 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 123.031 2.487 . . . . 1.0 111.223 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.612 HG22 ' HB3' ' A' ' 49' ' ' GLN . 4.3 m -128.77 166.43 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.251 1.82 . . . . 1.0 112.255 175.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -122.11 -48.81 2.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.681 1.192 . . . . 1.0 113.361 171.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 -175.27 3.87 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.6 2.76 . . . . 1.0 111.772 -171.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.77 158.89 70.12 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 119.984 -1.697 . . . . 1.0 111.201 171.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.77 170.56 70.11 Favored 'Cis proline' 0 CA--C 1.546 1.109 0 N-CA-C 114.984 1.109 . . . . 1.0 114.984 6.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -145.91 85.46 1.69 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.108 2.163 . . . . 1.0 110.358 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.2 mt -115.75 133.47 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 126.436 1.894 . . . . 1.0 113.392 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -110.05 97.41 6.91 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.833 2.053 . . . . 1.0 110.651 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 t -81.87 143.7 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 C-N-CA 124.807 1.243 . . . . 1.0 108.989 170.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 49.73 17.09 0.24 Allowed 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 116.583 2.068 . . . . 1.0 116.583 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.263 0.0 OUTLIER 72.76 12.14 5.34 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 130.535 3.534 . . . . 1.0 114.992 -169.48 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -91.77 141.29 28.83 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.516 3.126 . . . . 1.0 110.574 170.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -70.66 106.39 3.5 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.818 -1.176 . . . . 1.0 113.808 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.5 mm -99.12 168.79 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 C-N-CA 127.626 2.37 . . . . 1.0 107.599 168.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.17 -69.49 1.36 Allowed Glycine 0 CA--C 1.542 1.734 0 O-C-N 118.789 -2.444 . . . . 1.0 113.157 170.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.426 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 128.45 -137.78 9.91 Favored Glycine 0 N--CA 1.473 1.152 0 C-N-CA 128.388 2.899 . . . . 1.0 109.919 -169.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -30.7 -52.73 0.17 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 127.192 2.197 . . . . 1.0 116.138 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -64.02 0.95 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 126.754 2.022 . . . . 1.0 114.018 170.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.426 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.8 OUTLIER -65.05 -56.9 10.39 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 130.018 3.327 . . . . 1.0 111.035 -178.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -35.49 24.42 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 128.037 2.535 . . . . 1.0 114.976 177.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.87 -52.46 56.45 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.267 1.027 . . . . 1.0 112.631 170.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.24 97.45 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.216 1.406 . . . . 1.0 113.433 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -52.98 -50.38 64.25 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.221 2.608 . . . . 1.0 113.793 171.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 63.8 t -60.01 -51.27 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.62 1.168 . . . . 1.0 112.137 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -53.71 -51.65 62.59 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 126.969 2.108 . . . . 1.0 113.452 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -56.37 -13.09 1.96 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 129.176 2.991 . . . . 1.0 114.86 170.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -103.06 -45.07 5.04 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.659 2.384 . . . . 1.0 116.622 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.11 -30.85 13.84 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.538 2.051 . . . . 1.0 116.538 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -107.92 2.46 23.38 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 128.004 2.522 . . . . 1.0 115.58 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.29 0 C-N-CA 130.346 3.458 . . . . 1.0 115.713 178.486 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.751 0.31 . . . . 1.0 111.278 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.54 159.58 43.59 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.204 1.402 . . . . 1.0 114.267 170.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 152.92 -14.39 0.67 Allowed Glycine 0 N--CA 1.476 1.361 0 N-CA-C 118.781 2.272 . . . . 1.0 118.781 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 51.27 26.46 3.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 116.431 2.011 . . . . 1.0 116.431 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.53 110.28 5.32 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 126.565 1.946 . . . . 1.0 109.156 175.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -179.48 143.43 0.19 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 129.47 3.108 . . . . 1.0 112.05 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.386 9.1 tp . . . . . 0 N--CA 1.479 1.009 1 C-N-CA 132.157 4.183 . . . . 1.0 117.882 171.648 . . . . . . . . 2 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -118.77 116.09 25.82 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.921 1.288 . . . . 1.0 111.156 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -117.38 116.2 26.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.489 1.516 . . . . 1.0 112.657 -169.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.97 131.8 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 126.327 1.851 . . . . 1.0 110.996 -173.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.44 118.82 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.145 2.178 . . . . 1.0 112.179 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -98.97 94.72 6.7 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.327 1.851 . . . . 1.0 113.308 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.31 77.89 0.99 Allowed Glycine 0 CA--C 1.545 1.946 0 C-N-CA 127.626 2.536 . . . . 1.0 118.804 169.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -68.2 -48.74 64.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 127.365 2.266 . . . . 1.0 114.266 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -61.25 143.31 55.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.781 1.633 . . . . 1.0 112.326 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.62 -7.07 9.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 128.067 2.746 . . . . 1.0 119.58 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -134.95 113.31 11.56 Favored Pre-proline 0 CA--C 1.562 1.406 0 CA-C-N 121.27 2.535 . . . . 1.0 115.484 172.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -62.57 -33.44 78.14 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 125.269 3.979 . . . . 1.0 115.725 -170.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.02 -36.73 77.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.851 0.86 . . . . 1.0 111.851 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -65.19 -38.59 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.027 2.131 . . . . 1.0 113.689 170.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.82 -54.15 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.856 1.262 . . . . 1.0 112.009 172.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -55.13 -43.92 74.57 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.221 0.918 . . . . 1.0 110.925 174.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.35 77.94 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 114.528 1.307 . . . . 1.0 114.528 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.79 -58.0 10.29 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.292 1.837 . . . . 1.0 112.452 171.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -35.6 71.73 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.81 1.644 . . . . 1.0 114.844 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.54 -43.06 99.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.432 1.493 . . . . 1.0 112.752 168.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.53 97.27 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.986 -1.072 . . . . 1.0 112.199 169.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -60.53 -43.79 96.79 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 1.0 113.774 170.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -51.68 -55.6 18.54 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 128.204 2.601 . . . . 1.0 110.616 170.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.13 -43.81 98.31 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.912 1.685 . . . . 1.0 112.968 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -59.72 -47.33 86.07 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.786 1.635 . . . . 1.0 113.883 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -41.3 81.74 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.584 1.954 . . . . 1.0 112.143 169.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.13 -35.47 48.99 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.218 2.607 . . . . 1.0 114.768 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -121.12 173.13 7.48 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 127.229 2.212 . . . . 1.0 115.685 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -92.17 -40.61 10.91 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 128.988 2.915 . . . . 1.0 115.366 -176.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.33 -11.78 48.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.283 2.633 . . . . 1.0 116.908 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -95.75 109.11 21.47 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.028 1.331 . . . . 1.0 114.589 -168.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -123.19 134.42 54.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.907 2.883 . . . . 1.0 112.022 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.279 0.1 OUTLIER -112.52 141.03 46.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.827 2.851 . . . . 1.0 114.534 -172.411 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -126.39 132.18 51.59 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.331 1.852 . . . . 1.0 108.859 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -124.14 125.34 44.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.943 1.697 . . . . 1.0 112.672 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -130.19 113.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 127.632 2.373 . . . . 1.0 111.168 -175.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.567 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -68.01 99.66 0.89 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.888 1.81 . . . . 1.0 115.888 173.624 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.96 -39.11 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 119.409 -2.057 . . . . 1.0 112.527 174.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -69.18 -10.56 58.3 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 127.3 2.24 . . . . 1.0 115.282 171.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -116.68 -44.82 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 119.95 1.25 . . . . 1.0 113.261 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -35.48 78.35 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.349 1.86 . . . . 1.0 113.047 170.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.72 46.73 1.02 Allowed Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.597 2.522 . . . . 1.0 115.723 171.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -124.57 159.34 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 129.213 3.005 . . . . 1.0 110.785 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 163.61 36.55 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.592 1.557 . . . . 1.0 114.543 -171.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -17.87 24.09 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 116.267 1.951 . . . . 1.0 116.267 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.41 -30.73 63.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.22 2.608 . . . . 1.0 112.323 171.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -86.36 -48.32 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.253 2.621 . . . . 1.0 112.861 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -55.05 -38.28 67.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.913 1.285 . . . . 1.0 113.797 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -62.84 -12.36 24.16 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 126.816 2.046 . . . . 1.0 115.39 170.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -101.12 -50.79 3.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 128.758 2.823 . . . . 1.0 110.574 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -50.92 -43.24 59.92 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 126.665 1.986 . . . . 1.0 114.197 171.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.05 60.45 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.186 2.194 . . . . 1.0 116.434 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.46 48.39 11.74 Favored Glycine 0 N--CA 1.479 1.544 0 C-N-CA 125.186 1.374 . . . . 1.0 110.58 -168.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 132.61 8.0 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.811 1.644 . . . . 1.0 113.23 -168.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.75 92.01 0.51 Allowed 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 123.592 2.861 . . . . 1.0 110.918 172.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.26 159.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 127.388 2.275 . . . . 1.0 110.589 172.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -132.67 -26.49 1.79 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.512 1.125 . . . . 1.0 112.815 169.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 p -123.12 178.12 5.24 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 127.963 2.505 . . . . 1.0 113.408 -172.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.08 161.16 32.01 Favored Pre-proline 0 N--CA 1.486 1.341 0 C-N-CA 127.372 2.269 . . . . 1.0 111.426 170.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.61 165.79 82.43 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 N-CA-C 115.087 1.149 . . . . 1.0 115.087 1.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -138.41 81.19 1.84 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.79 2.436 . . . . 1.0 110.912 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.7 mt -113.63 151.98 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 127.833 2.453 . . . . 1.0 113.405 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -133.48 104.73 6.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.029 2.132 . . . . 1.0 109.471 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -89.06 124.6 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 126.115 1.766 . . . . 1.0 109.589 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.447 0.0 OUTLIER 40.94 45.7 2.25 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 127.639 2.375 . . . . 1.0 113.023 -170.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 71.32 4.21 4.97 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 130.23 3.412 . . . . 1.0 117.688 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.13 132.25 43.1 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 127.765 2.426 . . . . 1.0 111.131 173.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.26 107.26 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.029 -1.044 . . . . 1.0 113.171 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.8 mm -122.44 89.52 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 128.103 2.561 . . . . 1.0 105.484 169.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.18 -55.75 0.01 OUTLIER Glycine 0 CA--C 1.539 1.567 0 C-N-CA 129.247 3.308 . . . . 1.0 118.212 -170.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.31 -144.15 15.69 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.791 2.615 . . . . 1.0 111.517 -175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -30.39 -43.32 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 128.378 2.671 . . . . 1.0 116.097 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 t -64.66 -63.8 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.815 2.046 . . . . 1.0 115.13 169.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -55.13 36.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.751 2.82 . . . . 1.0 114.192 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -51.72 -39.95 59.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 129.631 3.172 . . . . 1.0 113.389 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.38 67.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.176 1.39 . . . . 1.0 113.117 171.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.04 90.59 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.735 1.214 . . . . 1.0 112.346 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -56.06 -54.37 45.83 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.569 1.947 . . . . 1.0 113.44 173.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.17 -46.7 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.214 1.006 . . . . 1.0 112.544 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -58.45 -52.02 67.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.914 1.285 . . . . 1.0 113.134 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.84 -12.09 9.83 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.461 1.652 . . . . 1.0 115.461 171.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -97.74 -52.96 3.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.87 1.668 . . . . 1.0 111.782 171.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.1 mt -85.98 -30.07 23.03 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.359 1.985 . . . . 1.0 116.359 -172.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.62 6.85 42.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 126.649 1.98 . . . . 1.0 114.26 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 126.981 2.112 . . . . 1.0 113.574 173.818 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 114.059 1.133 . . . . 1.0 114.059 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 167.52 1.17 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 127.652 2.381 . . . . 1.0 115.453 170.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.94 -13.85 3.34 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 119.864 2.706 . . . . 1.0 119.864 168.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.19 34.89 9.26 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.679 1.74 . . . . 1.0 114.584 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 144.04 51.87 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 126.725 2.01 . . . . 1.0 115.197 -168.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 172.61 0.98 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 130.712 3.605 . . . . 1.0 112.195 -171.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.495 1.799 0 C-N-CA 128.466 2.706 . . . . 1.0 114.147 171.487 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -118.77 116.09 25.82 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.921 1.288 . . . . 1.0 111.156 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -117.38 116.2 26.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.489 1.516 . . . . 1.0 112.657 -169.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.97 131.8 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 126.327 1.851 . . . . 1.0 110.996 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.44 118.82 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.145 2.178 . . . . 1.0 112.179 -169.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -98.97 94.72 6.7 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.327 1.851 . . . . 1.0 113.308 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.31 77.89 0.99 Allowed Glycine 0 CA--C 1.545 1.946 0 C-N-CA 127.626 2.536 . . . . 1.0 118.804 169.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -68.2 -48.74 64.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 127.365 2.266 . . . . 1.0 114.266 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -61.25 143.31 55.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.781 1.633 . . . . 1.0 112.326 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.62 -7.07 9.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 128.067 2.746 . . . . 1.0 119.58 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -134.95 113.31 11.56 Favored Pre-proline 0 CA--C 1.562 1.406 0 CA-C-N 121.27 2.535 . . . . 1.0 115.484 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -62.57 -33.44 78.14 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 125.269 3.979 . . . . 1.0 115.725 -170.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.02 -36.73 77.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.851 0.86 . . . . 1.0 111.851 174.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -65.19 -38.59 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.027 2.131 . . . . 1.0 113.689 170.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.82 -54.15 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.856 1.262 . . . . 1.0 112.009 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -55.13 -43.92 74.57 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.221 0.918 . . . . 1.0 110.925 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.35 77.94 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 114.528 1.307 . . . . 1.0 114.528 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.79 -58.0 10.29 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.292 1.837 . . . . 1.0 112.452 171.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -35.6 71.73 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.81 1.644 . . . . 1.0 114.844 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.54 -43.06 99.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.432 1.493 . . . . 1.0 112.752 168.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.53 97.27 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.986 -1.072 . . . . 1.0 112.199 169.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -60.53 -43.79 96.79 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 1.0 113.774 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -51.68 -55.6 18.54 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 128.204 2.601 . . . . 1.0 110.616 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.13 -43.81 98.31 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.912 1.685 . . . . 1.0 112.968 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -59.72 -47.33 86.07 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.786 1.635 . . . . 1.0 113.883 174.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -41.3 81.74 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.584 1.954 . . . . 1.0 112.143 169.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.13 -35.47 48.99 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.218 2.607 . . . . 1.0 114.768 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -121.12 173.13 7.48 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 127.229 2.212 . . . . 1.0 115.685 -170.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -92.17 -40.61 10.91 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 128.988 2.915 . . . . 1.0 115.366 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.33 -11.78 48.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.283 2.633 . . . . 1.0 116.908 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -95.75 109.11 21.47 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.028 1.331 . . . . 1.0 114.589 -168.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -123.19 134.42 54.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.907 2.883 . . . . 1.0 112.022 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.279 0.1 OUTLIER -112.52 141.03 46.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.827 2.851 . . . . 1.0 114.534 -172.411 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -126.39 132.18 51.59 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.331 1.852 . . . . 1.0 108.859 172.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -124.14 125.34 44.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.943 1.697 . . . . 1.0 112.672 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -130.19 113.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 127.632 2.373 . . . . 1.0 111.168 -175.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.567 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -68.01 99.66 0.89 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.888 1.81 . . . . 1.0 115.888 173.624 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.96 -39.11 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 119.409 -2.057 . . . . 1.0 112.527 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -69.18 -10.56 58.3 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 127.3 2.24 . . . . 1.0 115.282 171.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -116.68 -44.82 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 119.95 1.25 . . . . 1.0 113.261 177.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -35.48 78.35 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.349 1.86 . . . . 1.0 113.047 170.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.72 46.73 1.02 Allowed Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.597 2.522 . . . . 1.0 115.723 171.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -124.57 159.34 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 129.213 3.005 . . . . 1.0 110.785 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 163.61 36.55 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.592 1.557 . . . . 1.0 114.543 -171.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -17.87 24.09 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 116.267 1.951 . . . . 1.0 116.267 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.41 -30.73 63.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.22 2.608 . . . . 1.0 112.323 171.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -86.36 -48.32 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.253 2.621 . . . . 1.0 112.861 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -55.05 -38.28 67.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.913 1.285 . . . . 1.0 113.797 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -62.84 -12.36 24.16 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 126.816 2.046 . . . . 1.0 115.39 170.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -101.12 -50.79 3.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 128.758 2.823 . . . . 1.0 110.574 173.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -50.92 -43.24 59.92 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 126.665 1.986 . . . . 1.0 114.197 171.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.05 60.45 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.186 2.194 . . . . 1.0 116.434 172.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.46 48.39 11.74 Favored Glycine 0 N--CA 1.479 1.544 0 C-N-CA 125.186 1.374 . . . . 1.0 110.58 -168.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 132.61 8.0 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.811 1.644 . . . . 1.0 113.23 -168.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.75 92.01 0.51 Allowed 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 123.592 2.861 . . . . 1.0 110.918 172.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.26 159.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 127.388 2.275 . . . . 1.0 110.589 172.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -132.67 -26.49 1.79 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.512 1.125 . . . . 1.0 112.815 169.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 p -123.12 178.12 5.24 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 127.963 2.505 . . . . 1.0 113.408 -172.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.08 161.16 32.01 Favored Pre-proline 0 N--CA 1.486 1.341 0 C-N-CA 127.372 2.269 . . . . 1.0 111.426 170.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.61 165.79 82.43 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 N-CA-C 115.087 1.149 . . . . 1.0 115.087 1.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -138.41 81.19 1.84 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.79 2.436 . . . . 1.0 110.912 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.7 mt -113.63 151.98 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 127.833 2.453 . . . . 1.0 113.405 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -133.48 104.73 6.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.029 2.132 . . . . 1.0 109.471 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -89.06 124.6 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 126.115 1.766 . . . . 1.0 109.589 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.447 0.0 OUTLIER 40.94 45.7 2.25 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 127.639 2.375 . . . . 1.0 113.023 -170.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 71.32 4.21 4.97 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 130.23 3.412 . . . . 1.0 117.688 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.13 132.25 43.1 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 127.765 2.426 . . . . 1.0 111.131 173.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.26 107.26 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.029 -1.044 . . . . 1.0 113.171 175.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.8 mm -122.44 89.52 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 128.103 2.561 . . . . 1.0 105.484 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.18 -55.75 0.01 OUTLIER Glycine 0 CA--C 1.539 1.567 0 C-N-CA 129.247 3.308 . . . . 1.0 118.212 -170.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.31 -144.15 15.69 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.791 2.615 . . . . 1.0 111.517 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -30.39 -43.32 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 128.378 2.671 . . . . 1.0 116.097 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 t -64.66 -63.8 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.815 2.046 . . . . 1.0 115.13 169.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -55.13 36.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.751 2.82 . . . . 1.0 114.192 176.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -51.72 -39.95 59.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 129.631 3.172 . . . . 1.0 113.389 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.38 67.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.176 1.39 . . . . 1.0 113.117 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.04 90.59 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.735 1.214 . . . . 1.0 112.346 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -56.06 -54.37 45.83 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.569 1.947 . . . . 1.0 113.44 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.17 -46.7 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.214 1.006 . . . . 1.0 112.544 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -58.45 -52.02 67.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.914 1.285 . . . . 1.0 113.134 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.84 -12.09 9.83 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.461 1.652 . . . . 1.0 115.461 171.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -97.74 -52.96 3.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.87 1.668 . . . . 1.0 111.782 171.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.1 mt -85.98 -30.07 23.03 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.359 1.985 . . . . 1.0 116.359 -172.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.62 6.85 42.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 126.649 1.98 . . . . 1.0 114.26 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 126.981 2.112 . . . . 1.0 113.574 173.818 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 114.059 1.133 . . . . 1.0 114.059 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 167.52 1.17 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 127.652 2.381 . . . . 1.0 115.453 170.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.94 -13.85 3.34 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 119.864 2.706 . . . . 1.0 119.864 168.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.19 34.89 9.26 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.679 1.74 . . . . 1.0 114.584 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 144.04 51.87 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 126.725 2.01 . . . . 1.0 115.197 -168.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 172.61 0.98 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 130.712 3.605 . . . . 1.0 112.195 -171.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.495 1.799 0 C-N-CA 128.466 2.706 . . . . 1.0 114.147 171.487 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.446 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 4.3 ttm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.025 -0.036 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.54 111.41 17.64 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 124.262 1.025 . . . . 1.0 113.039 -177.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.5 m -110.05 116.06 30.89 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 125.915 1.686 . . . . 1.0 112.446 -170.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 t -109.78 117.53 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 127.419 2.288 . . . . 1.0 110.979 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mp -106.97 123.43 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 127.132 2.173 . . . . 1.0 112.228 -173.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -101.09 101.8 12.63 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.478 1.911 . . . . 1.0 112.949 -174.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.75 69.47 1.4 Allowed Glycine 0 CA--C 1.534 1.224 0 N-CA-C 118.108 2.003 . . . . 1.0 118.108 170.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -61.13 -46.0 92.36 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.804 2.041 . . . . 1.0 113.352 171.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 t -65.56 108.72 2.12 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.817 2.847 . . . . 1.0 114.047 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.59 -4.32 23.08 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 126.681 2.086 . . . . 1.0 118.013 171.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 p -148.51 122.52 4.79 Favored Pre-proline 0 CA--C 1.563 1.46 0 CA-C-N 120.275 2.038 . . . . 1.0 114.466 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.34 -32.45 50.63 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 124.421 3.414 . . . . 1.0 114.796 -173.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -58.5 -38.92 78.69 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.244 1.417 . . . . 1.0 112.259 172.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -67.73 -43.81 79.07 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.952 1.701 . . . . 1.0 113.553 170.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -54.08 -53.97 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 CA-C-O 117.673 -1.156 . . . . 1.0 111.569 172.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -59.16 -44.44 92.12 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 119.272 0.942 . . . . 1.0 112.243 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.31 77.62 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 124.166 0.986 . . . . 1.0 113.496 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -61.4 2.53 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.925 1.29 . . . . 1.0 111.459 170.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.85 -39.15 58.4 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.986 2.114 . . . . 1.0 114.258 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -58.27 -45.43 87.88 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 126.283 1.833 . . . . 1.0 112.626 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.8 95.55 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.158 1.383 . . . . 1.0 112.926 170.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -59.98 -46.37 89.66 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.025 -1.047 . . . . 1.0 112.998 171.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -53.08 -52.91 57.08 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 126.509 1.924 . . . . 1.0 112.365 171.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.85 -41.96 92.59 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.285 1.434 . . . . 1.0 112.999 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -61.6 -37.63 84.61 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 172.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -41.59 97.41 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.373 1.469 . . . . 1.0 112.073 169.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -75.75 -34.36 60.27 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 128.514 2.725 . . . . 1.0 115.949 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -114.94 168.01 10.29 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 116.189 1.922 . . . . 1.0 116.189 -169.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -77.33 -52.0 9.9 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.447 2.299 . . . . 1.0 112.514 170.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -76.67 -18.09 58.76 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 128.565 2.746 . . . . 1.0 118.049 -172.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -95.14 112.62 24.3 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.703 1.371 . . . . 1.0 114.703 -168.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -126.23 133.66 51.43 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 127.834 2.454 . . . . 1.0 112.412 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.288 0.1 OUTLIER -114.58 140.25 48.94 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 117.189 2.292 . . . . 1.0 117.189 -170.286 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -126.67 134.29 50.75 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 127.306 2.242 . . . . 1.0 110.215 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -114.59 123.37 49.18 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.016 1.726 . . . . 1.0 112.544 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.84 115.72 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 128.921 2.889 . . . . 1.0 111.103 -177.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.71 94.28 1.01 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.035 1.865 . . . . 1.0 116.035 172.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.48 -43.07 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.405 -1.435 . . . . 1.0 112.159 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -68.85 -4.6 16.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.392 2.277 . . . . 1.0 115.12 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.64 -26.9 2.19 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 117.14 2.274 . . . . 1.0 117.14 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -10.72 59.81 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 120.68 1.582 . . . . 1.0 113.291 169.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.21 56.35 1.71 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 127.504 2.478 . . . . 1.0 113.854 177.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.6 mt -134.5 148.22 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 127.523 2.329 . . . . 1.0 111.924 -174.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -143.26 165.81 26.44 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.652 2.381 . . . . 1.0 112.403 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -27.66 8.52 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.673 1.989 . . . . 1.0 115.784 174.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -67.8 -42.0 82.27 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.654 1.981 . . . . 1.0 112.188 173.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -67.89 -52.5 35.72 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.943 1.697 . . . . 1.0 110.976 170.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.9 mt -54.92 -45.5 74.78 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.575 1.55 . . . . 1.0 114.496 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.427 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.2 pt20 -61.2 -19.65 61.86 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.885 1.439 . . . . 1.0 114.885 172.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -89.74 -54.95 3.83 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 127.488 2.315 . . . . 1.0 111.961 170.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -46.16 -45.98 16.99 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 127.514 2.326 . . . . 1.0 113.474 171.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.03 -14.02 60.56 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 116.738 2.125 . . . . 1.0 116.738 174.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.95 42.28 6.4 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.007 1.765 . . . . 1.0 112.584 -169.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.97 132.65 14.96 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.97 2.108 . . . . 1.0 111.015 -169.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.54 67.83 2.17 Favored 'Trans proline' 0 CA--C 1.551 1.355 0 C-N-CA 124.137 3.225 . . . . 1.0 114.298 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG22 ' HB3' ' A' ' 49' ' ' GLN . 2.1 m -90.66 165.32 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 C-N-CA 126.768 2.027 . . . . 1.0 112.702 175.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -135.99 -50.37 0.7 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 125.329 1.451 . . . . 1.0 111.278 168.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.7 p -105.54 -177.19 3.29 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 126.738 2.015 . . . . 1.0 115.234 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.36 155.03 39.23 Favored Pre-proline 0 N--CA 1.495 1.817 0 C-N-CA 127.477 2.311 . . . . 1.0 112.615 177.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.74 169.05 71.69 Favored 'Cis proline' 0 CA--C 1.543 0.939 0 N-CA-C 115.005 1.117 . . . . 1.0 115.005 8.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -144.02 96.63 2.92 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.904 2.081 . . . . 1.0 110.313 171.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.3 mt -117.26 153.43 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 C-N-CA 128.852 2.861 . . . . 1.0 113.831 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -128.3 107.05 9.45 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.987 2.115 . . . . 1.0 109.629 174.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.8 t -90.87 127.08 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 126.265 1.826 . . . . 1.0 109.496 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.45 0.0 OUTLIER 45.87 39.99 6.09 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.396 1.879 . . . . 1.0 114.498 -169.112 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 64.34 6.72 3.17 Favored 'General case' 0 CA--C 1.568 1.672 0 C-N-CA 129.071 2.948 . . . . 1.0 115.955 -173.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -92.23 138.04 31.86 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.651 2.78 . . . . 1.0 111.16 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -61.43 108.63 0.98 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.489 -1.382 . . . . 1.0 113.158 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.7 mm -127.98 96.37 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 127.842 2.457 . . . . 1.0 106.453 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -21.91 -55.13 0.02 OUTLIER Glycine 0 CA--C 1.545 1.925 0 C-N-CA 128.77 3.081 . . . . 1.0 119.046 -170.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -139.83 11.27 Favored Glycine 0 N--CA 1.476 1.323 0 C-N-CA 128.014 2.721 . . . . 1.0 112.958 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -31.5 -40.61 0.04 OUTLIER 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 128.602 2.761 . . . . 1.0 116.35 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.43 -65.01 0.74 Allowed 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 126.936 2.095 . . . . 1.0 113.939 168.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -48.06 58.16 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 131.637 3.975 . . . . 1.0 113.11 -168.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -54.2 -48.44 71.0 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 130.63 3.572 . . . . 1.0 113.394 171.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.56 -52.94 61.45 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.176 1.79 . . . . 1.0 112.674 172.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.79 -43.28 65.77 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.85 1.26 . . . . 1.0 113.568 171.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -60.18 -53.62 55.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.374 2.27 . . . . 1.0 113.61 170.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.2 t -50.94 -47.87 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.597 1.159 . . . . 1.0 111.491 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -60.57 -39.12 86.85 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.717 2.007 . . . . 1.0 114.322 173.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.91 -12.38 24.82 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 126.546 1.938 . . . . 1.0 113.846 168.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -103.25 -60.64 1.52 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.729 2.012 . . . . 1.0 113.624 169.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.3 mt -72.23 -28.64 63.29 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.012 2.125 . . . . 1.0 115.76 -172.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -109.27 6.65 24.76 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.168 1.787 . . . . 1.0 115.17 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.432 0 N-CA-C 117.724 2.49 . . . . 1.0 117.724 -170.665 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 109.578 -0.527 . . . . 1.0 109.578 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.7 t -155.41 153.78 30.91 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.531 1.932 . . . . 1.0 114.816 172.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 135.84 -10.02 4.24 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 127.298 2.38 . . . . 1.0 117.385 169.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 49.65 36.36 10.49 Favored 'General case' 0 CA--C 1.561 1.401 0 CA-C-N 120.033 1.916 . . . . 1.0 115.534 169.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 137.1 50.26 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 126.331 1.852 . . . . 1.0 113.463 -169.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -179.55 173.21 1.08 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 130.528 3.531 . . . . 1.0 111.574 -172.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.492 1.646 0 C-N-CA 128.97 2.908 . . . . 1.0 114.232 172.853 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ttm . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 119.091 -0.48 . . . . 1.0 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -106.56 118.87 37.79 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.167 1.787 . . . . 1.0 113.11 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.0 m -112.17 110.23 20.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.42 -1.425 . . . . 1.0 111.242 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.03 119.1 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 126.69 1.996 . . . . 1.0 111.033 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.429 HG21 ' HB2' ' A' ' 18' ' ' LYS . 3.7 mp -116.04 132.62 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 126.265 1.826 . . . . 1.0 113.171 -170.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -109.95 97.7 7.16 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.613 1.965 . . . . 1.0 114.103 -172.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.03 87.95 1.14 Allowed Glycine 0 CA--C 1.548 2.141 0 N-CA-C 119.783 2.673 . . . . 1.0 119.783 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -68.41 -45.97 71.21 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 125.641 1.577 . . . . 1.0 112.091 168.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -61.61 98.02 0.08 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 128.784 2.834 . . . . 1.0 115.568 -169.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.02 -27.21 2.31 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 126.739 2.114 . . . . 1.0 117.521 170.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -149.65 135.57 10.18 Favored Pre-proline 0 CA--C 1.56 1.354 0 CA-C-N 119.752 1.776 . . . . 1.0 115.263 -170.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.2 -32.44 42.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 123.944 3.096 . . . . 1.0 115.703 -170.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -41.9 73.86 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.292 1.437 . . . . 1.0 111.839 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t -60.54 -42.97 97.61 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.527 1.531 . . . . 1.0 112.78 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.3 -54.19 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 124.15 0.98 . . . . 1.0 110.718 169.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 0.254 36.6 mtm-85 -59.23 -39.15 81.84 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.695 1.198 . . . . 1.0 113.177 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.74 70.48 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.339 1.455 . . . . 1.0 113.582 171.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HB2' HG21 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -65.4 -54.71 24.77 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.129 1.372 . . . . 1.0 113.039 170.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.14 -39.42 56.26 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.736 2.014 . . . . 1.0 113.404 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.38 -43.26 74.98 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.61 1.964 . . . . 1.0 114.112 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.51 99.74 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.065 1.346 . . . . 1.0 113.74 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.21 -41.87 99.21 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 126.114 1.765 . . . . 1.0 113.683 171.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -53.51 -50.47 65.35 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 129.452 3.101 . . . . 1.0 111.481 169.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.87 -44.18 93.85 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.683 1.993 . . . . 1.0 114.386 170.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t -66.04 -32.3 73.69 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 115.294 1.59 . . . . 1.0 115.294 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -68.4 -45.33 72.93 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 119.031 0.832 . . . . 1.0 110.869 168.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.73 -27.96 69.26 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 128.371 2.668 . . . . 1.0 114.065 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -138.98 148.32 43.34 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 126.796 2.039 . . . . 1.0 115.416 -170.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.78 -36.61 36.83 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.395 1.257 . . . . 1.0 114.395 175.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -58.06 -30.37 66.13 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 128.047 2.539 . . . . 1.0 114.901 170.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -95.28 97.35 9.8 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 122.792 1.282 . . . . 1.0 112.831 -168.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -96.44 124.3 40.39 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 130.162 3.385 . . . . 1.0 108.65 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.34 136.95 54.53 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.419 -1.426 . . . . 1.0 113.315 -172.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -129.64 131.17 46.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.566 1.946 . . . . 1.0 110.355 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -115.98 123.57 48.35 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.288 1.035 . . . . 1.0 112.279 174.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.59 116.71 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 128.835 2.854 . . . . 1.0 110.161 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.59 151.39 39.4 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.325 -1.484 . . . . 1.0 111.563 169.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.294 2.4 pp -118.65 -53.77 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 114.272 -1.331 . . . . 1.0 111.163 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -56.84 -40.86 76.84 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.954 1.252 . . . . 1.0 113.316 172.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.33 -31.45 33.46 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 115.685 1.735 . . . . 1.0 115.685 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.84 -14.82 43.84 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.022 1.729 . . . . 1.0 114.848 170.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.89 5.37 29.18 Favored Glycine 0 N--CA 1.489 2.229 0 C-N-CA 128.476 2.941 . . . . 1.0 117.931 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.7 mt -94.67 162.08 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 130.744 3.618 . . . . 1.0 110.985 -175.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.8 t -148.81 169.21 20.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.195 1.398 . . . . 1.0 114.583 -171.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -43.24 -47.82 6.53 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 127.107 2.163 . . . . 1.0 111.811 169.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -60.63 -26.39 66.99 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 127.395 2.278 . . . . 1.0 113.33 -177.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -83.13 -51.75 7.23 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.016 2.127 . . . . 1.0 111.042 169.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 mt -54.09 -44.21 71.0 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.785 2.034 . . . . 1.0 113.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -56.26 -31.98 64.09 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.894 1.677 . . . . 1.0 113.982 171.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.86 -45.54 16.68 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.23 1.812 . . . . 1.0 112.259 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.63 -30.05 71.21 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.142 1.377 . . . . 1.0 113.83 170.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.33 -21.41 27.28 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.744 2.018 . . . . 1.0 116.006 172.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.26 -23.52 0.09 OUTLIER Glycine 0 CA--C 1.551 2.343 0 C-N-CA 126.982 2.23 . . . . 1.0 115.967 -169.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -63.61 132.55 95.22 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 128.779 2.832 . . . . 1.0 111.44 173.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.68 66.46 6.6 Favored 'Trans proline' 0 CA--C 1.553 1.439 0 C-N-CA 123.211 2.607 . . . . 1.0 114.117 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 m -67.42 152.46 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 126.555 1.942 . . . . 1.0 112.502 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.489 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 26.7 tp10 -118.41 -33.33 4.37 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.435 1.894 . . . . 1.0 114.53 173.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.8 p -138.45 -178.23 5.2 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 127.315 2.246 . . . . 1.0 114.55 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.437 HG21 ' HB2' ' B' ' 148' ' ' CYS . 0.0 OUTLIER -81.27 158.53 69.28 Favored Pre-proline 0 N--CA 1.49 1.565 0 C-N-CA 127.094 2.158 . . . . 1.0 112.581 170.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.45 164.55 86.88 Favored 'Cis proline' 0 C--N 1.355 0.91 0 N-CA-C 115.296 1.229 . . . . 1.0 115.296 7.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -140.34 87.39 2.13 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.319 1.847 . . . . 1.0 110.906 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.3 mt -111.16 151.65 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 127.215 2.206 . . . . 1.0 113.114 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -129.32 94.7 3.85 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.444 2.298 . . . . 1.0 109.715 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.3 t -77.96 131.74 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 124.75 1.22 . . . . 1.0 109.431 172.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 4.5 m-20 43.62 29.75 0.3 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 129.479 3.112 . . . . 1.0 114.998 -169.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.261 45.2 mt-30 70.66 32.67 2.5 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 128.974 2.91 . . . . 1.0 114.851 -174.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.38 136.05 50.38 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 129.198 2.999 . . . . 1.0 109.743 171.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -60.03 112.69 1.98 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.096 -1.628 . . . . 1.0 114.085 -176.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.1 mm -125.73 104.85 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 128.282 2.633 . . . . 1.0 105.961 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -21.64 -62.51 0.02 OUTLIER Glycine 0 N--CA 1.48 1.594 0 C-N-CA 127.627 2.536 . . . . 1.0 116.601 -170.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.79 -149.75 20.31 Favored Glycine 0 C--O 1.221 -0.692 0 C-N-CA 127.794 2.616 . . . . 1.0 110.989 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -31.25 -55.42 0.24 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 126.47 1.908 . . . . 1.0 113.403 -169.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.2 t -46.01 -61.95 1.53 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 128.129 2.572 . . . . 1.0 116.382 170.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.77 -49.55 67.93 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 128.807 2.843 . . . . 1.0 112.525 173.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -49.06 63.44 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.985 3.314 . . . . 1.0 114.0 177.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.47 -53.06 62.37 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.826 1.651 . . . . 1.0 112.323 171.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.66 -43.72 72.63 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.731 1.212 . . . . 1.0 113.102 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -58.32 -51.96 67.62 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.408 1.883 . . . . 1.0 113.848 171.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.9 t -53.16 -52.39 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-N 119.535 1.061 . . . . 1.0 111.61 172.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -58.89 -51.7 68.89 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.496 2.319 . . . . 1.0 112.968 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -59.51 -12.2 5.95 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 127.326 2.25 . . . . 1.0 115.6 171.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -102.74 -58.74 1.82 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 127.313 2.245 . . . . 1.0 114.922 169.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.93 -27.42 43.7 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.278 2.231 . . . . 1.0 116.214 -175.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -100.92 4.56 42.72 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.009 1.724 . . . . 1.0 114.961 172.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 130.464 3.506 . . . . 1.0 117.151 -170.723 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 120.615 3.561 . . . . 1.0 120.615 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.2 t -135.93 175.38 9.65 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 116.946 2.202 . . . . 1.0 116.946 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 163.85 -9.84 0.08 OUTLIER Glycine 0 N--CA 1.482 1.758 0 N-CA-C 118.751 2.26 . . . . 1.0 118.751 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 57.42 17.96 4.14 Favored 'General case' 0 CA--C 1.565 1.544 0 N-CA-C 118.524 2.787 . . . . 1.0 118.524 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . 0.437 ' HB2' HG21 ' A' ' 59' ' ' VAL . 1.7 m -70.41 114.97 9.05 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 126.788 2.035 . . . . 1.0 111.425 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -179.49 175.82 0.87 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 126.911 2.085 . . . . 1.0 114.727 -174.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 2.3 tp . . . . . 0 N--CA 1.487 1.42 0 C-N-CA 129.376 3.07 . . . . 1.0 113.224 173.432 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.48 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 121.054 0.454 . . . . 1.0 111.063 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tm0? -119.25 121.43 39.63 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 129.061 2.945 . . . . 1.0 112.036 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 m -121.78 121.02 36.3 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 126.103 1.761 . . . . 1.0 111.638 -172.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.6 t -118.04 131.26 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 126.534 1.934 . . . . 1.0 111.781 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.41 122.03 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 125.833 1.653 . . . . 1.0 112.54 -171.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -105.86 105.88 16.13 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.618 1.967 . . . . 1.0 113.432 -172.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.81 70.08 1.35 Allowed Glycine 0 N--CA 1.483 1.808 0 C-N-CA 126.319 1.914 . . . . 1.0 116.623 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -79.89 -53.04 7.14 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 127.667 2.387 . . . . 1.0 114.126 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -63.71 24.37 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 130.592 3.557 . . . . 1.0 118.054 -171.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.71 -32.8 0.5 Allowed Glycine 0 CA--C 1.543 1.841 0 C-N-CA 126.504 2.002 . . . . 1.0 117.156 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.3 p -140.51 142.35 28.8 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 127.023 2.129 . . . . 1.0 115.621 -172.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -61.3 -41.89 38.78 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 124.41 3.407 . . . . 1.0 115.134 -172.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -68.39 -38.07 80.96 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 120.878 1.672 . . . . 1.0 113.25 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.499 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.7 t -58.06 -40.69 81.64 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 119.286 0.948 . . . . 1.0 111.559 171.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.06 -52.11 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-O 116.755 -1.593 . . . . 1.0 110.086 171.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.58 -41.9 70.42 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.26 1.824 . . . . 1.0 112.295 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.02 83.7 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.109 2.564 . . . . 1.0 112.818 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -63.78 -52.11 61.79 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.25 1.42 . . . . 1.0 112.018 171.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -41.66 29.81 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 128.145 2.578 . . . . 1.0 113.172 172.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 72' ' ' TYR . 3.4 mp -59.62 -47.31 86.08 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.285 2.234 . . . . 1.0 113.999 171.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.96 96.2 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.906 0.883 . . . . 1.0 111.723 171.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.94 -43.52 91.21 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 126.967 2.107 . . . . 1.0 113.338 171.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -54.38 -55.11 31.92 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 131.59 3.956 . . . . 1.0 111.537 172.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.39 -48.46 81.65 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.677 1.991 . . . . 1.0 111.796 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t -53.71 -45.91 70.58 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 127.328 2.251 . . . . 1.0 114.8 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -43.26 86.22 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.463 1.905 . . . . 1.0 113.229 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.39 -51.25 64.19 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 126.803 2.041 . . . . 1.0 112.356 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.49 177.74 6.48 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 129.11 2.964 . . . . 1.0 114.273 -174.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.6 -22.14 8.23 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 127.949 2.5 . . . . 1.0 114.656 172.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -95.37 -19.81 19.63 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 118.049 2.611 . . . . 1.0 118.049 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -96.9 129.05 44.4 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 128.186 2.594 . . . . 1.0 110.894 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -116.36 130.94 57.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 128.383 2.673 . . . . 1.0 110.544 -173.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.1 136.13 54.67 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 127.515 2.326 . . . . 1.0 113.682 -176.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -130.03 133.5 46.78 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 127.584 2.353 . . . . 1.0 111.157 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -111.63 123.89 51.16 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.675 1.59 . . . . 1.0 112.769 173.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 t -122.73 115.0 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 126.926 2.09 . . . . 1.0 112.603 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.686 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.263 0.0 OUTLIER -71.86 102.47 2.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.817 1.414 . . . . 1.0 114.817 171.358 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.66 -39.48 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.236 -1.54 . . . . 1.0 111.735 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -65.19 -24.7 67.44 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.307 1.443 . . . . 1.0 113.478 172.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -101.9 -43.88 5.67 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.852 1.261 . . . . 1.0 114.074 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -63.56 -35.4 80.37 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.282 1.433 . . . . 1.0 112.928 172.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.52 35.64 0.98 Allowed Glycine 0 N--CA 1.491 2.306 0 C-N-CA 126.861 2.172 . . . . 1.0 117.233 172.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -124.75 160.3 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 130.389 3.475 . . . . 1.0 111.881 -171.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -140.01 168.14 20.49 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.874 2.07 . . . . 1.0 114.129 -171.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -32.84 62.77 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.762 1.023 . . . . 1.0 113.762 173.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -62.28 -36.83 83.29 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 127.348 2.259 . . . . 1.0 112.867 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.12 -51.1 16.67 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.939 2.096 . . . . 1.0 110.765 172.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.1 mt -59.07 -49.14 79.02 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.714 1.606 . . . . 1.0 113.439 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.629 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.6 pt20 -56.49 -38.17 71.39 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.573 1.549 . . . . 1.0 113.871 172.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -65.36 -62.07 1.75 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.57 2.348 . . . . 1.0 111.358 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -57.43 -38.62 74.69 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.646 1.579 . . . . 1.0 113.26 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.415 ' HB1' ' CG ' ' A' ' 68' ' ' HIS . . . -62.17 -22.76 66.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.069 1.748 . . . . 1.0 114.973 171.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.95 30.51 73.47 Favored Glycine 0 CA--C 1.546 2.007 0 CA-C-N 119.254 0.934 . . . . 1.0 114.262 -172.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -148.26 121.45 4.67 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 128.797 2.839 . . . . 1.0 110.221 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.42 68.97 5.16 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 124.226 3.284 . . . . 1.0 113.246 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.3 m -62.1 161.86 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 125.767 1.627 . . . . 1.0 113.288 175.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -123.44 -58.29 1.62 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.853 2.061 . . . . 1.0 112.735 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.2 p -123.59 174.31 7.51 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 127.799 2.44 . . . . 1.0 114.215 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.41 HG21 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -83.75 157.46 63.81 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 127.295 2.238 . . . . 1.0 113.907 -172.428 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.28 168.91 73.13 Favored 'Cis proline' 0 CA--C 1.554 1.516 0 N-CA-C 116.673 1.759 . . . . 1.0 116.673 8.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.568 ' NE2' HG21 ' A' ' 56' ' ' VAL . 6.1 mm100 -145.1 82.45 1.66 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.725 2.81 . . . . 1.0 111.764 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -110.48 152.06 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 128.005 2.522 . . . . 1.0 115.161 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -126.08 108.02 10.96 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.937 1.695 . . . . 1.0 109.57 175.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.9 t -97.62 130.45 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 126.053 1.741 . . . . 1.0 109.57 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.57 62.76 1.12 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.831 2.852 . . . . 1.0 111.562 -172.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 55.1 10.09 0.38 Allowed 'General case' 0 CA--C 1.557 1.243 1 C-N-CA 133.26 4.624 . . . . 1.0 118.178 -174.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.64 142.34 51.56 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.244 1.818 . . . . 1.0 113.253 -173.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.415 ' CG ' ' HB1' ' A' ' 52' ' ' ALA . 17.7 t-80 -60.58 134.35 56.99 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 115.991 1.848 . . . . 1.0 115.991 -174.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.6 mm -135.22 158.14 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 C-N-CA 131.104 3.762 . . . . 1.0 107.202 171.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.22 -70.86 0.85 Allowed Glycine 0 CA--C 1.537 1.458 0 O-C-N 119.618 -1.926 . . . . 1.0 111.106 172.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.5 -138.17 9.75 Favored Glycine 0 C--O 1.219 -0.831 0 C-N-CA 126.308 1.909 . . . . 1.0 110.552 -173.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.43 ' CD2' HD22 ' A' ' 20' ' ' LEU . 29.8 t80 -32.58 -53.6 0.33 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.077 1.939 . . . . 1.0 115.047 -172.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 t -62.27 -61.61 2.34 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.04 1.336 . . . . 1.0 114.363 173.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.78 -47.01 77.81 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.586 2.354 . . . . 1.0 113.429 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.62 -49.26 78.24 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 130.804 3.642 . . . . 1.0 113.703 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.96 97.64 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.1 1.318 . . . . 1.0 111.417 171.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.6 93.76 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.736 1.214 . . . . 1.0 113.1 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -62.6 -53.15 58.97 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.874 2.47 . . . . 1.0 112.927 171.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.0 t -53.1 -52.68 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 126.105 1.762 . . . . 1.0 111.421 172.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . 0.285 11.6 ptpt -63.79 -34.01 76.96 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.599 1.333 . . . . 1.0 114.599 176.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -60.79 -20.03 60.67 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 126.833 2.053 . . . . 1.0 112.587 171.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -98.82 -58.06 2.03 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 127.659 2.384 . . . . 1.0 113.24 172.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.11 -29.69 24.64 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 117.538 2.422 . . . . 1.0 117.538 -171.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -99.21 6.19 46.45 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 126.48 1.912 . . . . 1.0 113.346 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 C-N-CA 130.606 3.563 . . . . 1.0 114.687 -175.235 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 115.078 1.51 . . . . 1.0 115.078 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.2 p -123.06 153.16 40.24 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 116.156 1.909 . . . . 1.0 116.156 -174.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 168.45 -17.05 0.07 OUTLIER Glycine 0 N--CA 1.477 1.39 0 N-CA-C 117.953 1.941 . . . . 1.0 117.953 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.66 33.67 17.09 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 119.2 1.5 . . . . 1.0 114.485 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.54 121.01 18.96 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.574 1.55 . . . . 1.0 107.389 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 73.6 tttt 177.14 156.0 0.29 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 129.83 3.252 . . . . 1.0 111.38 -170.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.488 1.461 0 C-N-CA 130.391 3.476 . . . . 1.0 115.353 172.09 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 111.516 0.191 . . . . 1.0 111.516 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.53 120.61 38.03 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.195 1.398 . . . . 1.0 111.249 171.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.6 m -123.72 123.85 41.43 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 126.398 1.879 . . . . 1.0 112.121 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.1 t -115.61 130.83 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 127.576 2.351 . . . . 1.0 110.793 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.7 mt -123.06 125.67 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 127.151 2.18 . . . . 1.0 112.452 -168.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -111.81 100.23 8.76 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.617 1.567 . . . . 1.0 114.384 -170.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.87 74.08 1.11 Allowed Glycine 0 CA--C 1.546 1.973 0 C-N-CA 127.261 2.362 . . . . 1.0 118.868 170.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -67.74 -30.73 70.27 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.917 2.087 . . . . 1.0 114.635 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -61.39 128.06 34.49 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.496 2.036 . . . . 1.0 116.496 -169.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.03 -3.53 13.23 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 119.702 2.641 . . . . 1.0 119.702 169.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.17 122.66 26.83 Favored Pre-proline 0 CA--C 1.558 1.255 0 CA-C-N 121.47 2.635 . . . . 1.0 112.428 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -61.64 -30.49 85.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.155 3.237 . . . . 1.0 113.837 -172.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -52.25 -51.48 58.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 129.791 3.236 . . . . 1.0 112.958 171.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 t -70.68 -36.69 73.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.298 1.839 . . . . 1.0 113.981 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.16 -54.9 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 116.896 -1.526 . . . . 1.0 111.622 171.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -56.82 -43.2 80.8 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 120.371 1.441 . . . . 1.0 111.873 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.37 -50.73 70.72 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 114.733 1.382 . . . . 1.0 114.733 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -60.37 -50.34 73.99 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.195 1.398 . . . . 1.0 113.059 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.2 -37.97 81.85 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.984 2.113 . . . . 1.0 113.991 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.71 -43.34 97.96 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.862 1.665 . . . . 1.0 113.267 169.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.39 96.18 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.657 1.183 . . . . 1.0 112.866 171.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.64 -45.13 81.75 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.632 1.973 . . . . 1.0 114.102 171.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -51.79 -56.45 13.79 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 127.764 2.425 . . . . 1.0 111.063 170.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.83 -45.59 91.92 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.122 1.769 . . . . 1.0 113.578 175.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 t -61.66 -35.12 77.06 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 114.234 1.198 . . . . 1.0 114.234 174.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.12 -50.85 52.1 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.052 1.341 . . . . 1.0 112.449 169.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -72.04 -18.9 61.91 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.725 2.01 . . . . 1.0 114.891 -175.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -125.29 170.86 10.89 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.506 1.922 . . . . 1.0 115.385 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -88.71 -51.49 5.64 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 131.309 3.844 . . . . 1.0 114.223 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -24.26 58.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 129.78 3.232 . . . . 1.0 117.662 -169.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -95.94 102.58 14.39 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.837 1.655 . . . . 1.0 113.419 -167.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.57 133.75 40.66 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 127.889 2.475 . . . . 1.0 114.707 171.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -109.97 138.86 45.75 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 128.615 2.766 . . . . 1.0 114.175 -175.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -127.34 132.69 50.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.974 2.109 . . . . 1.0 109.028 172.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -121.56 123.34 41.74 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.272 1.429 . . . . 1.0 112.279 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 t -127.13 108.89 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 127.29 2.236 . . . . 1.0 110.815 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.542 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.251 0.0 OUTLIER -70.09 84.1 0.52 Allowed 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.339 -1.476 . . . . 1.0 114.638 172.052 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -54.31 -37.27 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 120.021 -1.674 . . . . 1.0 111.549 170.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -66.14 -12.18 54.08 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 128.32 2.648 . . . . 1.0 115.241 170.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.542 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -120.38 -45.09 2.45 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 120.379 1.445 . . . . 1.0 114.016 175.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -61.84 -18.77 61.25 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 129.516 3.127 . . . . 1.0 115.209 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.26 50.16 2.86 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 126.928 2.204 . . . . 1.0 115.554 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.7 mt -134.02 148.69 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 126.732 2.013 . . . . 1.0 109.758 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.9 t -132.73 165.84 23.6 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.877 1.806 . . . . 1.0 115.877 -169.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -48.0 -40.82 23.78 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 127.984 2.514 . . . . 1.0 113.31 171.012 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -65.39 -20.39 66.36 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 128.799 2.839 . . . . 1.0 114.092 176.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.38 -47.63 6.51 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.014 2.126 . . . . 1.0 111.3 170.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.3 mt -53.71 -51.35 63.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.24 2.216 . . . . 1.0 114.178 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.4 pt20 -52.27 -32.7 38.47 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 121.316 1.871 . . . . 1.0 114.555 172.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -75.35 -55.8 5.35 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.035 1.334 . . . . 1.0 111.102 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -37.49 63.87 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 126.846 2.058 . . . . 1.0 114.753 172.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.21 -9.72 58.96 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 129.156 2.982 . . . . 1.0 115.632 173.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.89 -53.66 2.54 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 125.574 1.559 . . . . 1.0 113.056 -170.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -69.27 130.96 90.61 Favored Pre-proline 0 N--CA 1.48 1.032 0 C-N-CA 129.514 3.125 . . . . 1.0 112.884 -173.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -65.97 84.54 0.25 Allowed 'Trans proline' 0 CA--C 1.552 1.384 0 C-N-CA 124.22 3.28 . . . . 1.0 111.275 170.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.494 HG22 ' HB3' ' A' ' 49' ' ' GLN . 18.5 m -78.26 149.82 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 125.902 1.681 . . . . 1.0 110.729 169.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.554 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 36.6 tp10 -120.23 -18.44 8.01 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.376 1.47 . . . . 1.0 114.738 174.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -146.37 178.68 8.07 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 128.499 2.72 . . . . 1.0 114.833 -168.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.78 162.46 50.02 Favored Pre-proline 0 N--CA 1.489 1.504 0 C-N-CA 127.006 2.122 . . . . 1.0 111.987 168.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.65 166.75 58.84 Favored 'Cis proline' 0 CA--C 1.554 1.483 0 N-CA-C 115.112 1.158 . . . . 1.0 115.112 -3.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -135.9 80.22 1.82 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.067 2.147 . . . . 1.0 111.51 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 46.0 mt -118.92 153.58 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 128.43 2.692 . . . . 1.0 112.916 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -126.62 111.62 14.53 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.264 2.226 . . . . 1.0 108.732 170.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.07 144.18 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.797 1.239 . . . . 1.0 109.325 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 4.4 p-10 47.97 22.73 0.41 Allowed 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 126.608 1.963 . . . . 1.0 116.247 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 75.71 4.0 3.9 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 131.237 3.815 . . . . 1.0 116.786 -172.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -95.98 159.43 14.97 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.294 2.238 . . . . 1.0 111.038 169.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -75.76 108.27 8.51 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.185 -1.572 . . . . 1.0 112.363 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.7 mm -119.98 102.14 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 128.105 2.562 . . . . 1.0 106.132 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -24.61 -58.91 0.05 OUTLIER Glycine 0 N--CA 1.477 1.41 0 C-N-CA 127.847 2.642 . . . . 1.0 116.438 -170.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.88 -138.43 10.08 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 128.026 2.727 . . . . 1.0 111.284 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -30.82 -52.44 0.17 Allowed 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 127.712 2.405 . . . . 1.0 115.505 -172.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 74' ' ' ASP . 6.3 t -66.28 -63.51 1.06 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 125.596 1.558 . . . . 1.0 115.062 173.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.41 ' H ' HG23 ' A' ' 73' ' ' THR . 0.6 OUTLIER -51.63 -52.65 46.12 Favored 'General case' 0 CA--C 1.563 1.465 0 C-N-CA 129.996 3.319 . . . . 1.0 111.528 177.683 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -60.98 -37.35 82.14 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 130.812 3.645 . . . . 1.0 114.699 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.58 -37.9 83.26 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 121.01 -1.056 . . . . 1.0 113.79 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.48 93.02 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.951 0.9 . . . . 1.0 112.505 170.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -55.63 -51.34 67.52 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.27 1.828 . . . . 1.0 113.596 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.7 t -55.57 -49.11 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 125.227 1.411 . . . . 1.0 113.025 172.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -54.89 -48.72 72.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 119.867 1.212 . . . . 1.0 112.2 170.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.54 -11.1 1.78 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 127.815 2.446 . . . . 1.0 115.966 170.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -101.69 -48.61 4.25 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 126.969 2.108 . . . . 1.0 113.269 169.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.4 mt -94.09 -57.03 2.65 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 128.162 2.585 . . . . 1.0 115.218 -170.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -72.95 -0.18 12.98 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.836 2.055 . . . . 1.0 114.804 171.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.441 0 C-N-CA 129.696 3.198 . . . . 1.0 114.849 174.33 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 116.65 2.092 . . . . 1.0 116.65 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.0 t -122.89 169.93 10.63 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.934 1.694 . . . . 1.0 114.417 -171.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 146.1 3.67 0.54 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 118.328 2.091 . . . . 1.0 118.328 172.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 47.75 16.19 0.07 Allowed 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 131.493 3.917 . . . . 1.0 118.194 170.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.33 141.5 38.4 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.443 2.297 . . . . 1.0 114.607 -170.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.79 -175.41 0.16 Allowed 'General case' 0 N--CA 1.495 1.794 1 C-N-CA 131.881 4.072 . . . . 1.0 112.482 176.483 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 N--CA 1.502 2.159 0 C-N-CA 126.752 2.021 . . . . 1.0 115.665 171.886 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttm . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 112.397 0.518 . . . . 1.0 112.397 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.12 120.58 38.17 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.468 2.307 . . . . 1.0 111.683 175.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.1 m -121.7 112.77 18.82 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.962 1.705 . . . . 1.0 112.522 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.68 117.44 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 126.07 1.748 . . . . 1.0 110.537 -175.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 mt -101.83 124.03 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 127.731 2.412 . . . . 1.0 112.877 -171.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.37 106.77 17.42 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 125.078 1.351 . . . . 1.0 113.018 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.98 81.22 0.25 Allowed Glycine 0 CA--C 1.539 1.538 0 C-N-CA 129.642 3.496 . . . . 1.0 118.821 172.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -69.39 -47.13 65.16 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 119.184 1.492 . . . . 1.0 114.419 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -65.34 123.68 20.22 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.899 1.679 . . . . 1.0 114.496 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.23 -10.93 26.64 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 127.777 2.608 . . . . 1.0 117.663 172.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.501 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 12.8 p -145.96 125.12 6.66 Favored Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 116.56 2.059 . . . . 1.0 116.56 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -48.65 -45.7 26.76 Favored 'Trans proline' 0 C--N 1.362 1.256 1 C-N-CA 125.768 4.312 . . . . 1.0 114.807 176.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -59.61 -38.42 81.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.35 1.06 . . . . 1.0 112.735 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.501 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 2.3 t -68.48 -43.31 77.2 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.833 1.253 . . . . 1.0 112.521 171.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.3 t -56.32 -52.36 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-O 117.5 -1.238 . . . . 1.0 111.418 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -64.64 -41.6 96.02 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.946 0.898 . . . . 1.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.36 -44.19 84.15 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 120.002 1.274 . . . . 1.0 113.942 172.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -61.82 2.11 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.344 1.858 . . . . 1.0 111.661 171.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -44.9 -44.46 9.67 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.527 2.331 . . . . 1.0 112.992 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.13 -49.0 79.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.863 2.065 . . . . 1.0 113.066 171.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.1 71.34 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.4 1.08 . . . . 1.0 111.954 171.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.59 -44.4 97.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.453 1.101 . . . . 1.0 112.338 171.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -45.48 71.55 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 129.031 2.932 . . . . 1.0 112.472 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.66 -50.01 66.55 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.338 2.655 . . . . 1.0 112.891 173.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 t -53.81 -42.12 68.06 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 126.881 2.072 . . . . 1.0 113.281 171.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -66.82 -48.24 69.53 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.837 1.255 . . . . 1.0 112.242 171.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -63.44 -45.55 90.38 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.912 2.085 . . . . 1.0 112.866 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -111.27 172.97 6.57 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 127.065 2.146 . . . . 1.0 114.788 -171.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -96.66 -41.16 8.65 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.362 1.865 . . . . 1.0 114.793 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -73.95 -13.24 60.85 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 128.288 2.635 . . . . 1.0 116.415 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -97.6 110.52 23.07 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.436 2.294 . . . . 1.0 114.044 -170.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -112.81 118.29 34.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.833 2.853 . . . . 1.0 110.172 177.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.56 136.8 47.56 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.95 2.5 . . . . 1.0 115.439 -171.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -129.79 138.64 51.16 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.364 2.266 . . . . 1.0 110.089 -176.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -107.75 123.65 48.86 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.582 1.953 . . . . 1.0 111.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.0 t -126.03 132.42 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 C-N-CA 127.575 2.35 . . . . 1.0 111.761 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.622 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -87.86 108.63 19.26 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.599 1.96 . . . . 1.0 115.563 177.757 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.473 HG21 HD11 ' A' ' 48' ' ' LEU . 2.1 pp -71.58 -33.56 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.091 -1.631 . . . . 1.0 110.631 171.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -74.95 -2.86 28.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 131.384 3.874 . . . . 1.0 114.421 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -125.58 -50.62 1.62 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.467 1.507 . . . . 1.0 112.958 171.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -63.46 -11.23 21.92 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 125.543 1.537 . . . . 1.0 115.012 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.5 64.91 1.54 Allowed Glycine 0 N--CA 1.476 1.343 0 C-N-CA 127.896 2.665 . . . . 1.0 112.55 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 44' ' ' THR . 8.7 mt -144.08 161.53 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 126.48 1.912 . . . . 1.0 112.077 -171.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.41 ' N ' HG22 ' A' ' 43' ' ' ILE . 9.6 t -147.77 162.98 38.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 129.614 3.166 . . . . 1.0 112.426 -175.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -26.85 56.47 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 115.622 1.712 . . . . 1.0 115.622 173.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -66.09 -42.87 88.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.003 0.921 . . . . 1.0 112.109 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.15 -52.88 60.66 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.747 2.019 . . . . 1.0 111.829 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD11 HG21 ' A' ' 38' ' ' ILE . 11.7 mt -60.25 -29.52 68.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 117.029 -1.462 . . . . 1.0 113.864 -172.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.888 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.1 pt20 -68.47 -35.02 76.96 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 121.602 2.001 . . . . 1.0 111.29 171.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -75.9 -66.55 0.77 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.977 2.511 . . . . 1.0 113.024 -172.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -54.15 -22.73 11.93 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.466 1.284 . . . . 1.0 114.466 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.72 -39.49 21.87 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 128.597 2.759 . . . . 1.0 116.646 172.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.36 13.58 81.46 Favored Glycine 0 CA--C 1.55 2.263 0 C-N-CA 125.252 1.406 . . . . 1.0 114.247 -171.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -106.27 117.88 56.19 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 128.547 2.739 . . . . 1.0 108.416 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -71.68 81.04 1.36 Allowed 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 124.47 3.446 . . . . 1.0 113.942 -171.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.888 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.1 m -84.71 159.92 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 125.049 1.339 . . . . 1.0 114.258 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -115.13 -47.95 2.84 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.811 2.044 . . . . 1.0 112.188 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 p -150.28 -177.22 5.81 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 131.521 3.928 . . . . 1.0 112.679 -171.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' B' ' 148' ' ' CYS . 0.0 OUTLIER -82.55 155.53 68.68 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 120.141 -1.599 . . . . 1.0 111.148 -178.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -70.76 168.94 69.73 Favored 'Cis proline' 0 CA--C 1.546 1.116 0 N-CA-C 117.228 1.972 . . . . 1.0 117.228 8.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.562 HE22 HG11 ' A' ' 56' ' ' VAL . 82.0 mm-40 -143.64 81.34 1.69 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 129.413 3.085 . . . . 1.0 110.059 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.0 mt -107.74 152.52 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 C-N-CA 128.422 2.689 . . . . 1.0 114.892 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -125.63 90.82 3.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.843 2.057 . . . . 1.0 111.273 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.6 t -81.98 147.1 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 126.094 1.758 . . . . 1.0 108.723 172.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.31 1.2 p-10 48.55 23.8 0.67 Allowed 'General case' 0 CA--C 1.566 1.588 0 O-C-N 120.063 -1.648 . . . . 1.0 115.399 -172.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 62.62 27.72 16.3 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 128.08 2.552 . . . . 1.0 114.191 -172.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.697 HE22 HD11 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -132.6 135.6 46.0 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 131.373 3.869 . . . . 1.0 109.513 -178.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.6 108.56 4.42 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 119.476 -2.015 . . . . 1.0 114.802 -171.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.697 HD11 HE22 ' A' ' 67' ' ' GLN . 22.7 mm -107.64 125.84 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 129.669 3.188 . . . . 1.0 107.433 171.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -31.92 -64.53 0.23 Allowed Glycine 0 CA--C 1.544 1.859 0 C-N-CA 125.155 1.359 . . . . 1.0 115.052 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.414 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 129.03 -140.74 11.94 Favored Glycine 0 C--O 1.217 -0.928 0 C-N-CA 128.378 2.894 . . . . 1.0 109.465 -172.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -32.7 -45.04 0.11 Allowed 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 127.371 2.268 . . . . 1.0 115.775 -177.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -63.68 -62.42 1.67 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 126.925 2.09 . . . . 1.0 114.763 171.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.414 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -55.62 -55.11 35.87 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 129.117 2.967 . . . . 1.0 112.823 172.667 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -47.32 68.95 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 127.682 2.393 . . . . 1.0 114.749 172.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.12 77.55 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.972 1.26 . . . . 1.0 111.638 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.66 76.0 Favored 'General case' 0 CA--C 1.56 1.34 0 N-CA-C 113.987 1.106 . . . . 1.0 113.987 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -60.59 -53.65 54.97 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.695 1.998 . . . . 1.0 112.0 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.3 t -52.83 -44.31 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 126.243 1.817 . . . . 1.0 111.96 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.429 ' N ' ' HE2' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -57.76 -55.44 34.86 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.135 1.374 . . . . 1.0 110.861 172.453 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -52.9 -13.6 0.45 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.407 1.883 . . . . 1.0 115.666 171.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -99.88 -59.88 1.63 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 126.334 1.854 . . . . 1.0 112.621 171.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.8 mt -86.68 -41.84 13.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 128.142 2.577 . . . . 1.0 116.132 -172.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -93.22 3.45 55.65 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 128.943 2.897 . . . . 1.0 113.996 177.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 1 C-N-CA 132.566 4.346 . . . . 1.0 115.427 -174.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 N--CA 1.483 1.207 0 N-CA-C 109.311 -0.626 . . . . 1.0 109.311 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.15 149.71 12.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.754 1.622 . . . . 1.0 114.358 174.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 150.46 -16.01 0.98 Allowed Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.346 1.927 . . . . 1.0 117.901 171.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.1 27.99 6.4 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 120.261 2.031 . . . . 1.0 114.04 173.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . 0.445 ' HB2' HG21 ' A' ' 59' ' ' VAL . 1.6 t -72.85 130.64 40.9 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 129.175 2.99 . . . . 1.0 110.85 -171.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt 177.7 124.84 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 126.709 2.004 . . . . 1.0 115.421 -170.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.419 10.6 tp . . . . . 0 N--CA 1.492 1.625 0 C-N-CA 130.933 3.693 . . . . 1.0 117.125 171.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 tpp . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 111.538 0.199 . . . . 1.0 111.538 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -118.54 122.68 43.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.591 1.956 . . . . 1.0 113.85 172.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.5 m -113.8 116.12 28.86 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.985 0.914 . . . . 1.0 111.599 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.6 t -110.68 124.07 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 127.158 2.183 . . . . 1.0 109.076 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 mt -109.96 126.91 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 128.66 2.784 . . . . 1.0 114.502 -170.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -106.09 115.01 29.5 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.286 1.835 . . . . 1.0 113.084 176.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.65 72.46 0.96 Allowed Glycine 0 CA--C 1.536 1.397 0 N-CA-C 120.465 2.946 . . . . 1.0 120.465 171.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -76.64 32.14 0.13 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 127.977 2.511 . . . . 1.0 111.464 171.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.7 p -114.46 121.92 45.01 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 131.681 3.992 . . . . 1.0 117.184 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.43 -62.56 2.67 Favored Glycine 0 N--CA 1.48 1.601 0 C-N-CA 126.642 2.067 . . . . 1.0 115.996 171.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.583 ' SG ' HG21 ' A' ' 59' ' ' VAL . 11.1 p -69.45 117.38 52.13 Favored Pre-proline 0 CA--C 1.551 1.018 0 N-CA-C 115.532 1.678 . . . . 1.0 115.532 172.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -67.97 -30.79 32.1 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.647 2.898 . . . . 1.0 114.566 -172.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -66.69 -37.89 85.67 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 119.836 1.198 . . . . 1.0 111.14 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.521 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -56.62 -46.38 80.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.413 1.485 . . . . 1.0 112.668 171.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.0 -50.87 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 C-N-CA 124.153 0.981 . . . . 1.0 110.6 171.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -56.68 -41.54 77.48 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.26 0.936 . . . . 1.0 113.172 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.5 -47.39 76.27 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.989 1.715 . . . . 1.0 112.459 172.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -51.67 69.03 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.699 1.599 . . . . 1.0 111.019 171.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.47 -44.52 62.47 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.107 1.763 . . . . 1.0 114.221 173.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.36 -48.52 80.34 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.381 2.272 . . . . 1.0 113.375 172.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.5 95.57 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.885 0.874 . . . . 1.0 112.062 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.05 -43.77 87.04 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.1 1.36 . . . . 1.0 113.028 171.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -53.32 -46.66 69.53 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 129.53 3.132 . . . . 1.0 111.706 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.99 -51.27 59.92 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.372 2.669 . . . . 1.0 113.611 171.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.37 -37.25 80.14 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.927 1.691 . . . . 1.0 113.629 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -66.71 -44.49 81.49 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.537 2.735 . . . . 1.0 113.033 171.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.78 -46.49 75.13 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.361 2.264 . . . . 1.0 111.91 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -115.78 -178.42 3.39 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.696 2.109 . . . . 1.0 116.696 -171.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -106.52 -36.05 6.89 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 127.584 2.354 . . . . 1.0 114.97 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -32.45 73.83 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.286 1.434 . . . . 1.0 113.395 -171.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -97.99 119.72 37.12 Favored 'General case' 0 C--N 1.316 -0.863 1 C-N-CA 132.422 4.289 . . . . 1.0 110.967 -171.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -126.63 126.46 43.62 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.95 2.9 . . . . 1.0 110.244 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.0 136.94 47.69 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.249 1.82 . . . . 1.0 114.957 -172.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -129.75 135.01 47.95 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.532 1.933 . . . . 1.0 109.624 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -118.81 123.83 45.73 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.517 1.527 . . . . 1.0 113.693 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.7 t -122.74 115.51 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 128.42 2.688 . . . . 1.0 112.262 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.577 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.316 0.0 OUTLIER -73.1 101.44 3.29 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 116.665 2.098 . . . . 1.0 116.665 173.931 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -70.55 -33.43 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 O-C-N 120.03 -1.669 . . . . 1.0 112.099 172.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -80.68 2.27 26.59 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 126.684 1.994 . . . . 1.0 114.22 172.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -122.71 -46.8 2.11 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.38 -0.825 . . . . 1.0 112.599 171.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.74 -18.25 63.85 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 126.734 2.013 . . . . 1.0 115.183 171.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.53 56.38 2.14 Favored Glycine 0 N--CA 1.478 1.442 0 C-N-CA 127.023 2.249 . . . . 1.0 114.7 175.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.2 mt -132.21 157.62 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 127.654 2.382 . . . . 1.0 111.544 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 t -145.45 164.48 31.43 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.436 2.294 . . . . 1.0 113.959 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -31.08 25.62 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.65 1.58 . . . . 1.0 113.756 171.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -63.38 -39.66 95.13 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 125.544 1.538 . . . . 1.0 111.348 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -70.36 -56.99 5.33 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.67 1.988 . . . . 1.0 111.131 171.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 mt -57.37 -46.36 83.47 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.943 2.497 . . . . 1.0 112.745 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.589 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.8 pt20 -55.43 -35.42 65.41 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.074 1.35 . . . . 1.0 114.077 176.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -81.0 -31.18 34.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.181 1.792 . . . . 1.0 113.222 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -79.47 -25.05 41.99 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 127.11 2.164 . . . . 1.0 114.128 171.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.6 -23.68 19.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 129.493 3.117 . . . . 1.0 116.45 174.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.73 -25.6 1.15 Allowed Glycine 0 CA--C 1.547 2.037 0 C-N-CA 125.633 1.587 . . . . 1.0 114.655 -171.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -66.89 125.97 91.67 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 130.393 3.477 . . . . 1.0 110.446 171.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -71.09 79.54 1.35 Allowed 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 123.741 2.961 . . . . 1.0 110.68 173.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.589 HG22 ' HB3' ' A' ' 49' ' ' GLN . 5.6 m -84.63 141.53 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.562 1.145 . . . . 1.0 113.001 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -124.21 -28.66 3.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.333 2.653 . . . . 1.0 112.655 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.7 p -126.94 -179.56 4.9 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 129.953 3.301 . . . . 1.0 112.886 -172.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.583 HG21 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -101.54 164.98 14.86 Favored Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 128.435 2.694 . . . . 1.0 113.031 172.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.64 168.23 71.3 Favored 'Cis proline' 0 CA--C 1.551 1.365 0 N-CA-C 116.103 1.54 . . . . 1.0 116.103 -1.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.431 HE22 HG11 ' A' ' 56' ' ' VAL . 73.4 mm-40 -135.44 75.01 1.54 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.964 2.906 . . . . 1.0 112.126 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.9 mt -105.65 151.36 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 127.185 2.194 . . . . 1.0 114.421 172.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -129.14 110.39 11.97 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 129.893 3.277 . . . . 1.0 109.759 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.401 HG23 ' HB ' ' A' ' 69' ' ' ILE . 39.8 t -98.29 133.35 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.886 1.674 . . . . 1.0 110.331 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 42.91 31.6 0.34 Allowed 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 130.009 3.324 . . . . 1.0 114.079 -172.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 94.37 3.8 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.742 1 C-N-CA 134.348 5.059 . . . . 1.0 116.935 -178.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.35 145.03 50.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 119.542 -1.974 . . . . 1.0 113.26 -175.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -60.58 114.23 2.87 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.784 1.401 . . . . 1.0 114.784 -172.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.401 ' HB ' HG23 ' A' ' 64' ' ' VAL . 45.7 mm -131.27 97.48 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 128.718 2.807 . . . . 1.0 106.314 171.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -9.29 -62.77 0.01 OUTLIER Glycine 0 CA--C 1.535 1.343 0 C-N-CA 129.831 3.586 . . . . 1.0 118.648 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.415 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 130.2 -144.06 15.33 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 126.25 1.881 . . . . 1.0 111.103 -171.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -33.1 -55.77 0.4 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.901 2.08 . . . . 1.0 112.783 -172.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 t -54.16 -61.75 2.1 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 127.014 2.125 . . . . 1.0 115.032 173.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.415 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -59.86 -58.78 7.09 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 129.238 3.015 . . . . 1.0 111.264 178.137 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -39.16 49.28 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.767 2.827 . . . . 1.0 115.222 172.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.49 66.73 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.76 1.163 . . . . 1.0 110.648 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.22 -36.93 66.51 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.923 1.289 . . . . 1.0 113.721 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -64.94 -53.48 45.68 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.944 2.498 . . . . 1.0 113.439 171.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.8 t -54.86 -48.8 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 125.023 1.329 . . . . 1.0 110.763 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -53.44 -52.14 60.38 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.445 1.898 . . . . 1.0 112.549 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -53.07 -20.11 3.37 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 127.115 2.166 . . . . 1.0 115.417 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -100.02 -59.16 1.76 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.24 2.216 . . . . 1.0 114.185 173.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.28 -63.87 1.31 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 128.198 2.599 . . . . 1.0 113.598 -175.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.12 6.72 1.17 Allowed 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 127.469 2.308 . . . . 1.0 114.868 172.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.204 0 C-N-CA 130.919 3.688 . . . . 1.0 117.262 -171.441 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 . . . . . 0 N--CA 1.48 1.067 0 CA-C-O 122.205 1.002 . . . . 1.0 112.193 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 36.9 t -141.5 149.38 40.83 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.691 1.596 . . . . 1.0 113.834 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 159.99 -9.32 0.15 Allowed Glycine 0 CA--C 1.543 1.802 0 C-N-CA 128.798 3.094 . . . . 1.0 116.566 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 55.44 24.39 6.68 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 128.785 2.834 . . . . 1.0 116.218 171.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.65 142.1 48.3 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 118.182 2.66 . . . . 1.0 118.182 -171.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt 176.92 159.36 0.36 Allowed 'General case' 0 N--CA 1.489 1.491 1 C-N-CA 132.834 4.454 . . . . 1.0 110.289 -172.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.253 5.7 tp . . . . . 0 N--CA 1.495 1.794 0 C-N-CA 126.669 1.988 . . . . 1.0 113.858 175.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 112.213 0.449 . . . . 1.0 112.213 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 121.7 41.33 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.471 1.109 . . . . 1.0 111.016 171.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.0 m -121.3 121.52 37.88 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.927 1.691 . . . . 1.0 113.034 -171.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 t -114.37 128.44 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 126.946 2.099 . . . . 1.0 111.403 -172.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 34' ' ' GLN . 2.4 mp -116.23 119.74 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 127.003 2.121 . . . . 1.0 112.192 -171.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -99.92 95.93 7.22 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.721 2.008 . . . . 1.0 112.129 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.51 69.84 1.37 Allowed Glycine 0 CA--C 1.532 1.1 0 C-N-CA 128.468 2.937 . . . . 1.0 118.493 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -54.11 -43.3 70.31 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 125.338 1.455 . . . . 1.0 112.025 171.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -86.92 131.74 34.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.17 1.788 . . . . 1.0 114.104 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.1 -14.54 5.93 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 128.171 2.796 . . . . 1.0 117.251 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.3 p -162.4 139.73 6.29 Favored Pre-proline 0 CA--C 1.562 1.427 0 C-N-CA 128.064 2.546 . . . . 1.0 113.635 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -65.32 -30.38 53.97 Favored 'Trans proline' 0 CA--C 1.548 1.184 0 C-N-CA 123.958 3.106 . . . . 1.0 114.185 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -60.69 -39.0 86.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.84 1.656 . . . . 1.0 113.471 172.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.614 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.8 t -64.47 -39.57 94.06 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.159 1.17 . . . . 1.0 114.159 173.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.5 t -57.98 -51.81 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 117.114 -1.422 . . . . 1.0 109.002 171.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -56.42 -42.24 77.7 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.987 0.915 . . . . 1.0 113.456 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.99 95.14 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.831 1.252 . . . . 1.0 113.001 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -64.18 -56.57 13.79 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.667 1.587 . . . . 1.0 113.078 171.829 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.93 -37.38 14.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.99 2.516 . . . . 1.0 113.774 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.78 -52.85 63.72 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.717 1.607 . . . . 1.0 113.183 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.45 82.37 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.028 1.331 . . . . 1.0 112.335 172.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.93 -49.1 79.12 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.835 1.254 . . . . 1.0 112.639 171.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tmmt? -54.53 -46.93 73.65 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 126.49 1.916 . . . . 1.0 112.485 172.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.24 -44.06 92.37 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.683 1.993 . . . . 1.0 112.502 171.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -60.32 -44.07 95.8 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.962 1.705 . . . . 1.0 113.568 172.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.58 -46.96 85.91 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 126.116 1.766 . . . . 1.0 111.802 171.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.07 -54.48 33.42 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.065 2.146 . . . . 1.0 111.09 -176.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -100.79 162.73 12.71 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 128.445 2.698 . . . . 1.0 115.505 -172.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -41.06 12.89 Favored 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 126.386 1.874 . . . . 1.0 111.343 171.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -53.01 -27.67 20.45 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 130.3 3.44 . . . . 1.0 118.768 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -98.18 110.49 23.06 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 119.797 3.258 . . . . 1.0 119.797 -170.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -103.56 131.62 50.53 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.591 2.756 . . . . 1.0 110.804 171.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.09 136.43 54.15 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.071 2.148 . . . . 1.0 113.175 -175.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.455 ' O ' HD12 ' A' ' 5' ' ' ILE . 29.6 tt0 -129.91 134.33 47.42 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.851 1.66 . . . . 1.0 112.132 -176.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -107.23 123.45 48.32 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 128.028 2.531 . . . . 1.0 110.469 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.2 t -128.59 118.8 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 127.026 2.13 . . . . 1.0 110.37 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.565 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -87.76 92.01 8.96 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 119.995 -1.69 . . . . 1.0 114.651 -172.2 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.45 -38.97 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 119.622 -1.924 . . . . 1.0 112.708 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -74.97 -16.29 60.64 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.87 1.268 . . . . 1.0 113.361 174.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.565 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -95.88 -51.99 4.25 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 119.426 1.012 . . . . 1.0 112.792 172.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.8 -9.35 54.32 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 126.677 1.991 . . . . 1.0 116.106 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.26 37.08 6.35 Favored Glycine 0 N--CA 1.483 1.779 0 C-N-CA 126.247 1.88 . . . . 1.0 116.591 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.8 mt -117.34 149.22 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 128.699 2.8 . . . . 1.0 110.002 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -131.96 168.93 17.05 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.051 1.74 . . . . 1.0 115.215 -171.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -44.27 -44.99 8.39 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.461 2.704 . . . . 1.0 112.096 171.535 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -60.22 -36.16 77.08 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.793 1.637 . . . . 1.0 111.747 -178.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -74.93 -50.07 18.03 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.523 1.929 . . . . 1.0 112.015 172.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.21 -45.2 88.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.109 1.764 . . . . 1.0 113.558 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.677 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.1 pt20 -59.02 -31.37 68.77 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.624 1.342 . . . . 1.0 114.624 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -77.26 -47.23 20.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.309 1.844 . . . . 1.0 111.312 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -42.02 76.01 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.879 1.272 . . . . 1.0 112.28 171.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.12 -21.91 60.65 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.132 2.573 . . . . 1.0 116.331 174.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.01 26.28 58.02 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-N 119.291 0.951 . . . . 1.0 112.884 -171.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -139.59 120.35 9.49 Favored Pre-proline 0 N--CA 1.481 1.102 0 C-N-CA 130.883 3.673 . . . . 1.0 108.981 -171.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.49 75.39 1.99 Allowed 'Trans proline' 0 CA--C 1.55 1.284 0 C-N-CA 124.673 3.582 . . . . 1.0 113.814 -172.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.677 HG22 ' HB3' ' A' ' 49' ' ' GLN . 12.4 m -71.19 149.45 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 125.319 1.448 . . . . 1.0 113.257 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 15.4 tp10 -131.79 -21.16 2.48 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 126.689 1.995 . . . . 1.0 113.977 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.7 p -140.11 -179.36 5.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 130.71 3.604 . . . . 1.0 112.797 -173.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.59 154.71 38.42 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 127.759 2.424 . . . . 1.0 111.702 171.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.19 166.67 82.6 Favored 'Cis proline' 0 CA--C 1.544 0.994 0 N-CA-C 116.066 1.526 . . . . 1.0 116.066 7.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.443 HE22 HG11 ' A' ' 56' ' ' VAL . 79.4 mm-40 -134.82 76.32 1.62 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.176 2.19 . . . . 1.0 112.56 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.4 mt -111.75 151.21 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 128.819 2.848 . . . . 1.0 114.535 174.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -130.69 110.36 11.31 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.696 2.398 . . . . 1.0 109.056 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.5 t -93.87 138.83 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.768 1.627 . . . . 1.0 109.224 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.304 6.7 p-10 41.66 31.43 0.2 Allowed 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 127.491 2.316 . . . . 1.0 115.168 -171.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.255 60.7 mm-40 74.21 9.44 4.52 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 129.992 3.317 . . . . 1.0 117.07 -174.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -107.71 146.65 31.8 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 128.041 2.536 . . . . 1.0 112.136 172.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -64.96 115.89 5.84 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.857 -1.152 . . . . 1.0 113.327 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.6 mm -133.04 94.68 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 129.134 2.974 . . . . 1.0 104.555 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.57 -58.5 0.01 OUTLIER Glycine 0 N--CA 1.475 1.257 0 C-N-CA 128.99 3.186 . . . . 1.0 116.42 -172.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.77 -142.08 13.53 Favored Glycine 0 C--O 1.218 -0.864 0 C-N-CA 127.303 2.383 . . . . 1.0 111.517 -173.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -32.29 -51.08 0.25 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 127.164 2.186 . . . . 1.0 114.312 -175.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 74' ' ' ASP . 8.8 t -60.65 -61.47 2.56 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 121.164 1.802 . . . . 1.0 115.019 171.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.424 ' H ' HG23 ' A' ' 73' ' ' THR . 1.3 m-20 -62.2 -57.38 11.7 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 130.153 3.381 . . . . 1.0 110.67 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -37.62 62.99 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.147 2.579 . . . . 1.0 114.36 171.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.8 -41.43 91.91 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.252 1.387 . . . . 1.0 111.996 171.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.95 97.67 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.382 1.073 . . . . 1.0 111.273 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -57.28 -53.19 60.88 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.057 2.143 . . . . 1.0 111.175 171.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.3 t -51.55 -52.76 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.845 2.058 . . . . 1.0 111.983 172.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -53.01 59.08 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 120.535 1.516 . . . . 1.0 111.707 172.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.47 -13.37 3.52 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 127.863 2.465 . . . . 1.0 115.553 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -100.37 -59.33 1.73 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 128.171 2.588 . . . . 1.0 112.849 171.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.6 mt -72.74 -62.37 1.48 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.651 2.381 . . . . 1.0 112.981 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.08 0.56 9.23 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.114 2.566 . . . . 1.0 115.367 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.451 0 C-N-CA 129.949 3.299 . . . . 1.0 114.856 172.444 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.5 2.033 0 N-CA-C 117.587 2.44 . . . . 1.0 117.587 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 26.7 t -123.45 160.13 27.53 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.089 1.756 . . . . 1.0 113.854 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 156.24 -6.38 0.23 Allowed Glycine 0 CA--C 1.542 1.729 0 N-CA-C 117.651 1.82 . . . . 1.0 117.651 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.37 18.02 1.22 Allowed 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 128.499 2.72 . . . . 1.0 116.346 172.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 53.7 t -73.87 123.86 25.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 130.848 3.659 . . . . 1.0 116.028 -171.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.81 -176.75 0.14 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 130.181 3.392 . . . . 1.0 113.637 175.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.499 2.024 0 C-N-CA 127.486 2.314 . . . . 1.0 115.104 174.622 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 tpp . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.535 0.683 . . . . 1.0 111.574 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.79 122.11 41.64 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.057 2.143 . . . . 1.0 111.297 176.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.3 m -117.74 114.09 22.81 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 126.41 1.884 . . . . 1.0 110.952 -172.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 t -110.92 129.38 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 127.141 2.176 . . . . 1.0 110.252 -173.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 mt -113.47 127.37 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 127.666 2.386 . . . . 1.0 110.814 -171.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -115.69 96.17 5.49 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.372 1.469 . . . . 1.0 112.145 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.68 28.6 5.91 Favored Glycine 0 N--CA 1.48 1.616 0 N-CA-C 121.53 3.372 . . . . 1.0 121.53 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -54.47 34.5 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 119.69 1.745 . . . . 1.0 112.354 177.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -71.24 59.84 0.27 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 125.927 1.691 . . . . 1.0 112.912 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.98 -61.34 0.02 OUTLIER Glycine 0 CA--C 1.539 1.549 0 C-N-CA 128.79 3.09 . . . . 1.0 113.938 -172.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.479 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.8 p -132.37 132.07 22.67 Favored Pre-proline 0 CA--C 1.562 1.414 0 C-N-CA 126.246 1.819 . . . . 1.0 115.746 -172.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -49.0 -40.71 40.86 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 125.293 3.995 . . . . 1.0 116.552 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.1 -39.16 88.92 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.677 1.126 . . . . 1.0 113.514 176.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.479 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.4 t -64.26 -40.06 95.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.287 1.435 . . . . 1.0 111.639 171.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.44 -51.97 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.589 1.156 . . . . 1.0 112.876 171.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -52.84 -41.33 64.15 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 120.189 1.359 . . . . 1.0 111.961 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -64.81 -44.15 90.83 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 125.298 1.439 . . . . 1.0 114.315 171.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmpt? -58.63 -54.42 47.32 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 127.134 2.174 . . . . 1.0 112.736 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.47 -44.61 65.68 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.625 2.77 . . . . 1.0 112.383 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.62 -50.23 74.33 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.039 1.335 . . . . 1.0 112.467 171.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.0 -43.46 77.69 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.646 1.178 . . . . 1.0 113.278 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.88 -47.83 84.18 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.833 1.653 . . . . 1.0 113.125 171.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -54.0 -46.7 71.81 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 127.369 2.268 . . . . 1.0 112.172 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -57.29 -55.03 40.07 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.295 2.238 . . . . 1.0 112.694 172.071 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 t -59.7 -31.73 69.85 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 114.593 1.331 . . . . 1.0 114.593 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.26 -47.27 71.23 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 126.854 2.062 . . . . 1.0 109.834 170.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -66.11 -32.65 74.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.058 2.543 . . . . 1.0 113.743 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.429 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -139.78 163.86 31.5 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 116.671 2.1 . . . . 1.0 116.671 176.479 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -98.11 -13.46 20.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.459 2.303 . . . . 1.0 113.603 171.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -42.65 61.43 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.115 2.166 . . . . 1.0 111.743 171.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CD2' HD12 ' A' ' 24' ' ' LEU . 20.7 t80 -98.35 142.22 30.26 Favored 'General case' 0 CA--C 1.552 1.056 1 C-N-CA 132.193 4.197 . . . . 1.0 114.301 -172.152 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -133.04 131.1 40.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.891 2.476 . . . . 1.0 111.558 172.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 135.91 49.3 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.544 1.538 . . . . 1.0 113.031 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.17 140.45 50.76 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.212 1.805 . . . . 1.0 111.204 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -123.76 123.43 40.48 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.162 1.785 . . . . 1.0 113.525 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.03 119.1 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 129.704 3.202 . . . . 1.0 111.074 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.667 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -73.66 107.23 5.79 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.162 1.912 . . . . 1.0 116.162 173.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 48' ' ' LEU . 2.3 pp -77.9 -35.44 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 120.687 -1.258 . . . . 1.0 112.044 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -65.27 -37.41 87.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.152 1.381 . . . . 1.0 111.4 171.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -85.16 -47.94 9.64 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.27 0.841 . . . . 1.0 113.27 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.29 -8.6 26.03 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.641 1.719 . . . . 1.0 115.641 172.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.3 58.01 3.03 Favored Glycine 0 N--CA 1.484 1.891 0 C-N-CA 127.343 2.401 . . . . 1.0 115.004 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.1 mt -136.02 156.23 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 129.585 3.154 . . . . 1.0 111.994 -171.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 t -131.35 170.07 15.14 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.631 2.772 . . . . 1.0 112.79 -177.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -59.63 -30.0 68.41 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.308 -1.495 . . . . 1.0 114.015 172.433 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -57.13 -51.67 68.36 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.994 1.27 . . . . 1.0 111.508 171.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -57.14 -48.99 77.3 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.258 2.223 . . . . 1.0 112.099 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 38' ' ' ILE . 19.1 mt -66.56 -16.55 64.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.831 1.652 . . . . 1.0 114.868 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.443 ' CB ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -85.18 -47.71 9.85 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.253 1.421 . . . . 1.0 108.254 171.034 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -57.34 -66.12 0.51 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 128.756 2.822 . . . . 1.0 113.554 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -53.04 -15.21 0.75 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 126.747 2.019 . . . . 1.0 115.708 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.67 -21.27 11.33 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.826 2.85 . . . . 1.0 117.144 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.94 2.31 12.28 Favored Glycine 0 CA--C 1.55 2.264 0 C-N-CA 124.997 1.284 . . . . 1.0 115.116 -171.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -85.29 125.87 68.75 Favored Pre-proline 0 N--CA 1.488 1.428 0 C-N-CA 130.419 3.488 . . . . 1.0 110.707 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -78.5 64.92 8.62 Favored 'Trans proline' 0 CA--C 1.552 1.399 0 C-N-CA 123.822 3.015 . . . . 1.0 112.63 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.443 HG22 ' CB ' ' A' ' 49' ' ' GLN . 3.2 m -73.55 150.65 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 124.862 1.265 . . . . 1.0 113.888 -179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -130.05 -37.13 1.5 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 127.265 2.226 . . . . 1.0 112.964 172.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . 0.303 19.5 p -130.69 -178.29 4.73 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 127.089 2.156 . . . . 1.0 115.008 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.83 161.7 37.87 Favored Pre-proline 0 N--CA 1.493 1.706 0 C-N-CA 126.924 2.09 . . . . 1.0 112.573 175.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.04 168.22 60.11 Favored 'Cis proline' 0 CA--C 1.553 1.438 0 N-CA-C 115.654 1.367 . . . . 1.0 115.654 0.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.437 HE22 HG11 ' A' ' 56' ' ' VAL . 83.4 mm-40 -137.87 72.05 1.41 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.598 2.359 . . . . 1.0 111.844 -173.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.498 HD12 ' HB1' ' A' ' 17' ' ' ALA . 8.9 mt -113.95 151.62 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 127.386 2.274 . . . . 1.0 114.573 176.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -119.83 118.26 30.32 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.152 2.181 . . . . 1.0 107.928 175.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.6 t -104.56 126.91 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 124.909 1.284 . . . . 1.0 109.055 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 44.54 53.42 7.08 Favored 'General case' 0 CA--C 1.572 1.816 0 C-N-CA 127.762 2.425 . . . . 1.0 110.916 -171.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.15 10.55 0.63 Allowed 'General case' 0 CA--C 1.566 1.585 1 C-N-CA 132.269 4.228 . . . . 1.0 116.205 -171.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -104.87 114.83 29.27 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 128.247 2.619 . . . . 1.0 110.552 -175.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.96 107.82 1.99 Allowed 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.673 -1.267 . . . . 1.0 112.149 -174.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.5 mm -97.01 173.85 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.008 1 C-N-CA 132.773 4.429 . . . . 1.0 108.877 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.63 -71.75 1.01 Allowed Glycine 0 CA--C 1.536 1.4 0 O-C-N 118.859 -2.401 . . . . 1.0 109.629 171.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.08 -131.99 5.66 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 127.007 2.241 . . . . 1.0 109.314 -171.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -32.3 -53.44 0.3 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.86 2.464 . . . . 1.0 114.887 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -60.9 -55.67 30.29 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 115.017 1.488 . . . . 1.0 115.017 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -69.75 -51.4 34.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 129.07 2.948 . . . . 1.0 112.585 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -51.05 -45.32 61.31 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 130.38 3.472 . . . . 1.0 112.978 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.95 -50.79 72.18 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.478 1.511 . . . . 1.0 112.529 171.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.41 96.7 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 125.488 1.515 . . . . 1.0 113.778 172.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -56.71 -53.27 59.65 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 128.073 2.549 . . . . 1.0 112.049 171.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.0 t -52.04 -50.12 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 125.664 1.586 . . . . 1.0 111.118 171.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -56.94 -48.06 79.2 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.619 1.168 . . . . 1.0 113.48 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -12.93 7.14 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 127.009 2.123 . . . . 1.0 116.156 171.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -99.73 -57.88 2.04 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 127.733 2.413 . . . . 1.0 112.305 171.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.8 mt -81.76 -55.8 4.4 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 127.816 2.447 . . . . 1.0 114.925 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -71.48 1.86 5.85 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.385 1.474 . . . . 1.0 114.977 172.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 C-N-CA 130.377 3.471 . . . . 1.0 117.077 -172.048 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 106.663 -1.606 . . . . 1.0 106.663 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 11.5 p -159.58 146.9 16.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.317 2.247 . . . . 1.0 114.085 -173.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 149.86 -7.76 0.8 Allowed Glycine 0 N--CA 1.477 1.402 0 N-CA-C 119.335 2.494 . . . . 1.0 119.335 171.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.24 21.15 2.94 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 116.629 2.085 . . . . 1.0 116.629 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.03 129.89 38.75 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 128.346 2.658 . . . . 1.0 114.216 -172.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt 176.56 119.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 130.457 3.503 . . . . 1.0 110.248 -172.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.33 7.9 tp . . . . . 0 N--CA 1.497 1.901 0 C-N-CA 127.328 2.251 . . . . 1.0 114.053 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.529 0.204 . . . . 1.0 111.288 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -118.6 115.68 25.06 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.334 2.254 . . . . 1.0 112.368 172.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 94.6 m -110.53 116.86 32.12 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.387 1.875 . . . . 1.0 109.889 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.95 121.27 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 128.068 2.547 . . . . 1.0 109.329 -172.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 34' ' ' GLN . 3.3 mp -109.01 136.22 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.852 1.661 . . . . 1.0 111.718 -172.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -116.07 111.53 20.43 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.825 1.25 . . . . 1.0 112.372 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.5 24.19 26.77 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 121.83 3.492 . . . . 1.0 121.83 172.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -52.1 -51.65 56.4 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.929 2.092 . . . . 1.0 114.162 -172.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.8 m -63.81 -0.19 0.99 Allowed 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 116.159 1.911 . . . . 1.0 116.159 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.24 -13.31 39.46 Favored Glycine 0 CA--C 1.544 1.859 0 N-CA-C 117.831 1.892 . . . . 1.0 117.831 174.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 12.3 p -167.4 139.48 2.65 Favored Pre-proline 0 CA--C 1.563 1.446 0 N-CA-C 116.994 2.22 . . . . 1.0 116.994 -172.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.11 -33.22 32.2 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 125.15 3.9 . . . . 1.0 115.672 -172.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -66.13 -38.92 89.34 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 120.34 1.427 . . . . 1.0 111.42 172.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.478 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 4.6 t -59.09 -40.23 84.65 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.806 1.242 . . . . 1.0 111.678 171.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.77 -52.4 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 116.133 -1.889 . . . . 1.0 111.085 171.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -59.59 -42.09 91.76 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 120.537 1.517 . . . . 1.0 112.517 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.81 88.08 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.219 1.408 . . . . 1.0 113.806 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -63.66 -54.41 36.09 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.284 1.433 . . . . 1.0 112.04 172.04 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.07 -38.15 36.95 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.319 2.647 . . . . 1.0 113.079 175.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.58 -51.82 68.18 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 126.411 1.885 . . . . 1.0 112.221 171.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.57 97.84 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.549 1.14 . . . . 1.0 113.606 172.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.82 -45.47 89.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.683 1.593 . . . . 1.0 112.894 172.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -55.12 -50.09 70.1 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 128.32 2.648 . . . . 1.0 112.293 171.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.74 -53.21 60.65 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.953 2.101 . . . . 1.0 112.47 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 t -58.81 -34.99 72.15 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.983 1.713 . . . . 1.0 114.28 173.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -43.91 81.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.207 2.203 . . . . 1.0 112.784 171.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -66.92 -50.68 61.63 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.927 2.091 . . . . 1.0 111.924 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.335 18.1 mtm105 -91.93 -165.65 1.39 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 116.073 1.879 . . . . 1.0 116.073 -171.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -128.56 -5.07 5.29 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.943 2.497 . . . . 1.0 117.36 -171.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -134.0 -15.4 2.31 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 119.093 2.997 . . . . 1.0 119.093 -170.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -97.42 115.09 27.09 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.4 3.08 . . . . 1.0 110.875 -170.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -98.72 132.53 44.03 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 131.088 3.755 . . . . 1.0 113.165 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.06 135.65 54.5 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 127.722 2.409 . . . . 1.0 113.989 -175.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.469 ' O ' HD12 ' A' ' 5' ' ' ILE . 6.1 tt0 -133.2 149.3 52.03 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 127.663 2.385 . . . . 1.0 113.254 175.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -126.22 123.54 38.41 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.864 1.666 . . . . 1.0 112.868 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -112.87 120.52 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 130.342 3.457 . . . . 1.0 111.343 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.52 86.94 7.35 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 119.594 -1.941 . . . . 1.0 112.497 -173.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -72.15 -39.94 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 119.515 -1.991 . . . . 1.0 110.687 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -7.86 53.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 128.076 2.55 . . . . 1.0 113.638 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.39 -41.31 2.85 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.826 1.417 . . . . 1.0 114.826 172.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -66.23 -24.04 66.53 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.783 1.633 . . . . 1.0 114.734 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.58 29.71 2.61 Favored Glycine 0 N--CA 1.484 1.849 0 N-CA-C 117.721 1.848 . . . . 1.0 117.721 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.4 mt -118.39 159.95 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 128.877 2.871 . . . . 1.0 112.359 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 t -133.95 165.26 25.43 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 127.261 2.224 . . . . 1.0 115.022 -171.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HE2' ' OE2' ' A' ' 46' ' ' GLU 0.263 0.1 OUTLIER -58.85 -25.49 63.31 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.981 1.312 . . . . 1.0 114.43 172.05 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' OE2' ' HE2' ' A' ' 45' ' ' LYS . 8.6 mp0 -61.64 -49.64 75.74 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.644 1.577 . . . . 1.0 110.656 171.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.3 -39.44 86.95 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 127.308 2.243 . . . . 1.0 113.891 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -73.77 -49.55 24.9 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 128.057 2.543 . . . . 1.0 113.195 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.906 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.9 pt20 -50.55 -32.63 19.02 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 121.352 1.887 . . . . 1.0 113.776 175.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -71.73 -67.17 0.55 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.014 2.126 . . . . 1.0 113.455 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -60.52 -13.66 15.19 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 126.5 1.92 . . . . 1.0 115.666 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.79 -22.7 16.79 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 129.377 3.071 . . . . 1.0 116.544 171.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.11 -31.49 0.94 Allowed Glycine 0 CA--C 1.548 2.12 0 C-N-CA 125.937 1.732 . . . . 1.0 113.554 -171.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -53.77 120.57 23.82 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 131.567 3.947 . . . . 1.0 111.871 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -76.34 68.72 6.75 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.772 2.981 . . . . 1.0 112.301 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.906 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.3 m -79.92 156.71 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 124.992 1.317 . . . . 1.0 113.788 -175.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -138.52 -40.76 0.5 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 127.234 2.213 . . . . 1.0 112.052 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 47.6 p -109.99 -179.06 3.69 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.926 2.49 . . . . 1.0 113.528 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.42 158.31 38.93 Favored Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 125.679 1.592 . . . . 1.0 110.032 171.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.18 169.71 73.05 Favored 'Cis proline' 0 CA--C 1.545 1.032 0 N-CA-C 115.124 1.163 . . . . 1.0 115.124 4.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.564 HE22 HG11 ' A' ' 56' ' ' VAL . 97.0 mm-40 -135.44 67.98 1.47 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 128.306 2.642 . . . . 1.0 110.714 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.5 mt -99.51 151.43 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 126.554 1.941 . . . . 1.0 113.95 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -123.32 117.76 25.99 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.821 2.448 . . . . 1.0 109.234 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.5 t -107.22 128.11 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 125.164 1.386 . . . . 1.0 108.818 175.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 47.19 45.75 16.35 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 127.619 2.368 . . . . 1.0 112.048 -171.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.267 2.0 tm0? 70.64 9.06 6.79 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 130.764 3.626 . . . . 1.0 117.377 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.51 HE22 HD11 ' A' ' 69' ' ' ILE . 1.9 pp0? -121.82 151.65 40.38 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.475 1.91 . . . . 1.0 112.133 172.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -73.84 107.76 6.26 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.319 1.97 . . . . 1.0 116.319 -171.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.51 HD11 HE22 ' A' ' 67' ' ' GLN . 26.6 mm -108.9 102.03 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 128.762 2.825 . . . . 1.0 103.996 171.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -18.62 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.481 1.678 0 C-N-CA 127.453 2.454 . . . . 1.0 116.09 -171.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.55 -137.72 8.72 Favored Glycine 0 C--O 1.219 -0.81 0 C-N-CA 127.574 2.512 . . . . 1.0 107.856 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -33.62 -54.84 0.45 Allowed 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 127.505 2.322 . . . . 1.0 111.225 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.583 HG21 ' HB3' ' B' ' 144' ' ' GLU . 1.6 t -50.28 -61.29 2.26 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 128.72 2.808 . . . . 1.0 116.719 171.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.14 -44.61 68.54 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.083 2.553 . . . . 1.0 113.384 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.33 -52.73 64.18 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 130.705 3.602 . . . . 1.0 113.273 173.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.62 -46.89 80.67 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.573 1.549 . . . . 1.0 112.681 172.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.89 98.03 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.235 1.014 . . . . 1.0 113.182 172.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -59.95 -53.59 56.03 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.96 1.704 . . . . 1.0 112.221 172.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -51.89 -50.97 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 127.413 2.285 . . . . 1.0 111.445 172.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -56.68 -56.74 17.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.269 1.428 . . . . 1.0 112.627 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -13.25 3.4 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 127.016 2.126 . . . . 1.0 115.022 173.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -100.0 -60.01 1.61 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.479 1.912 . . . . 1.0 114.526 171.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.12 -60.02 2.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.837 2.855 . . . . 1.0 113.179 -173.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -72.73 -14.89 61.65 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 115.256 1.576 . . . . 1.0 115.256 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.322 0 C-N-CA 131.524 3.929 . . . . 1.0 115.468 176.587 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . 0.583 ' HB3' HG21 ' A' ' 73' ' ' THR 0.264 4.2 pt-20 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 123.0 1.381 . . . . 1.0 113.14 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.11 143.89 42.77 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.78 1.632 . . . . 1.0 115.358 174.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 158.83 -14.3 0.23 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 127.306 2.384 . . . . 1.0 116.919 171.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 52.91 19.65 1.39 Allowed 'General case' 0 CA--C 1.57 1.726 0 C-N-CA 127.573 2.349 . . . . 1.0 114.681 177.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 11.3 t -73.71 135.25 43.64 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 131.522 3.929 . . . . 1.0 115.647 -171.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt 177.31 163.43 0.53 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 131.106 3.762 . . . . 1.0 110.778 -171.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.491 1.609 0 C-N-CA 124.296 1.039 . . . . 1.0 113.019 171.63 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 121.964 0.887 . . . . 1.0 111.583 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.07 121.53 40.04 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.907 2.083 . . . . 1.0 111.311 174.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 m -117.98 113.5 21.77 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 125.972 1.709 . . . . 1.0 111.351 -172.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 t -110.53 135.88 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 126.764 2.025 . . . . 1.0 112.094 -171.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mt -118.03 123.26 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 128.063 2.545 . . . . 1.0 111.117 -171.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.4 ' HB3' HG21 ' A' ' 38' ' ' ILE . 95.8 m-85 -112.32 103.44 11.57 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.782 2.033 . . . . 1.0 111.739 -173.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.67 72.99 1.13 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.352 1.929 . . . . 1.0 117.244 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -83.62 -46.29 12.52 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.93 1.292 . . . . 1.0 112.583 171.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -63.86 87.37 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 130.375 3.47 . . . . 1.0 112.324 -171.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.41 -13.25 6.26 Favored Glycine 0 CA--C 1.543 1.82 0 C-N-CA 126.543 2.02 . . . . 1.0 117.478 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 11.6 p -135.2 119.76 13.52 Favored Pre-proline 0 CA--C 1.554 1.132 0 CA-C-N 120.396 2.098 . . . . 1.0 116.013 172.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -68.6 -26.05 34.01 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 123.961 3.107 . . . . 1.0 114.593 -171.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -68.53 -38.72 81.1 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.701 0.8 . . . . 1.0 112.84 172.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.452 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 3.3 t -60.22 -41.29 92.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.72 1.208 . . . . 1.0 110.547 171.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.8 -50.7 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-O 116.168 -1.872 . . . . 1.0 111.019 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -49.24 -42.28 40.18 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 121.78 2.082 . . . . 1.0 112.116 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.494 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -65.7 -45.2 83.65 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 126.221 1.808 . . . . 1.0 114.503 174.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -55.51 33.71 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 127.46 2.304 . . . . 1.0 111.798 171.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -52.34 -44.35 65.12 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.533 2.733 . . . . 1.0 112.31 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.26 -50.17 72.79 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.957 1.703 . . . . 1.0 113.709 172.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.76 -45.03 74.16 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.036 0.934 . . . . 1.0 111.871 172.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.71 -44.2 96.87 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.477 1.911 . . . . 1.0 112.47 171.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -53.54 -50.86 64.6 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 128.195 2.598 . . . . 1.0 110.85 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.65 -47.14 87.57 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.85 2.06 . . . . 1.0 113.977 171.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.1 -48.56 70.59 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.58 1.552 . . . . 1.0 113.568 175.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -66.63 -45.3 79.5 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 129.614 3.166 . . . . 1.0 113.63 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -64.82 -35.02 79.77 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.889 1.675 . . . . 1.0 113.044 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.299 10.1 mtm105 -108.59 -177.73 3.4 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.871 2.069 . . . . 1.0 113.407 -178.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -113.3 -28.88 7.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 129.057 2.943 . . . . 1.0 116.365 -170.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.63 -15.15 15.37 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 116.851 2.167 . . . . 1.0 116.851 -171.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.38 123.97 41.39 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 129.752 3.221 . . . . 1.0 110.503 -171.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -123.57 131.65 53.68 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.744 2.018 . . . . 1.0 111.827 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -108.71 136.26 48.58 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 127.05 2.14 . . . . 1.0 113.881 -172.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.68 133.74 47.25 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.42 1.488 . . . . 1.0 111.415 -173.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -115.66 123.9 49.53 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.694 1.997 . . . . 1.0 114.931 -176.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -126.47 115.71 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 129.274 3.03 . . . . 1.0 112.934 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.61 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.431 0.0 OUTLIER -78.06 88.87 4.18 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 115.787 1.773 . . . . 1.0 115.787 171.253 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.4 HG21 ' HB3' ' A' ' 6' ' ' PHE . 2.3 pp -60.25 -38.05 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.522 1.529 . . . . 1.0 110.234 171.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -9.64 57.31 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 129.506 3.122 . . . . 1.0 114.413 174.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -122.31 -45.14 2.23 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 114.1 1.148 . . . . 1.0 114.1 175.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -63.22 -31.65 72.85 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 127.979 2.511 . . . . 1.0 114.056 172.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.98 63.12 0.68 Allowed Glycine 0 N--CA 1.484 1.891 0 C-N-CA 126.4 1.952 . . . . 1.0 114.168 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.2 mp -143.72 159.15 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 129.492 3.117 . . . . 1.0 108.709 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -150.29 169.94 20.18 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.668 1.187 . . . . 1.0 114.148 -171.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -33.41 22.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.898 2.479 . . . . 1.0 114.288 171.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -59.94 -32.64 70.98 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.974 1.709 . . . . 1.0 111.868 171.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.61 -57.39 3.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.804 2.042 . . . . 1.0 111.346 172.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.2 mt -54.93 -38.45 67.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.441 1.896 . . . . 1.0 112.995 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.617 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.5 pt20 -64.3 -45.94 85.79 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.5 1.52 . . . . 1.0 112.704 171.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -61.56 -40.45 94.76 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.911 1.684 . . . . 1.0 111.891 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -64.7 -48.01 76.27 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 126.708 2.003 . . . . 1.0 112.406 171.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.85 -22.98 58.37 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.742 2.417 . . . . 1.0 116.996 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.54 -33.04 1.61 Allowed Glycine 0 CA--C 1.545 1.919 0 C-N-CA 125.496 1.522 . . . . 1.0 112.953 -171.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HE3' HG12 ' A' ' 56' ' ' VAL . 38.1 tttp -68.19 118.39 58.51 Favored Pre-proline 0 N--CA 1.482 1.165 0 C-N-CA 128.524 2.73 . . . . 1.0 108.615 171.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.09 56.86 0.05 OUTLIER 'Trans proline' 0 CA--C 1.557 1.668 1 C-N-CA 126.04 4.493 . . . . 1.0 115.959 173.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' A' ' 49' ' ' GLN . 17.1 m -58.53 143.64 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 O-C-N 120.269 -1.519 . . . . 1.0 113.475 -172.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -125.73 -47.93 1.67 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.422 1.089 . . . . 1.0 112.497 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -105.3 -179.63 4.0 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 128.667 2.787 . . . . 1.0 113.489 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.15 161.73 32.29 Favored Pre-proline 0 N--CA 1.487 1.393 0 C-N-CA 126.877 2.071 . . . . 1.0 110.547 172.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -74.61 169.46 74.15 Favored 'Cis proline' 0 CA--C 1.55 1.306 0 N-CA-C 115.491 1.304 . . . . 1.0 115.491 4.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.414 HE22 ' CG1' ' A' ' 56' ' ' VAL . 80.1 mm-40 -140.5 80.4 1.75 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.385 2.274 . . . . 1.0 112.49 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.494 HD12 ' HB1' ' A' ' 17' ' ' ALA . 11.7 mt -113.37 151.85 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 128.228 2.611 . . . . 1.0 115.294 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -129.14 111.62 13.12 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 129.114 2.965 . . . . 1.0 110.316 176.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.9 t -94.81 133.14 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 126.02 1.728 . . . . 1.0 109.433 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 39.96 56.72 2.44 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 129.319 3.048 . . . . 1.0 110.585 -171.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.287 1.5 pt20 54.0 13.47 0.57 Allowed 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 129.792 3.237 . . . . 1.0 119.311 -172.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -124.29 147.22 48.28 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 121.6 2.0 . . . . 1.0 113.423 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -60.83 124.46 20.51 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.949 1.463 . . . . 1.0 114.949 -171.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -138.1 96.98 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 129.117 2.967 . . . . 1.0 104.666 171.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -16.99 -59.01 0.01 OUTLIER Glycine 0 N--CA 1.479 1.559 0 C-N-CA 127.881 2.658 . . . . 1.0 117.837 -172.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.59 -139.56 11.05 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 126.931 2.205 . . . . 1.0 110.707 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.466 ' H ' ' HB2' ' A' ' 17' ' ' ALA . 13.6 t80 -32.89 -55.07 0.38 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.384 2.274 . . . . 1.0 114.933 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 t -53.93 -61.84 2.04 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 125.934 1.694 . . . . 1.0 114.108 171.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.88 -57.83 4.58 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 129.953 3.301 . . . . 1.0 111.968 -174.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -47.7 -44.97 28.07 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 129.181 2.993 . . . . 1.0 113.734 172.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.74 -50.69 72.97 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.331 0.969 . . . . 1.0 112.178 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.04 92.4 Favored 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 124.552 1.141 . . . . 1.0 113.73 173.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -57.26 -52.98 63.14 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 129.357 3.063 . . . . 1.0 112.567 172.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.48 -46.56 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 127.11 2.164 . . . . 1.0 111.163 171.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -58.31 -36.0 72.69 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.163 1.347 . . . . 1.0 114.101 175.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -56.67 -15.95 5.42 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 120.019 1.281 . . . . 1.0 113.161 170.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -99.86 -59.86 1.64 Allowed 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 129.297 3.039 . . . . 1.0 113.397 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.7 mt -78.92 -29.34 44.1 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 127.793 2.437 . . . . 1.0 116.6 -172.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.45 6.88 37.88 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 128.999 2.919 . . . . 1.0 113.19 172.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.185 0 C-N-CA 129.803 3.241 . . . . 1.0 116.83 -171.516 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 123.532 1.634 . . . . 1.0 113.217 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 45.2 t -141.57 151.87 43.57 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.126 2.171 . . . . 1.0 114.863 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 149.89 -10.05 0.89 Allowed Glycine 0 CA--C 1.54 1.608 0 C-N-CA 128.041 2.734 . . . . 1.0 117.396 171.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.23 22.29 2.61 Favored 'General case' 0 CA--C 1.572 1.826 0 C-N-CA 126.862 2.065 . . . . 1.0 115.813 171.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 6.5 t -73.4 142.3 46.96 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 131.179 3.792 . . . . 1.0 116.811 -171.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt 177.16 166.71 0.57 Allowed 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 129.857 3.263 . . . . 1.0 114.211 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.6 tp . . . . . 0 N--CA 1.498 1.931 0 C-N-CA 129.913 3.285 . . . . 1.0 114.542 172.359 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.412 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 94.0 mmm . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 118.89 -0.576 . . . . 1.0 110.165 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -118.33 120.89 38.97 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 126.491 1.917 . . . . 1.0 112.354 174.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.6 m -120.7 115.18 22.84 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 125.636 1.575 . . . . 1.0 110.162 -179.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.4 t -111.47 132.21 60.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 127.418 2.287 . . . . 1.0 111.706 -171.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mp -120.52 126.33 75.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 126.803 2.041 . . . . 1.0 112.255 -171.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.412 ' HB3' HG21 ' A' ' 38' ' ' ILE . 85.5 m-85 -104.72 97.03 6.98 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 126.191 1.796 . . . . 1.0 113.162 -175.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.99 68.44 1.29 Allowed Glycine 0 CA--C 1.539 1.573 0 C-N-CA 127.343 2.401 . . . . 1.0 118.787 174.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 25.3 ttt180 -67.55 -60.08 2.84 Favored 'General case' 0 N--CA 1.491 1.588 0 C-N-CA 128.095 2.558 . . . . 1.0 109.86 171.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.8 m -65.49 72.63 0.05 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 128.47 2.708 . . . . 1.0 112.202 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 179.85 -23.89 0.04 OUTLIER Glycine 0 CA--C 1.538 1.49 0 N-CA-C 117.559 1.784 . . . . 1.0 117.559 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.537 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.4 p -164.66 144.96 6.19 Favored Pre-proline 0 CA--C 1.553 1.095 0 CA-C-N 119.707 1.754 . . . . 1.0 115.242 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -64.43 -36.82 42.2 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 123.561 2.841 . . . . 1.0 114.579 -172.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . 0.262 7.2 m-30 -68.15 -38.49 82.2 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-N 119.115 0.871 . . . . 1.0 112.645 178.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.537 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.6 t -62.3 -42.9 99.75 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 124.071 0.949 . . . . 1.0 111.435 171.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.1 t -57.29 -51.62 67.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.179 0 CA-C-O 118.18 -0.914 . . . . 1.0 110.274 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -54.45 -41.93 70.0 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.695 1.198 . . . . 1.0 111.906 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 72' ' ' TYR . . . -60.98 -46.6 90.07 Favored 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 126.026 1.73 . . . . 1.0 113.269 172.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.1 -54.58 45.34 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.248 1.819 . . . . 1.0 112.222 172.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.93 -43.22 63.36 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 128.121 2.568 . . . . 1.0 112.937 176.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -54.3 -48.92 70.74 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.643 1.177 . . . . 1.0 113.298 171.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -46.15 91.31 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 124.825 1.25 . . . . 1.0 113.591 172.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -57.96 -45.27 86.95 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 125.53 1.532 . . . . 1.0 113.472 172.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.76 -45.03 78.15 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 129.573 3.149 . . . . 1.0 112.586 172.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tt -65.9 -43.71 87.41 Favored 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.218 1.807 . . . . 1.0 111.29 171.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.4 t -57.36 -35.84 70.46 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.69 1.596 . . . . 1.0 113.658 171.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -66.3 -47.76 72.55 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 127.536 2.335 . . . . 1.0 110.705 171.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -63.43 -30.24 71.4 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.436 2.694 . . . . 1.0 113.669 -176.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -133.76 -175.11 3.72 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 116.334 1.976 . . . . 1.0 116.334 -172.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -122.02 -27.47 4.58 Favored 'General case' 0 CA--C 1.559 1.302 0 C-N-CA 129.957 3.303 . . . . 1.0 115.394 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 41.7 p-10 -68.81 -32.27 71.86 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 130.756 3.622 . . . . 1.0 116.076 172.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -98.03 102.85 14.72 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.105 2.962 . . . . 1.0 115.423 -171.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -99.3 132.31 44.71 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 128.867 2.867 . . . . 1.0 111.541 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -115.26 136.39 53.15 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.857 2.463 . . . . 1.0 112.762 -173.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -129.93 133.46 46.85 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 120.713 -1.242 . . . . 1.0 112.109 -178.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 9.0 t80 -111.11 123.62 50.56 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.208 1.403 . . . . 1.0 112.531 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.2 t -124.13 118.57 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 128.209 2.603 . . . . 1.0 110.593 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.309 0.0 OUTLIER -63.97 150.41 45.2 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.296 -1.502 . . . . 1.0 114.007 171.323 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.412 HG21 ' HB3' ' A' ' 6' ' ' PHE 0.276 2.0 pp -122.21 -45.11 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 124.831 1.252 . . . . 1.0 111.592 172.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' B' ' 150' ' ' ILE . 13.4 ttm180 -63.14 -41.67 99.34 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.947 1.299 . . . . 1.0 112.432 174.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.2 -55.64 11.56 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.272 0.942 . . . . 1.0 111.34 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -63.41 -11.42 22.91 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 130.132 3.373 . . . . 1.0 115.453 -172.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.08 16.72 68.93 Favored Glycine 0 CA--C 1.539 1.556 0 C-N-CA 126.393 1.949 . . . . 1.0 115.537 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mt -99.95 159.25 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 128.449 2.699 . . . . 1.0 110.095 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.1 t -148.77 169.03 21.37 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.607 1.336 . . . . 1.0 114.607 -171.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.3 0.1 OUTLIER -57.25 -25.17 58.74 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 124.714 1.206 . . . . 1.0 114.232 173.393 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 54.6 mp0 -68.17 -38.0 81.59 Favored 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 127.067 2.147 . . . . 1.0 112.079 172.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -70.32 -55.14 9.9 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 127.925 2.49 . . . . 1.0 111.28 171.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.0 mt -54.17 -47.3 72.16 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 127.176 2.191 . . . . 1.0 113.492 -178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.743 ' HB3' HG22 ' A' ' 56' ' ' VAL . 7.0 pt20 -59.29 -38.95 81.46 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.352 1.242 . . . . 1.0 114.352 176.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -62.72 -58.11 8.61 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.973 1.309 . . . . 1.0 111.496 173.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -50.29 -47.72 55.37 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.083 1.753 . . . . 1.0 114.126 174.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.02 -23.77 66.62 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.313 1.845 . . . . 1.0 115.757 174.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 81.64 -1.55 85.61 Favored Glycine 0 CA--C 1.547 2.091 0 C-N-CA 126.92 2.2 . . . . 1.0 117.152 -176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.5 tptp -126.97 127.11 24.44 Favored Pre-proline 0 N--CA 1.482 1.125 0 C-N-CA 129.672 3.189 . . . . 1.0 111.046 -176.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -56.98 107.38 0.28 Allowed 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.479 3.453 . . . . 1.0 111.792 171.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.743 HG22 ' HB3' ' A' ' 49' ' ' GLN . 24.1 m -96.88 151.38 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.308 1.443 . . . . 1.0 110.815 172.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -114.6 -40.53 3.57 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 125.242 1.417 . . . . 1.0 114.277 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.463 ' HB ' ' H ' ' B' ' 147' ' ' ALA . 37.1 p -139.13 -178.32 5.3 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 126.27 1.828 . . . . 1.0 112.97 -172.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.37 153.38 65.54 Favored Pre-proline 0 N--CA 1.484 1.23 0 C-N-CA 126.659 1.984 . . . . 1.0 111.505 171.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -77.76 163.55 87.78 Favored 'Cis proline' 0 CA--C 1.545 1.055 0 N-CA-C 115.253 1.213 . . . . 1.0 115.253 7.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.442 HE22 HG11 ' A' ' 56' ' ' VAL . 85.0 mm-40 -136.06 72.56 1.44 Allowed 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.718 2.007 . . . . 1.0 111.847 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 84.9 mt -108.93 152.15 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 129.065 2.946 . . . . 1.0 114.43 178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -125.59 139.42 53.6 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.997 2.519 . . . . 1.0 109.288 172.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.0 t -121.55 135.37 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 C-N-CA 126.954 2.101 . . . . 1.0 109.503 172.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.31 0.1 OUTLIER 35.82 53.23 0.85 Allowed 'General case' 0 CA--C 1.561 1.38 0 C-N-CA 128.205 2.602 . . . . 1.0 114.646 -172.416 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 69.1 4.2 4.44 Favored 'General case' 0 CA--C 1.568 1.641 1 C-N-CA 133.284 4.634 . . . . 1.0 115.953 -178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 -103.33 140.38 37.5 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 128.437 2.695 . . . . 1.0 111.157 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 65.4 t-80 -60.78 127.93 34.07 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.554 -1.341 . . . . 1.0 110.518 172.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.8 mm -140.34 98.01 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 129.267 3.027 . . . . 1.0 106.374 172.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -12.56 -64.25 0.01 OUTLIER Glycine 0 N--CA 1.48 1.599 0 C-N-CA 127.775 2.607 . . . . 1.0 116.496 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 134.78 -135.4 7.92 Favored Glycine 0 C--O 1.22 -0.742 0 C-N-CA 127.266 2.365 . . . . 1.0 110.068 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.409 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 57.3 t80 -33.25 -47.86 0.21 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.78 2.032 . . . . 1.0 114.468 -173.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 74' ' ' ASP . 11.2 t -62.41 -61.94 2.1 Favored 'General case' 0 N--CA 1.49 1.563 0 C-N-CA 127.559 2.344 . . . . 1.0 115.557 171.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.464 ' H ' HG23 ' A' ' 73' ' ' THR . 0.4 OUTLIER -63.99 -51.26 65.12 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 126.984 2.114 . . . . 1.0 112.421 178.805 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -53.96 -48.39 70.35 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 129.267 3.027 . . . . 1.0 113.625 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.25 -52.08 67.07 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-N 120.282 1.401 . . . . 1.0 111.895 172.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.78 -41.45 77.7 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 125.059 1.344 . . . . 1.0 114.378 173.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -63.65 -53.55 49.68 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 129.108 2.963 . . . . 1.0 112.974 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 52.2 t -54.0 -49.45 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 126.326 1.85 . . . . 1.0 111.04 172.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -54.03 -46.15 71.79 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 127.567 2.347 . . . . 1.0 113.371 172.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.91 -13.82 18.32 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 126.564 1.945 . . . . 1.0 114.358 171.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -101.01 -59.53 1.68 Allowed 'General case' 0 CA--C 1.555 1.166 0 C-N-CA 126.206 1.803 . . . . 1.0 114.445 171.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.7 mt -81.62 -29.81 33.11 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 127.619 2.367 . . . . 1.0 116.212 -172.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.84 -1.93 18.83 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 127.648 2.379 . . . . 1.0 113.214 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.346 0 C-N-CA 131.28 3.832 . . . . 1.0 114.497 -178.922 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.163 0 N-CA-C 107.843 -2.103 . . . . 1.0 107.843 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.05 107.66 6.54 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.612 1.965 . . . . 1.0 106.442 170.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 24.1 mp0 -137.31 170.13 16.61 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 126.183 1.793 . . . . 1.0 113.488 -171.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -132.34 140.57 48.6 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 126.835 2.054 . . . . 1.0 111.714 172.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.4 115.92 29.51 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.921 1.689 . . . . 1.0 111.258 -175.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -126.3 140.35 52.58 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.42 1.488 . . . . 1.0 114.981 -175.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -105.26 112.03 25.0 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 127.444 2.297 . . . . 1.0 113.029 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -64.94 146.19 55.31 Favored 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 125.482 1.513 . . . . 1.0 112.016 171.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.98 98.12 5.8 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.015 1.326 . . . . 1.0 112.96 176.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.2 p -75.82 -37.58 2.29 Favored Pre-proline 0 N--CA 1.484 1.243 0 CA-C-O 116.714 -1.612 . . . . 1.0 115.155 172.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -78.57 166.93 23.36 Favored 'Trans proline' 0 C--N 1.362 1.266 0 C-N-CA 122.803 2.335 . . . . 1.0 113.624 173.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 8.6 t -92.12 169.65 10.46 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.575 1.55 . . . . 1.0 112.351 171.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 5.6 tp -78.36 -2.86 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.372 0 C-N-CA 126.062 1.745 . . . . 1.0 114.934 -176.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -14.52 118.82 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 130.805 3.642 . . . . 1.0 115.039 172.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -97.5 97.34 9.0 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.174 -0.954 . . . . 1.0 111.135 -171.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -156.3 4.93 0.17 Allowed 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 120.586 3.551 . . . . 1.0 120.586 -171.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 137.05 22.54 0.51 Allowed Glycine 0 N--CA 1.485 1.934 1 N-CA-C 126.05 5.18 . . . . 1.0 126.05 171.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 15.8 p -47.92 111.13 0.39 Allowed 'General case' 0 N--CA 1.501 2.08 1 CA-C-N 124.451 4.126 . . . . 1.0 113.459 171.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -76.04 -9.39 58.58 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 119.459 3.133 . . . . 1.0 119.459 -171.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.1 t -128.06 -178.23 4.45 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.349 1.611 . . . . 1.0 115.349 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 160.74 0.07 0.07 OUTLIER Glycine 0 N--CA 1.486 2.033 0 N-CA-C 118.201 2.04 . . . . 1.0 118.201 176.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . 0.463 ' H ' ' HB ' ' A' ' 58' ' ' THR . . . 54.76 18.58 2.18 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 129.417 3.087 . . . . 1.0 117.64 172.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 36.4 t -73.46 146.83 44.68 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.887 2.475 . . . . 1.0 114.224 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt 177.06 179.15 0.23 Allowed 'General case' 0 N--CA 1.493 1.705 0 C-N-CA 127.745 2.418 . . . . 1.0 114.021 -171.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' A' ' 39' ' ' ARG . 5.8 tp . . . . . 0 N--CA 1.488 1.443 1 C-N-CA 131.885 4.074 . . . . 1.0 115.468 171.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 116.834 -1.555 . . . . 1.0 108.347 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.21 118.59 32.25 Favored 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 117.679 2.474 . . . . 1.0 117.679 -170.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 84.8 m -119.59 121.0 38.35 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 126.109 1.763 . . . . 1.0 113.029 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.48 124.33 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 C-N-CA 127.656 2.383 . . . . 1.0 111.291 -173.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -113.19 121.34 65.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 C-N-CA 125.641 1.576 . . . . 1.0 112.687 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -99.91 111.12 23.44 Favored 'General case' 0 CA--C 1.554 1.121 0 C-N-CA 126.087 1.755 . . . . 1.0 113.634 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.04 54.7 3.12 Favored Glycine 0 CA--C 1.54 1.605 0 N-CA-C 119.53 2.572 . . . . 1.0 119.53 169.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -65.32 -54.44 29.06 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-N 119.721 1.76 . . . . 1.0 113.325 171.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.9 m -62.39 92.49 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.319 2.648 . . . . 1.0 113.625 -169.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.46 -0.51 8.06 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 118.682 2.233 . . . . 1.0 118.682 172.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 p -141.37 116.91 7.2 Favored Pre-proline 0 CA--C 1.556 1.186 0 CA-C-N 120.509 2.155 . . . . 1.0 113.409 173.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -61.33 -27.74 83.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 C-N-CA 124.451 3.434 . . . . 1.0 115.66 -169.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 3.4 m-30 -68.67 -38.58 80.51 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 123.69 0.796 . . . . 1.0 111.456 174.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.5 t -68.99 -38.61 79.41 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.852 2.061 . . . . 1.0 113.201 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 40.7 t -53.25 -54.27 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 124.707 1.203 . . . . 1.0 111.626 170.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -57.54 -42.07 82.22 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.247 1.419 . . . . 1.0 111.469 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.32 -50.58 69.23 Favored 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 115.161 1.541 . . . . 1.0 115.161 171.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -53.5 50.81 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.026 1.331 . . . . 1.0 113.315 173.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -52.92 -41.95 64.94 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 126.981 2.112 . . . . 1.0 112.597 -178.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.25 -48.05 74.54 Favored 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 126.55 1.94 . . . . 1.0 113.883 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.94 -44.54 95.8 Favored 'General case' 0 CA--C 1.555 1.17 0 C-N-CA 124.893 1.277 . . . . 1.0 113.99 172.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -60.86 -41.85 96.7 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.313 1.445 . . . . 1.0 114.259 173.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -52.2 -52.17 53.79 Favored 'General case' 0 N--CA 1.488 1.431 0 C-N-CA 128.923 2.889 . . . . 1.0 110.947 169.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.08 -48.66 80.68 Favored 'General case' 0 CA--C 1.559 1.327 0 C-N-CA 126.507 1.923 . . . . 1.0 113.784 171.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 t -56.5 -36.38 69.1 Favored 'General case' 0 N--CA 1.49 1.566 0 C-N-CA 125.674 1.59 . . . . 1.0 114.76 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -42.42 75.09 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 127.398 2.279 . . . . 1.0 114.497 169.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -63.43 -26.24 68.64 Favored 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.464 1.906 . . . . 1.0 113.373 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -137.25 171.52 14.37 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 116.74 2.126 . . . . 1.0 116.74 -169.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -112.11 -1.03 15.43 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 127.286 2.234 . . . . 1.0 115.39 171.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 40.8 p-10 -85.26 -32.91 22.31 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.75 2.02 . . . . 1.0 114.769 173.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -95.97 104.65 16.6 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 129.106 2.962 . . . . 1.0 112.734 -170.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -95.8 133.16 40.26 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 130.278 3.431 . . . . 1.0 110.152 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 138.67 54.26 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.317 1.447 . . . . 1.0 114.474 -171.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -128.53 131.14 48.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.629 1.572 . . . . 1.0 111.823 175.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -109.2 126.64 53.49 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.648 1.579 . . . . 1.0 114.47 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 t -133.33 111.87 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 125.443 1.497 . . . . 1.0 112.761 174.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.488 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.291 0.0 OUTLIER -65.09 155.08 35.96 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 119.333 -2.104 . . . . 1.0 113.56 167.895 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.265 2.0 pp -110.92 -39.44 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 C-N-CA 124.608 1.163 . . . . 1.0 111.584 176.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -70.51 -26.82 63.77 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 126.218 1.807 . . . . 1.0 113.863 170.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.488 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -85.26 -57.16 3.19 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.521 1.528 . . . . 1.0 112.506 173.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.29 -20.92 65.9 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 117.13 2.27 . . . . 1.0 117.13 175.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 83.3 51.21 4.22 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 125.353 1.454 . . . . 1.0 114.318 -177.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mt -122.46 159.95 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 C-N-CA 128.964 2.906 . . . . 1.0 110.676 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -151.88 166.17 32.27 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.47 1.508 . . . . 1.0 114.41 -174.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -37.51 -45.1 0.71 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 129.129 2.972 . . . . 1.0 115.528 170.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 36.6 mp0 -61.1 -44.43 97.36 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 128.557 2.743 . . . . 1.0 111.606 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -64.8 -54.93 23.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.222 2.209 . . . . 1.0 111.359 171.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt -57.37 -45.1 84.77 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.799 2.04 . . . . 1.0 113.556 -175.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.568 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.9 pt20 -64.49 -36.71 85.08 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 115.018 1.488 . . . . 1.0 115.018 174.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -66.32 -53.28 38.29 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.543 1.065 . . . . 1.0 111.683 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -53.98 -44.12 70.55 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.918 1.687 . . . . 1.0 114.209 171.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -70.17 -25.57 63.51 Favored 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 117.021 2.23 . . . . 1.0 117.021 173.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.93 -39.27 0.79 Allowed Glycine 0 CA--C 1.548 2.129 0 C-N-CA 126.006 1.765 . . . . 1.0 114.166 -168.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -63.12 125.9 87.91 Favored Pre-proline 0 CA--C 1.551 0.983 0 C-N-CA 128.732 2.813 . . . . 1.0 110.559 171.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -64.51 105.39 0.61 Allowed 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 123.018 2.479 . . . . 1.0 110.714 170.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.568 HG22 ' HB3' ' A' ' 49' ' ' GLN . 10.3 m -100.69 144.33 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 125.384 1.474 . . . . 1.0 112.204 174.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -114.35 -35.64 4.9 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 126.382 1.873 . . . . 1.0 114.283 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 72.0 p -139.17 -177.3 4.85 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.953 2.101 . . . . 1.0 112.844 -171.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.87 162.32 50.24 Favored Pre-proline 0 N--CA 1.49 1.574 0 C-N-CA 127.599 2.36 . . . . 1.0 111.583 169.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.19 164.91 85.75 Favored 'Cis proline' 0 CA--C 1.544 1.008 0 CA-C-N 120.574 1.241 . . . . 1.0 114.04 -0.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -139.81 80.38 1.77 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.022 2.129 . . . . 1.0 111.1 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 81.0 mt -110.41 144.52 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 126.715 2.006 . . . . 1.0 112.433 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -115.96 141.8 47.63 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.485 1.514 . . . . 1.0 108.863 170.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.4 t -125.31 129.69 73.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 C-N-CA 126.091 1.756 . . . . 1.0 110.033 177.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.35 0.2 OUTLIER 35.47 41.94 0.11 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 128.068 2.547 . . . . 1.0 114.602 -169.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 83.32 2.63 0.99 Allowed 'General case' 0 CA--C 1.557 1.248 1 C-N-CA 132.879 4.471 . . . . 1.0 115.562 174.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -92.5 140.43 29.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 126.891 2.077 . . . . 1.0 111.308 176.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -61.23 129.2 40.09 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 121.226 -0.922 . . . . 1.0 110.873 169.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 33.7 mm -126.73 170.89 16.02 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.284 0 C-N-CA 129.416 3.087 . . . . 1.0 108.607 170.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.26 -73.31 0.78 Allowed Glycine 0 CA--C 1.538 1.5 0 O-C-N 119.054 -2.278 . . . . 1.0 112.195 169.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.52 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 136.3 -137.42 9.08 Favored Glycine 0 C--O 1.217 -0.931 0 C-N-CA 128.094 2.759 . . . . 1.0 109.869 -170.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -30.6 -61.12 0.18 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 127.483 2.313 . . . . 1.0 114.446 -175.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.6 t -44.92 -59.03 2.77 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 128.232 2.613 . . . . 1.0 115.578 170.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.52 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -70.4 -51.88 26.42 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 130.811 3.644 . . . . 1.0 111.673 -177.054 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -54.52 -46.39 73.54 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 130.716 3.606 . . . . 1.0 113.509 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.08 -53.81 53.9 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.536 1.534 . . . . 1.0 112.378 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.58 -44.22 76.71 Favored 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 125.289 1.436 . . . . 1.0 113.666 173.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 58.0 t90 -58.13 -52.71 64.4 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 127.32 2.248 . . . . 1.0 113.307 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 77.7 t -55.32 -50.96 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 C-N-CA 125.167 1.387 . . . . 1.0 112.001 170.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 ttpm? -49.75 -57.16 7.85 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 126.669 1.988 . . . . 1.0 112.595 177.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -11.26 3.0 Favored 'General case' 0 CA--C 1.559 1.302 0 N-CA-C 116.259 1.948 . . . . 1.0 116.259 172.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -93.8 -60.59 1.72 Allowed 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.209 -1.557 . . . . 1.0 111.449 169.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 33.1 mt -82.35 -55.71 4.34 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.624 2.369 . . . . 1.0 114.298 -171.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.09 4.69 25.24 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 128.643 2.777 . . . . 1.0 115.823 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 0.993 0 C-N-CA 131.271 3.828 . . . . 1.0 118.444 -168.161 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.134 0 N-CA-C 108.219 -1.952 . . . . 1.0 108.219 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.06 104.91 5.15 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.996 2.118 . . . . 1.0 107.89 168.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 25.6 mp0 -139.06 162.42 34.97 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 126.212 1.805 . . . . 1.0 113.322 -170.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -143.96 143.69 31.35 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.426 2.29 . . . . 1.0 113.78 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -108.5 98.18 7.74 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.508 1.923 . . . . 1.0 113.426 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -108.17 144.29 35.8 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 127.723 2.409 . . . . 1.0 113.869 177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -100.93 146.0 27.92 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.212 1.805 . . . . 1.0 113.304 -177.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -123.81 140.5 52.92 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 127.035 2.134 . . . . 1.0 111.941 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.92 103.04 5.04 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.915 1.286 . . . . 1.0 113.991 -171.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.0 p -70.95 -33.41 2.89 Favored Pre-proline 0 N--CA 1.486 1.346 0 CA-C-O 116.63 -1.652 . . . . 1.0 115.21 172.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -79.23 159.97 26.36 Favored 'Trans proline' 0 C--N 1.365 1.398 0 CA-C-N 123.485 2.28 . . . . 1.0 113.159 170.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 7.4 t -89.77 175.7 7.13 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.269 1.211 . . . . 1.0 114.269 -177.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 10.7 tt -80.06 41.02 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.419 0 C-N-CA 129.243 3.017 . . . . 1.0 115.672 -170.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -39.91 132.68 1.74 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 129.887 3.275 . . . . 1.0 114.938 176.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -120.29 95.26 4.67 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.822 1.249 . . . . 1.0 111.319 172.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -163.27 -93.47 0.02 OUTLIER 'General case' 0 CA--C 1.567 1.629 0 N-CA-C 115.056 1.502 . . . . 1.0 115.056 -171.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -91.54 15.39 61.55 Favored Glycine 0 N--CA 1.481 1.669 1 N-CA-C 123.476 4.15 . . . . 1.0 123.476 -167.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.4 t -58.83 115.34 3.03 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-N 121.471 2.635 . . . . 1.0 114.742 -175.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.41 -7.43 28.7 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 119.572 3.175 . . . . 1.0 119.572 -170.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.6 t -137.85 -166.96 2.05 Favored 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 126.366 1.866 . . . . 1.0 114.187 -174.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 154.8 3.08 0.11 Allowed Glycine 0 N--CA 1.488 2.138 0 C-N-CA 126.719 2.104 . . . . 1.0 117.613 173.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . 0.26 . . 51.27 19.36 0.74 Allowed 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 118.419 2.748 . . . . 1.0 118.419 168.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 5.1 t -72.29 159.51 33.93 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 128.965 2.906 . . . . 1.0 113.906 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -179.4 174.27 1.02 Allowed 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 128.052 2.541 . . . . 1.0 111.679 -168.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . 0.416 HG22 ' H ' ' B' ' 150' ' ' ILE . 4.7 tp . . . . . 0 N--CA 1.492 1.671 1 C-N-CA 132.7 4.4 . . . . 1.0 115.053 167.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.3 ttm . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 112.775 0.657 . . . . 1.0 112.775 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -113.48 123.32 49.75 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.378 1.871 . . . . 1.0 110.839 168.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.5 m -124.66 121.74 35.55 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 124.845 1.258 . . . . 1.0 113.845 175.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -112.16 126.58 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 C-N-CA 127.313 2.245 . . . . 1.0 111.812 -178.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.0 mp -118.45 124.42 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 126.616 1.966 . . . . 1.0 113.062 -171.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -106.73 103.69 13.19 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.032 2.133 . . . . 1.0 112.966 -171.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.24 54.91 3.4 Favored Glycine 0 CA--C 1.541 1.683 0 N-CA-C 118.098 1.999 . . . . 1.0 118.098 171.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -53.06 -27.59 20.74 Favored 'General case' 0 N--CA 1.5 2.058 0 C-N-CA 126.401 1.88 . . . . 1.0 115.3 172.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 t -63.82 126.13 26.62 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 128.606 2.763 . . . . 1.0 117.55 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.41 6.99 67.06 Favored Glycine 0 CA--C 1.543 1.801 0 C-N-CA 127.893 2.663 . . . . 1.0 118.979 170.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.8 p -141.45 120.71 8.15 Favored Pre-proline 0 CA--C 1.557 1.244 0 CA-C-N 120.034 1.917 . . . . 1.0 113.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -60.12 -32.09 94.17 Favored 'Trans proline' 0 C--N 1.36 1.133 0 C-N-CA 123.928 3.085 . . . . 1.0 114.158 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 86.3 m-85 -50.92 -50.77 56.86 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.86 2.064 . . . . 1.0 112.981 171.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.1 t -70.93 -40.12 72.25 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.372 1.869 . . . . 1.0 114.177 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 98.4 t -55.73 -54.53 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.258 0 CA-C-O 117.661 -1.162 . . . . 1.0 111.748 172.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.7 mtp85 -57.36 -43.74 83.78 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-N 119.476 1.034 . . . . 1.0 112.149 175.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.0 -46.71 75.21 Favored 'General case' 0 CA--C 1.559 1.317 0 N-CA-C 114.403 1.26 . . . . 1.0 114.403 174.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -55.0 20.56 Favored 'General case' 0 N--CA 1.492 1.66 0 C-N-CA 124.751 1.221 . . . . 1.0 113.51 170.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.6 -40.83 66.02 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.256 2.222 . . . . 1.0 112.587 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -55.58 -48.7 74.39 Favored 'General case' 0 CA--C 1.557 1.226 0 C-N-CA 126.153 1.781 . . . . 1.0 113.742 170.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.95 -44.41 92.89 Favored 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 125.844 1.658 . . . . 1.0 114.812 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -59.37 -44.08 92.78 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.066 1.346 . . . . 1.0 113.353 173.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -51.36 -53.37 36.94 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.94 2.496 . . . . 1.0 111.118 170.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.3 mt -57.98 -45.99 85.9 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.915 1.686 . . . . 1.0 113.173 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.7 t -62.06 -33.55 74.61 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 114.303 1.223 . . . . 1.0 114.303 172.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -68.38 -53.34 24.58 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 127.208 2.203 . . . . 1.0 113.028 170.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.73 -34.61 78.26 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 130.238 3.415 . . . . 1.0 114.69 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.8 mtp85 -118.56 158.93 24.48 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 127.431 2.292 . . . . 1.0 112.668 -171.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -90.39 -32.19 16.55 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 127.644 2.377 . . . . 1.0 113.893 170.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -34.46 78.27 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 129.017 2.927 . . . . 1.0 114.679 -176.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -95.56 117.93 31.33 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 128.97 2.908 . . . . 1.0 116.566 -167.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.17 135.12 54.16 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 128.845 2.858 . . . . 1.0 114.149 172.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -117.74 138.62 51.91 Favored 'General case' 0 CA--C 1.555 1.141 0 C-N-CA 128.027 2.531 . . . . 1.0 114.313 -172.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -128.45 132.29 48.42 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 127.541 2.336 . . . . 1.0 111.187 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -112.69 125.78 54.68 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.468 1.907 . . . . 1.0 112.482 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 59.8 t -121.68 112.57 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 127.668 2.387 . . . . 1.0 111.893 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.09 70.17 2.04 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 116.215 1.931 . . . . 1.0 116.215 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -55.23 -38.62 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 118.525 -2.609 . . . . 1.0 112.241 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -70.53 -3.86 20.1 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 129.309 3.044 . . . . 1.0 115.205 173.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.51 -41.91 1.99 Allowed 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 125.084 1.353 . . . . 1.0 113.338 172.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -61.03 -20.73 62.88 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 129.221 3.008 . . . . 1.0 114.433 171.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.2 30.64 6.22 Favored Glycine 0 N--CA 1.484 1.857 0 C-N-CA 127.428 2.442 . . . . 1.0 116.551 170.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.9 mt -118.22 151.5 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.241 0 C-N-CA 129.005 2.922 . . . . 1.0 111.453 -170.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 t -134.39 169.62 16.97 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 115.394 1.627 . . . . 1.0 115.394 -169.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.55 -41.95 22.48 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 128.73 2.812 . . . . 1.0 114.044 171.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.7 mp0 -60.54 -38.8 85.62 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 127.503 2.321 . . . . 1.0 112.608 176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -69.75 -55.12 10.76 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.385 1.474 . . . . 1.0 111.154 169.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.0 mt -53.38 -40.28 64.88 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.283 1.833 . . . . 1.0 113.879 -174.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.664 ' HB3' HG22 ' A' ' 56' ' ' VAL . 5.6 pt20 -59.25 -48.22 82.43 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 119.86 1.209 . . . . 1.0 114.153 171.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -64.74 -48.22 75.37 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.942 1.697 . . . . 1.0 111.913 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.89 -37.5 71.48 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 128.307 2.643 . . . . 1.0 113.81 174.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.5 -23.0 50.35 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 127.674 2.39 . . . . 1.0 115.256 169.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 69.52 18.19 73.44 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.441 1.496 . . . . 1.0 114.354 -170.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.2 tptp -134.58 129.37 19.45 Favored Pre-proline 0 N--CA 1.488 1.474 0 C-N-CA 131.266 3.826 . . . . 1.0 110.152 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -59.58 120.8 8.84 Favored 'Trans proline' 0 CA--C 1.547 1.165 0 C-N-CA 122.519 2.146 . . . . 1.0 111.447 171.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.664 HG22 ' HB3' ' A' ' 49' ' ' GLN . 19.7 m -125.93 145.15 33.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 126.479 1.911 . . . . 1.0 112.842 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -119.07 -33.38 4.18 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.69 1.996 . . . . 1.0 114.132 178.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.7 p -136.9 179.42 6.39 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 128.547 2.739 . . . . 1.0 114.385 -170.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.85 160.53 63.49 Favored Pre-proline 0 N--CA 1.491 1.624 0 C-N-CA 124.895 1.278 . . . . 1.0 110.813 168.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -71.85 166.7 78.36 Favored 'Cis proline' 0 CA--C 1.549 1.269 0 N-CA-C 114.993 1.113 . . . . 1.0 114.993 -0.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -139.2 85.13 2.04 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.984 2.114 . . . . 1.0 111.559 177.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.4 mt -119.66 153.14 22.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 127.941 2.497 . . . . 1.0 113.331 178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -128.35 113.73 15.97 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.988 2.115 . . . . 1.0 109.705 171.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 26.6 t -97.69 146.51 7.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 C-N-CA 125.533 1.533 . . . . 1.0 109.906 172.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.284 1.4 p30 52.96 6.69 0.06 Allowed 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 128.461 2.704 . . . . 1.0 117.454 -177.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 95.76 9.37 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.555 1 C-N-CA 133.147 4.579 . . . . 1.0 115.317 -171.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -112.09 148.8 33.15 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 127.645 2.378 . . . . 1.0 112.778 171.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 -62.11 111.8 2.1 Favored 'General case' 0 N--CA 1.486 1.359 0 O-C-N 120.187 -1.57 . . . . 1.0 112.583 173.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.9 mm -123.35 104.89 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 128.328 2.651 . . . . 1.0 105.405 170.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -17.3 -64.52 0.01 OUTLIER Glycine 0 N--CA 1.477 1.378 0 C-N-CA 128.725 3.06 . . . . 1.0 116.708 -170.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.63 -137.61 9.53 Favored Glycine 0 C--O 1.218 -0.901 0 C-N-CA 127.584 2.516 . . . . 1.0 111.336 -178.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -29.93 -54.26 0.16 Allowed 'General case' 0 N--CA 1.489 1.479 0 C-N-CA 127.347 2.259 . . . . 1.0 115.085 -178.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 t -67.54 -40.42 85.0 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 117.55 2.426 . . . . 1.0 117.55 175.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -72.56 -60.68 2.11 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 127.281 2.232 . . . . 1.0 112.01 170.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -55.28 -39.55 69.99 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.322 3.049 . . . . 1.0 114.931 -175.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.04 85.48 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 119.225 0.921 . . . . 1.0 113.132 170.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.34 -43.43 79.05 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 124.328 1.051 . . . . 1.0 112.214 170.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 57.6 t90 -58.18 -51.36 70.05 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 125.311 1.445 . . . . 1.0 112.45 169.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 52.5 t -50.3 -44.15 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 120.428 -1.42 . . . . 1.0 112.588 170.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttt -60.62 -43.86 97.0 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-N 119.862 1.21 . . . . 1.0 112.772 170.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -59.98 -12.05 7.11 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 127.594 2.358 . . . . 1.0 115.185 169.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -101.95 -60.98 1.44 Allowed 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 127.229 2.212 . . . . 1.0 112.564 169.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.6 mt -81.77 -52.54 7.02 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.622 1.969 . . . . 1.0 114.456 -171.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -83.73 -4.69 58.83 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.851 2.06 . . . . 1.0 115.809 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.141 1 C-N-CA 132.5 4.32 . . . . 1.0 117.866 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.21 0 N-CA-C 108.055 -2.018 . . . . 1.0 108.055 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.77 104.4 5.08 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.272 1.829 . . . . 1.0 107.172 168.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -139.35 172.25 13.09 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 127.959 2.503 . . . . 1.0 112.539 -171.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -97.37 111.2 23.55 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.174 1.389 . . . . 1.0 111.437 170.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -122.02 102.25 8.04 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 126.785 2.034 . . . . 1.0 110.787 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -127.08 130.56 50.13 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.509 1.924 . . . . 1.0 113.063 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -99.3 87.4 3.63 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.636 1.974 . . . . 1.0 113.242 -171.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -63.85 170.01 3.75 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 126.222 1.809 . . . . 1.0 114.99 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.589 ' H ' HD13 ' B' ' 134' ' ' LEU 0.275 0.0 OUTLIER -50.1 94.32 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.475 0 N-CA-C 116.28 1.955 . . . . 1.0 116.28 -169.657 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . 0.606 ' H ' ' HD2' ' B' ' 136' ' ' PRO . 32.6 m -129.4 -29.46 0.04 OUTLIER Pre-proline 0 N--CA 1.485 1.285 0 C-N-CA 129.594 3.158 . . . . 1.0 115.648 176.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . 0.606 ' HD2' ' H ' ' B' ' 135' ' ' VAL . 84.1 Cg_endo -74.2 -28.46 10.68 Favored 'Trans proline' 0 C--N 1.363 1.333 0 CA-C-N 123.505 2.288 . . . . 1.0 113.333 170.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 73.3 m -153.32 106.19 2.94 Favored 'General case' 0 N--CA 1.485 1.286 0 N-CA-C 114.589 1.329 . . . . 1.0 114.589 174.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 11.5 tt -83.41 17.92 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 C-N-CA 129.162 2.985 . . . . 1.0 115.882 174.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -50.13 125.12 11.55 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 127.964 2.505 . . . . 1.0 113.423 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 49.4 p-10 -120.07 94.83 4.52 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 125.217 1.407 . . . . 1.0 113.961 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.268 34.2 p30 -155.33 9.04 0.29 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 119.791 3.256 . . . . 1.0 119.791 176.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 177.12 75.16 0.05 OUTLIER Glycine 0 N--CA 1.48 1.62 0 CA-C-N 120.003 1.274 . . . . 1.0 115.616 174.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 2.4 t -131.17 94.08 3.5 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 125.416 1.487 . . . . 1.0 113.179 -176.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -79.64 14.79 1.54 Allowed 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 118.36 2.726 . . . . 1.0 118.36 -170.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.0 t -126.3 174.47 8.54 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 116.04 1.867 . . . . 1.0 116.04 -173.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 141.68 -11.85 2.67 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 129.99 3.662 . . . . 1.0 116.19 171.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.96 15.42 0.25 Allowed 'General case' 0 N--CA 1.496 1.862 0 C-N-CA 127.647 2.379 . . . . 1.0 117.276 175.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 25.0 t -71.26 127.91 34.14 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.687 1.995 . . . . 1.0 114.661 -169.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.89 174.16 0.93 Allowed 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 130.636 3.574 . . . . 1.0 112.787 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 5.6 tp . . . . . 0 N--CA 1.49 1.571 0 C-N-CA 128.874 2.869 . . . . 1.0 114.599 173.136 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.9 mmm . . . . . 0 N--CA 1.489 1.489 0 CA-C-O 119.178 -0.439 . . . . 1.0 110.723 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -109.01 124.78 51.27 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 127.365 2.266 . . . . 1.0 114.519 -179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.7 m -123.22 117.21 24.79 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 124.671 1.188 . . . . 1.0 112.415 170.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.0 t -110.51 132.8 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 C-N-CA 126.919 2.088 . . . . 1.0 111.289 -176.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.2 mp -121.52 126.72 75.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 125.939 1.696 . . . . 1.0 113.277 -171.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -102.45 109.6 21.3 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 127.725 2.41 . . . . 1.0 112.957 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.54 60.44 2.64 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 128.111 2.767 . . . . 1.0 119.681 169.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.447 ' H ' ' HE1' ' A' ' 35' ' ' TYR . 11.1 ttt180 -60.17 -45.22 93.85 Favored 'General case' 0 N--CA 1.502 2.147 0 CA-C-N 119.815 1.808 . . . . 1.0 110.781 169.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.6 m -61.27 110.88 1.53 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.718 2.807 . . . . 1.0 112.353 -172.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.04 -12.44 49.07 Favored Glycine 0 CA--C 1.541 1.695 0 N-CA-C 118.941 2.337 . . . . 1.0 118.941 170.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.5 p -134.82 126.21 17.76 Favored Pre-proline 0 CA--C 1.56 1.355 0 CA-C-N 120.838 2.319 . . . . 1.0 115.431 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.05 -32.52 27.85 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.569 3.513 . . . . 1.0 116.92 -169.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -70.36 -37.5 74.62 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 120.74 1.609 . . . . 1.0 111.45 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -61.42 -40.14 93.33 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.405 1.482 . . . . 1.0 113.249 169.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 44.4 t -55.68 -54.94 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 123.764 0.826 . . . . 1.0 110.777 170.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -58.82 -42.23 88.71 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 125.04 1.336 . . . . 1.0 111.759 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.17 -52.54 58.48 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 126.345 1.858 . . . . 1.0 114.693 171.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.41 -51.73 61.74 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 125.072 1.349 . . . . 1.0 113.201 173.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -49.97 -43.11 50.02 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 127.334 2.254 . . . . 1.0 112.896 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.8 mp -52.26 -55.67 19.73 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.616 1.967 . . . . 1.0 113.386 169.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.94 -43.74 98.22 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 125.638 1.575 . . . . 1.0 113.96 176.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -56.32 -48.53 76.54 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.287 1.835 . . . . 1.0 113.031 171.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -55.91 -43.57 77.45 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 127.992 2.517 . . . . 1.0 113.079 169.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.02 -46.47 89.05 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 126.407 1.883 . . . . 1.0 113.343 171.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -60.89 -32.29 71.75 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.568 1.547 . . . . 1.0 114.132 171.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -69.05 -42.94 75.63 Favored 'General case' 0 CA--C 1.559 1.307 0 C-N-CA 125.898 1.679 . . . . 1.0 112.362 168.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -68.49 -22.9 64.52 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 127.851 2.46 . . . . 1.0 114.965 -177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -138.22 170.34 16.2 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 117.791 2.515 . . . . 1.0 117.791 -170.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -116.38 18.24 15.26 Favored 'General case' 0 CA--C 1.564 1.485 0 C-N-CA 128.292 2.637 . . . . 1.0 115.254 173.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -112.14 -30.01 7.38 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 128.809 2.844 . . . . 1.0 114.732 175.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -97.22 108.19 20.87 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 129.888 3.275 . . . . 1.0 113.865 -170.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.62 121.16 37.03 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 129.373 3.069 . . . . 1.0 108.531 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -110.64 138.38 47.1 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.605 1.162 . . . . 1.0 113.407 177.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -127.57 131.03 50.05 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.25 1.42 . . . . 1.0 111.181 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.447 ' HE1' ' H ' ' A' ' 8' ' ' ARG . 44.6 t80 -110.9 126.04 54.29 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.23 1.412 . . . . 1.0 114.786 -177.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.52 117.53 18.37 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 127.02 2.128 . . . . 1.0 111.376 -177.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.305 0.0 OUTLIER -74.12 158.56 33.98 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 119.452 -2.03 . . . . 1.0 116.057 168.317 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.281 2.1 pp -121.33 -49.48 3.0 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 125.802 1.641 . . . . 1.0 112.276 178.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -63.91 -35.22 79.96 Favored 'General case' 0 N--CA 1.494 1.752 0 C-N-CA 125.549 1.54 . . . . 1.0 114.052 171.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.43 -32.48 24.07 Favored 'General case' 0 CA--C 1.56 1.356 0 N-CA-C 115.639 1.718 . . . . 1.0 115.639 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -83.43 -34.61 25.43 Favored 'General case' 0 N--CA 1.485 1.285 0 N-CA-C 115.65 1.722 . . . . 1.0 115.65 171.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 105.03 56.01 0.71 Allowed Glycine 0 CA--C 1.544 1.863 0 C-N-CA 126.677 2.084 . . . . 1.0 114.342 -178.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.9 mt -134.82 155.98 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 128.975 2.91 . . . . 1.0 110.657 -177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -146.09 166.93 24.66 Favored 'General case' 0 N--CA 1.486 1.325 0 N-CA-C 115.729 1.752 . . . . 1.0 115.729 -170.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -39.55 -47.32 1.89 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 129.131 2.972 . . . . 1.0 114.054 170.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -59.88 -34.84 73.69 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 127.998 2.519 . . . . 1.0 112.55 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -73.98 -55.47 6.11 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 127.354 2.262 . . . . 1.0 111.254 170.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -57.61 -44.73 85.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.207 2.203 . . . . 1.0 113.692 -172.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.586 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.9 pt20 -59.08 -35.42 73.36 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-N 120.303 1.41 . . . . 1.0 114.033 174.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -69.86 -47.5 62.38 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.192 1.397 . . . . 1.0 111.972 178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -65.17 -26.56 68.21 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 127.121 2.168 . . . . 1.0 115.283 170.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.57 -35.6 20.95 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 127.162 2.185 . . . . 1.0 116.422 175.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.76 -31.98 2.98 Favored Glycine 0 CA--C 1.547 2.084 0 C-N-CA 126.534 2.016 . . . . 1.0 115.178 -169.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -69.48 126.93 92.95 Favored Pre-proline 0 N--CA 1.481 1.089 0 C-N-CA 127.165 2.186 . . . . 1.0 109.383 169.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -69.64 85.43 0.6 Allowed 'Trans proline' 0 CA--C 1.548 1.196 0 C-N-CA 123.458 2.772 . . . . 1.0 110.783 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.586 HG22 ' HB3' ' A' ' 49' ' ' GLN . 16.7 m -78.56 149.66 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.943 1.297 . . . . 1.0 112.649 177.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -122.04 -38.77 2.67 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.535 1.934 . . . . 1.0 113.096 178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 52.6 p -131.96 -176.23 3.99 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 127.491 2.316 . . . . 1.0 113.19 -177.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -82.13 164.95 45.79 Favored Pre-proline 0 N--CA 1.493 1.72 0 C-N-CA 126.93 2.092 . . . . 1.0 112.059 169.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -69.97 168.36 68.5 Favored 'Cis proline' 0 CA--C 1.547 1.16 0 CA-C-N 120.236 1.12 . . . . 1.0 114.374 -4.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -138.71 83.81 1.98 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.257 2.223 . . . . 1.0 112.529 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.6 mt -116.52 153.66 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 128.872 2.869 . . . . 1.0 113.67 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -132.32 132.58 43.08 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.545 2.338 . . . . 1.0 110.084 176.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.2 t -112.44 134.15 55.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 126.55 1.94 . . . . 1.0 109.986 172.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.324 0.1 OUTLIER 34.97 45.7 0.17 Allowed 'General case' 0 CA--C 1.557 1.246 0 C-N-CA 128.776 2.83 . . . . 1.0 113.622 -169.323 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 73.81 1.98 4.09 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 130.48 3.512 . . . . 1.0 117.487 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -94.79 139.52 31.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.709 2.404 . . . . 1.0 111.108 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -61.39 123.21 17.17 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 120.241 -1.537 . . . . 1.0 112.313 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.7 mm -134.65 93.42 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 130.016 3.326 . . . . 1.0 106.291 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -14.01 -57.55 0.01 OUTLIER Glycine 0 N--CA 1.482 1.736 0 C-N-CA 128.886 3.136 . . . . 1.0 118.514 -170.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.21 -143.38 14.81 Favored Glycine 0 N--CA 1.471 1.025 0 C-N-CA 128.168 2.794 . . . . 1.0 112.037 -176.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -30.05 -60.64 0.17 Allowed 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 127.996 2.518 . . . . 1.0 112.993 -172.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 t -49.78 -59.79 3.5 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 127.352 2.261 . . . . 1.0 117.028 170.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.47 -48.24 50.5 Favored 'General case' 0 CA--C 1.562 1.43 0 C-N-CA 130.611 3.564 . . . . 1.0 111.935 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -56.69 -45.09 81.99 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 131.159 3.783 . . . . 1.0 113.127 170.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.17 -49.55 75.62 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-O 117.673 -1.156 . . . . 1.0 112.794 171.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.71 -44.48 81.6 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 124.452 1.101 . . . . 1.0 112.93 172.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 56.5 t90 -55.87 -56.01 25.67 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 125.226 1.41 . . . . 1.0 112.974 171.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.47 -45.33 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 C-N-CA 125.95 1.7 . . . . 1.0 113.005 174.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.98 -60.46 3.3 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 126.573 1.949 . . . . 1.0 111.461 173.465 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . 0.252 0.9 OUTLIER -59.5 -10.1 3.07 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 125.916 1.686 . . . . 1.0 115.387 175.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -90.57 -57.01 2.97 Favored 'General case' 0 CA--C 1.562 1.404 0 C-N-CA 127.128 2.171 . . . . 1.0 111.444 168.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 32.8 mt -87.68 -57.07 3.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 128.194 2.597 . . . . 1.0 114.391 -172.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -69.01 5.9 1.05 Allowed 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 127.311 2.244 . . . . 1.0 113.491 168.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.264 1.817 0 C-N-CA 129.103 2.961 . . . . 1.0 115.241 -176.632 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.108 0 N-CA-C 108.025 -2.03 . . . . 1.0 108.025 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.18 104.46 5.21 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.979 1.712 . . . . 1.0 107.449 168.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -139.29 171.33 14.44 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 127.055 2.142 . . . . 1.0 113.135 -171.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -139.81 143.08 36.68 Favored 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 126.435 1.894 . . . . 1.0 111.923 171.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -105.14 90.63 3.5 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 126.555 1.942 . . . . 1.0 112.44 -172.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -105.11 143.28 33.51 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 126.751 2.02 . . . . 1.0 113.538 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -105.3 85.86 2.33 Favored 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 125.834 1.654 . . . . 1.0 113.549 -170.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -64.33 143.2 58.07 Favored 'General case' 0 CA--C 1.556 1.192 0 C-N-CA 127.886 2.474 . . . . 1.0 112.854 173.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -148.28 142.82 26.46 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.791 1.636 . . . . 1.0 114.99 -173.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -104.1 -25.36 0.2 Allowed Pre-proline 0 N--CA 1.492 1.645 0 C-N-CA 128.249 2.62 . . . . 1.0 117.043 171.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -78.01 173.19 14.35 Favored 'Trans proline' 0 CA--C 1.554 1.486 0 C-N-CA 123.777 2.984 . . . . 1.0 114.798 177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 30.4 t -93.93 167.59 11.51 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.707 2.803 . . . . 1.0 114.028 -178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 16.1 tt -77.26 -5.03 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.024 0 C-N-CA 127.153 2.181 . . . . 1.0 115.393 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 6.86 102.97 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.393 1 C-N-CA 132.59 4.356 . . . . 1.0 117.399 169.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.41 95.42 7.65 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.619 1.568 . . . . 1.0 110.771 171.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.308 0.7 OUTLIER -142.3 -91.15 0.13 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.141 1.776 . . . . 1.0 110.041 -178.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -147.66 69.87 0.35 Allowed Glycine 0 CA--C 1.546 1.98 0 N-CA-C 119.123 2.409 . . . . 1.0 119.123 -170.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 1.3 t -65.17 139.03 58.63 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.612 1.338 . . . . 1.0 114.612 171.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.18 -15.12 19.04 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 120.77 3.619 . . . . 1.0 120.77 -168.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 6.1 t -141.23 -164.03 1.67 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 114.754 1.39 . . . . 1.0 114.754 -172.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 151.58 3.85 0.19 Allowed Glycine 0 N--CA 1.479 1.541 0 C-N-CA 127.01 2.243 . . . . 1.0 117.466 170.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.81 16.64 0.34 Allowed 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 128.71 2.804 . . . . 1.0 117.899 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.45 143.65 48.39 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 129.698 3.199 . . . . 1.0 113.152 -174.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.87 171.69 1.07 Allowed 'General case' 0 N--CA 1.495 1.797 0 C-N-CA 128.1 2.56 . . . . 1.0 112.321 -169.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.497 1.877 0 C-N-CA 128.339 2.656 . . . . 1.0 115.016 169.828 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 121.699 0.761 . . . . 1.0 110.147 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -112.37 121.14 44.03 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 127.809 2.444 . . . . 1.0 111.342 172.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 98.3 m -114.84 114.49 25.6 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 124.817 1.247 . . . . 1.0 109.673 179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.8 t -110.08 122.42 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 126.619 1.968 . . . . 1.0 109.783 -171.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.415 HD13 ' HG2' ' A' ' 18' ' ' LYS . 2.0 mp -108.77 123.24 64.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 127.132 2.173 . . . . 1.0 112.545 -171.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.498 ' HB3' HG21 ' A' ' 38' ' ' ILE . 98.0 m-85 -106.45 107.12 17.97 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.952 1.701 . . . . 1.0 111.875 -177.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.17 58.52 2.31 Favored Glycine 0 N--CA 1.475 1.292 0 N-CA-C 118.279 2.071 . . . . 1.0 118.279 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 35' ' ' TYR . 28.9 ttt180 -53.66 -56.1 20.2 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 126.543 1.937 . . . . 1.0 110.687 171.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -66.5 123.63 20.56 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 127.778 2.431 . . . . 1.0 113.533 174.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 135.18 -93.36 0.24 Allowed Glycine 0 CA--C 1.538 1.475 0 C-N-CA 128.294 2.854 . . . . 1.0 111.511 -176.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 13.0 p -81.73 154.18 70.67 Favored Pre-proline 0 CA--C 1.56 1.335 0 C-N-CA 129.24 3.016 . . . . 1.0 116.548 174.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -77.42 -39.8 0.51 Allowed 'Trans proline' 0 CA--C 1.545 1.065 0 C-N-CA 123.869 3.046 . . . . 1.0 115.627 -177.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' B' ' 143' ' ' SER . 5.7 m-30 -62.23 -38.1 87.92 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-N 121.352 1.887 . . . . 1.0 111.696 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.46 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.2 t -52.63 -45.08 66.5 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 124.785 1.234 . . . . 1.0 112.902 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.63 -52.24 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-O 118.531 -0.747 . . . . 1.0 110.908 171.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -56.88 -41.26 77.73 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.151 1.38 . . . . 1.0 111.297 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HB2' ' HB2' ' A' ' 72' ' ' TYR . . . -61.26 -46.15 91.54 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 128.481 2.713 . . . . 1.0 113.517 172.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' HG2' HD13 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -60.4 -56.55 20.02 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.671 1.588 . . . . 1.0 111.648 172.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.81 -42.57 36.51 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 128.467 2.707 . . . . 1.0 112.516 172.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mp -60.43 -46.38 90.23 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 125.99 1.716 . . . . 1.0 112.549 171.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.87 98.18 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 119.476 1.034 . . . . 1.0 112.527 171.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -59.46 -43.65 93.15 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.237 1.015 . . . . 1.0 112.594 171.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -53.61 -50.13 66.33 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.435 1.894 . . . . 1.0 110.939 172.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -44.34 89.46 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.676 1.59 . . . . 1.0 114.65 172.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.3 t -63.36 -38.08 89.78 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.906 1.282 . . . . 1.0 113.994 172.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.6 t30 -65.7 -45.75 81.58 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 125.998 1.719 . . . . 1.0 110.707 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -66.19 -35.93 81.75 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 129.232 3.013 . . . . 1.0 115.194 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.2 mtm180 -130.01 151.24 50.78 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 126.318 1.847 . . . . 1.0 115.131 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -78.38 -30.89 48.15 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 129.358 3.063 . . . . 1.0 114.332 172.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -65.23 -30.38 71.27 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 130.292 3.437 . . . . 1.0 115.451 172.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -97.55 117.3 31.51 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-O 123.718 1.723 . . . . 1.0 115.141 -170.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -109.66 132.13 54.43 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 129.027 2.931 . . . . 1.0 110.966 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.28 135.94 54.82 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 125.991 1.716 . . . . 1.0 113.945 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.92 133.94 47.16 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 125.957 1.703 . . . . 1.0 111.227 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 8' ' ' ARG . 15.9 t80 -116.87 123.75 47.81 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 114.813 1.412 . . . . 1.0 114.813 -176.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.9 t -120.52 113.9 41.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 C-N-CA 128.253 2.621 . . . . 1.0 112.165 -176.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.284 0.0 OUTLIER -77.1 82.76 3.61 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 120.212 -1.555 . . . . 1.0 114.938 176.274 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.498 HG21 ' HB3' ' A' ' 6' ' ' PHE . 2.3 pp -61.98 -38.72 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 118.601 -2.562 . . . . 1.0 111.874 176.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -6.0 24.89 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 129.279 3.032 . . . . 1.0 113.545 175.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -128.41 -46.27 1.33 Allowed 'General case' 0 CA--C 1.558 1.284 0 N-CA-C 114.849 1.425 . . . . 1.0 114.849 173.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.51 -10.64 18.8 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 128.547 2.739 . . . . 1.0 115.365 173.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.01 51.65 2.05 Favored Glycine 0 N--CA 1.483 1.803 0 C-N-CA 126.194 1.854 . . . . 1.0 115.916 171.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 10.0 mt -142.38 156.3 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 126.374 1.869 . . . . 1.0 109.998 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -151.11 168.05 25.84 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 126.249 1.819 . . . . 1.0 113.658 -171.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -53.49 -25.76 17.77 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.829 1.418 . . . . 1.0 114.829 172.135 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -68.28 -30.65 69.71 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 126.248 1.819 . . . . 1.0 112.508 171.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -84.88 -52.74 5.79 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 128.068 2.547 . . . . 1.0 111.039 171.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.9 mt -54.31 -35.67 62.9 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.981 1.712 . . . . 1.0 113.272 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.716 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.8 pt20 -60.59 -40.43 91.72 Favored 'General case' 0 N--CA 1.486 1.332 0 CA-C-N 120.194 1.361 . . . . 1.0 112.836 171.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -70.01 -39.65 75.71 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 127.593 2.357 . . . . 1.0 112.273 174.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -66.77 -37.14 84.0 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 125.258 1.423 . . . . 1.0 113.987 171.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.58 -17.24 52.02 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.891 2.476 . . . . 1.0 116.44 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 61.2 17.04 51.27 Favored Glycine 0 CA--C 1.549 2.214 0 CA-C-N 119.8 1.182 . . . . 1.0 113.54 -171.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -126.01 131.7 24.07 Favored Pre-proline 0 N--CA 1.478 0.965 0 C-N-CA 130.402 3.481 . . . . 1.0 111.592 -171.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.38 79.08 1.17 Allowed 'Trans proline' 0 CA--C 1.549 1.226 0 C-N-CA 123.927 3.085 . . . . 1.0 113.06 177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.716 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.7 m -83.83 157.34 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 C-N-CA 124.63 1.172 . . . . 1.0 112.438 172.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -140.2 -11.01 1.1 Allowed 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.203 1.801 . . . . 1.0 114.32 174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.7 p -147.83 175.95 10.53 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 129.32 3.048 . . . . 1.0 113.228 -171.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -87.81 167.96 18.57 Favored Pre-proline 0 N--CA 1.484 1.269 0 C-N-CA 127.467 2.307 . . . . 1.0 111.875 171.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -65.81 166.13 56.33 Favored 'Cis proline' 0 CA--C 1.549 1.253 0 CA-C-N 119.19 0.746 . . . . 1.0 113.111 -8.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.519 HE22 HG11 ' A' ' 56' ' ' VAL . 90.3 mm-40 -135.01 76.26 1.62 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 127.266 2.226 . . . . 1.0 110.33 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 27.4 mt -108.4 150.77 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 127.988 2.515 . . . . 1.0 113.924 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -130.23 105.12 7.7 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 128.358 2.663 . . . . 1.0 109.603 178.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.2 t -90.72 134.49 29.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.763 1.625 . . . . 1.0 108.919 176.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.259 4.2 m-20 37.11 46.66 0.56 Allowed 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 129.907 3.283 . . . . 1.0 112.353 -171.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.326 1.8 tt0 46.68 51.5 12.15 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 131.011 3.724 . . . . 1.0 115.696 -172.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -143.77 136.56 27.32 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 130.914 3.686 . . . . 1.0 108.568 171.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 66.7 t-80 -60.63 115.21 3.45 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 120.345 -1.472 . . . . 1.0 114.521 -176.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.7 mm -128.73 97.78 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 128.687 2.795 . . . . 1.0 104.928 171.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -13.41 -61.62 0.01 OUTLIER Glycine 0 N--CA 1.473 1.109 0 C-N-CA 129.046 3.213 . . . . 1.0 116.2 -173.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.18 -149.87 19.51 Favored Glycine 0 C--O 1.224 -0.529 0 C-N-CA 126.813 2.149 . . . . 1.0 108.702 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 17' ' ' ALA . 0.4 OUTLIER -35.36 -53.05 0.64 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 125.915 1.686 . . . . 1.0 111.94 -171.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.0 t -48.64 -57.64 5.94 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 116.01 1.856 . . . . 1.0 116.01 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.1 -53.6 42.97 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.098 2.559 . . . . 1.0 111.975 172.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -49.64 -43.61 47.0 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 128.985 2.914 . . . . 1.0 114.59 175.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.71 -46.33 79.37 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.881 2.072 . . . . 1.0 112.802 174.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.94 97.78 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 124.819 1.248 . . . . 1.0 112.881 172.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 30.9 t90 -60.71 -54.32 46.69 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.526 2.33 . . . . 1.0 113.418 172.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.7 t -52.65 -49.39 45.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 125.763 1.625 . . . . 1.0 111.416 172.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -50.32 68.87 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 126.02 1.728 . . . . 1.0 113.223 172.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -60.71 -14.43 20.97 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 126.872 2.069 . . . . 1.0 115.625 171.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -99.74 -59.87 1.64 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 127.203 2.201 . . . . 1.0 113.756 172.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 17.5 mt -74.48 -64.04 1.11 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.505 2.322 . . . . 1.0 112.979 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -70.33 6.14 1.46 Allowed 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 127.017 2.127 . . . . 1.0 114.747 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 129.44 3.096 . . . . 1.0 115.369 -178.624 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.109 0 N-CA-C 107.703 -2.159 . . . . 1.0 107.703 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.89 107.61 6.59 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.293 2.237 . . . . 1.0 106.085 171.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -137.4 119.38 15.37 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.189 1.396 . . . . 1.0 112.152 -172.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -100.17 98.62 9.3 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.858 1.263 . . . . 1.0 110.93 -173.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.59 100.34 11.57 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.901 2.08 . . . . 1.0 111.505 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -107.73 139.97 41.5 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.14 1.776 . . . . 1.0 113.109 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -100.1 117.37 34.21 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 127.126 2.171 . . . . 1.0 113.172 -171.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -60.51 161.71 7.23 Favored 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 124.539 1.136 . . . . 1.0 111.561 171.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -118.61 97.44 5.74 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 120.509 -1.37 . . . . 1.0 113.611 -173.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 78.9 t -77.38 -39.05 1.97 Allowed Pre-proline 0 CA--C 1.552 1.051 0 C-N-CA 128.789 2.836 . . . . 1.0 113.869 171.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.28 77.61 2.03 Favored 'Trans proline' 0 C--N 1.369 1.608 0 C-N-CA 124.535 3.49 . . . . 1.0 114.184 -172.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 34.6 t -91.58 135.64 33.72 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 128.351 2.66 . . . . 1.0 114.982 -172.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 35.8 pt -78.6 -4.33 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.294 0 C-N-CA 127.72 2.408 . . . . 1.0 115.266 173.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.27 133.01 46.58 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 128.289 2.635 . . . . 1.0 111.746 171.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.87 97.81 9.28 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-O 123.06 1.409 . . . . 1.0 110.7 -172.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.326 3.6 t70 -165.43 -156.51 0.29 Allowed 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 130.826 3.65 . . . . 1.0 112.86 170.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -56.56 9.17 0.01 OUTLIER Glycine 0 CA--C 1.541 1.714 0 C-N-CA 129.436 3.398 . . . . 1.0 119.795 -173.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 13' ' ' TYR . 4.9 m -45.6 125.43 5.87 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 126.478 1.911 . . . . 1.0 112.522 173.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 12.9 tm-20 -96.19 -92.72 0.21 Allowed 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 129.723 3.209 . . . . 1.0 117.045 -171.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.5 t -48.59 164.41 0.06 Allowed 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 119.544 3.164 . . . . 1.0 119.544 -170.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . -179.46 -7.54 0.02 OUTLIER Glycine 0 CA--C 1.541 1.676 0 C-N-CA 128.572 2.987 . . . . 1.0 116.468 174.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.23 21.68 2.34 Favored 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 127.11 2.164 . . . . 1.0 115.787 173.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 13.1 t -74.27 139.16 44.09 Favored 'General case' 0 CA--C 1.551 0.987 1 C-N-CA 132.995 4.518 . . . . 1.0 114.442 -171.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.68 169.83 0.49 Allowed 'General case' 0 N--CA 1.496 1.825 0 C-N-CA 129.522 3.129 . . . . 1.0 114.588 -171.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.498 1.968 0 C-N-CA 129.785 3.234 . . . . 1.0 114.95 172.069 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 2.6 ttm . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 119.547 -0.263 . . . . 1.0 111.344 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -118.55 121.27 39.83 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.246 1.018 . . . . 1.0 110.987 174.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 97.6 m -120.64 118.65 30.68 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 125.107 1.363 . . . . 1.0 112.69 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.1 t -111.05 126.83 68.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.202 1.801 . . . . 1.0 112.394 -172.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.0 mp -116.93 120.45 65.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 126.751 2.02 . . . . 1.0 112.105 -172.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.447 ' HB3' HG21 ' A' ' 38' ' ' ILE . 78.1 m-85 -96.1 103.16 15.04 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.966 1.706 . . . . 1.0 112.405 -175.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' HA3' HG13 ' A' ' 38' ' ' ILE . . . 67.83 97.17 0.04 OUTLIER Glycine 0 N--CA 1.48 1.63 0 C-N-CA 129.631 3.491 . . . . 1.0 117.946 176.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -70.37 -51.94 26.15 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-N 120.011 1.905 . . . . 1.0 112.558 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.1 t -63.96 133.8 53.87 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 128.016 2.526 . . . . 1.0 115.844 -172.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.47 -9.38 41.56 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 128.431 2.92 . . . . 1.0 116.664 173.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 11.2 p -155.03 120.77 2.63 Favored Pre-proline 0 CA--C 1.558 1.254 0 C-N-CA 126.714 2.006 . . . . 1.0 116.013 -172.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -67.89 -27.35 37.15 Favored 'Trans proline' 0 C--N 1.359 1.079 0 C-N-CA 124.584 3.523 . . . . 1.0 113.106 -172.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -64.91 -38.44 90.98 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.639 1.109 . . . . 1.0 111.726 172.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.495 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.4 t -65.69 -47.99 73.57 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.07 1.348 . . . . 1.0 112.016 171.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.8 t -53.84 -52.29 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-O 117.75 -1.119 . . . . 1.0 111.344 172.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -62.83 -41.64 99.41 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.783 1.233 . . . . 1.0 111.588 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.524 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -58.79 -46.67 87.03 Favored 'General case' 0 CA--C 1.561 1.395 0 C-N-CA 124.621 1.169 . . . . 1.0 113.145 172.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -61.57 -54.28 45.2 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.348 1.459 . . . . 1.0 112.527 171.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -52.57 -42.64 64.65 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 128.584 2.754 . . . . 1.0 112.971 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 mp -61.8 -45.93 91.74 Favored 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 126.428 1.891 . . . . 1.0 112.538 171.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.68 96.9 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.601 1.16 . . . . 1.0 112.448 171.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -56.15 -48.41 76.33 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.534 1.534 . . . . 1.0 111.761 171.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -53.4 -46.71 69.81 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.138 2.575 . . . . 1.0 113.343 172.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.1 mt -65.64 -44.35 86.69 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.564 1.546 . . . . 1.0 113.595 172.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 t -60.86 -33.92 73.81 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.735 1.152 . . . . 1.0 113.581 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.52 -44.83 81.4 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 127.754 2.422 . . . . 1.0 110.788 170.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -78.5 -31.27 47.61 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 127.172 2.189 . . . . 1.0 114.044 -175.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.5 mtt180 -122.71 162.16 22.52 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 116.962 2.208 . . . . 1.0 116.962 -171.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -83.02 -38.42 22.63 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 131.199 3.8 . . . . 1.0 114.457 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -82.19 -22.09 36.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 127.005 2.122 . . . . 1.0 115.471 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -97.74 110.89 23.37 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.791 1.636 . . . . 1.0 113.08 -171.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -114.1 130.94 56.56 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.91 2.484 . . . . 1.0 110.901 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.29 0.0 OUTLIER -111.72 136.66 50.67 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.115 2.566 . . . . 1.0 115.535 -171.585 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -128.97 133.54 47.85 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.661 1.584 . . . . 1.0 110.263 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 34.7 t80 -113.04 123.48 50.39 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.394 1.477 . . . . 1.0 111.699 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 41.8 t -122.13 113.51 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 126.902 2.081 . . . . 1.0 111.161 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.01 101.29 3.2 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.808 1.41 . . . . 1.0 114.808 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.447 HG21 ' HB3' ' A' ' 6' ' ' PHE . 2.2 pp -74.52 -34.67 36.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 O-C-N 119.643 -1.911 . . . . 1.0 112.281 173.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -78.72 5.12 11.92 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 127.983 2.513 . . . . 1.0 113.019 172.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -136.26 -32.39 0.86 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 116.238 1.94 . . . . 1.0 116.238 171.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -74.39 -18.32 60.68 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 126.448 1.899 . . . . 1.0 112.285 171.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.17 54.61 1.25 Allowed Glycine 0 N--CA 1.475 1.296 0 C-N-CA 127.632 2.539 . . . . 1.0 114.972 172.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.1 mt -128.85 164.27 31.51 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.189 0 C-N-CA 127.468 2.307 . . . . 1.0 111.681 -172.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.401 ' OG1' ' HE3' ' B' ' 149' ' ' LYS . 2.8 t -149.19 161.41 42.05 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 128.198 2.599 . . . . 1.0 112.939 -172.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.69 -26.47 23.0 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.482 1.513 . . . . 1.0 113.612 171.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -67.57 -31.92 72.32 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.419 2.288 . . . . 1.0 112.728 174.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.56 -56.03 4.75 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 127.437 2.295 . . . . 1.0 110.553 171.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.4 mt -54.53 -48.44 71.95 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 127.295 2.238 . . . . 1.0 112.802 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.596 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.7 pt20 -54.57 -40.28 68.6 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.116 1.367 . . . . 1.0 114.192 173.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -72.17 -58.41 3.44 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 126.505 1.922 . . . . 1.0 111.896 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 18.5 mtmm -51.02 -40.0 57.18 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.395 1.078 . . . . 1.0 113.798 172.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.57 60.6 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 118.067 2.618 . . . . 1.0 118.067 175.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 49.02 38.68 24.97 Favored Glycine 0 CA--C 1.544 1.889 0 CA-C-N 120.406 1.457 . . . . 1.0 112.486 -171.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.89 126.63 11.3 Favored Pre-proline 0 N--CA 1.481 1.106 0 C-N-CA 128.942 2.897 . . . . 1.0 110.862 -171.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.8 55.93 5.08 Favored 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 124.48 3.454 . . . . 1.0 114.839 -172.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG22 ' HB3' ' A' ' 49' ' ' GLN . 2.9 m -69.24 150.14 10.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.192 0.997 . . . . 1.0 112.533 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -122.76 -32.53 3.53 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.48 1.112 . . . . 1.0 112.263 171.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.9 p -133.24 -179.08 5.28 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.355 1.862 . . . . 1.0 113.742 -174.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.485 HG21 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -89.82 158.51 44.79 Favored Pre-proline 0 N--CA 1.49 1.55 0 C-N-CA 127.15 2.18 . . . . 1.0 112.585 178.212 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.05 168.99 70.68 Favored 'Cis proline' 0 CA--C 1.542 0.888 0 N-CA-C 114.279 0.838 . . . . 1.0 114.279 4.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.411 HE22 HG11 ' A' ' 56' ' ' VAL . 87.1 mm-40 -139.35 74.97 1.49 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.74 2.016 . . . . 1.0 111.17 176.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.524 HD12 ' HB1' ' A' ' 17' ' ' ALA . 81.9 mt -99.31 150.81 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 127.911 2.484 . . . . 1.0 114.969 175.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -133.11 109.07 9.24 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.369 1.868 . . . . 1.0 109.812 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.5 t -90.16 122.31 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 125.101 1.361 . . . . 1.0 109.085 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.637 0.0 OUTLIER 52.8 17.69 0.9 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 130.257 3.423 . . . . 1.0 117.013 -170.963 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.1 tt0 94.56 5.93 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.605 1 C-N-CA 132.24 4.216 . . . . 1.0 114.894 -174.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -94.14 134.01 37.03 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 126.771 2.028 . . . . 1.0 109.98 172.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -60.74 107.82 0.75 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.841 0.856 . . . . 1.0 111.676 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.5 mm -126.04 83.79 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 128.945 2.898 . . . . 1.0 106.465 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -8.25 -56.57 0.01 OUTLIER Glycine 0 CA--C 1.542 1.736 0 C-N-CA 129.543 3.449 . . . . 1.0 118.601 -176.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.95 -139.08 12.11 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 127.665 2.555 . . . . 1.0 111.157 -172.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.514 ' H ' ' HB2' ' A' ' 17' ' ' ALA . 37.0 t80 -33.63 -35.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 121.324 2.562 . . . . 1.0 115.153 176.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -62.28 1.48 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 119.894 -1.754 . . . . 1.0 113.527 170.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.9 -62.6 1.33 Allowed 'General case' 0 N--CA 1.481 1.101 1 C-N-CA 131.786 4.034 . . . . 1.0 114.839 177.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -43.72 -43.49 6.0 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 130.202 3.401 . . . . 1.0 112.929 172.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.58 -51.32 70.34 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 124.293 1.037 . . . . 1.0 112.2 171.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.98 -41.91 83.99 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 124.491 1.116 . . . . 1.0 112.875 172.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 73.2 t90 -58.92 -53.94 52.73 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.542 1.937 . . . . 1.0 113.651 173.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.8 t -56.98 -52.03 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 127.173 2.189 . . . . 1.0 110.995 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -52.82 -52.35 57.34 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 128.208 2.603 . . . . 1.0 113.132 176.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -56.27 -16.58 5.68 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.65 1.722 . . . . 1.0 115.65 173.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -100.11 -59.33 1.73 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 128.446 2.698 . . . . 1.0 113.381 171.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.7 mt -78.01 -36.14 49.11 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 127.166 2.187 . . . . 1.0 116.081 -174.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -94.97 -0.11 54.17 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 127.023 2.129 . . . . 1.0 115.25 176.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.351 0 C-N-CA 130.428 3.491 . . . . 1.0 115.892 -171.686 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.18 0 N-CA-C 107.94 -2.064 . . . . 1.0 107.94 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.23 106.73 6.13 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 105.95 -1.87 . . . . 1.0 105.95 170.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -137.95 124.96 21.37 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.884 1.673 . . . . 1.0 111.931 -175.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.91 139.99 23.04 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.534 0.939 . . . . 1.0 113.534 172.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -132.81 88.15 2.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.687 1.995 . . . . 1.0 111.292 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -114.42 112.4 22.95 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 114.328 1.232 . . . . 1.0 114.328 -172.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.08 88.24 2.68 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 126.811 2.044 . . . . 1.0 109.238 171.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.18 110.27 1.34 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.701 2.4 . . . . 1.0 112.133 -177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 6.1 tt -140.77 129.78 23.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.519 1.527 . . . . 1.0 111.69 -172.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 89.5 t -115.9 -64.75 0.03 OUTLIER Pre-proline 0 N--CA 1.492 1.649 0 C-N-CA 125.443 1.497 . . . . 1.0 112.667 -172.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -72.3 92.65 0.74 Allowed 'Trans proline' 0 CA--C 1.549 1.26 0 C-N-CA 123.581 2.854 . . . . 1.0 109.256 171.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 26.1 p -91.08 107.39 19.17 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 122.786 1.279 . . . . 1.0 113.709 -171.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 4.8 mp -131.14 78.78 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 127.345 2.258 . . . . 1.0 109.498 173.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -144.37 98.15 3.16 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.951 2.1 . . . . 1.0 106.907 171.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.99 97.23 3.14 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.807 1.243 . . . . 1.0 107.909 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -145.24 8.54 1.21 Allowed 'General case' 0 CA--C 1.556 1.181 0 N-CA-C 117.394 2.368 . . . . 1.0 117.394 -171.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 129.95 94.8 0.73 Allowed Glycine 0 CA--C 1.541 1.659 0 C-N-CA 125.479 1.514 . . . . 1.0 116.673 172.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 2.6 t -154.7 148.61 25.65 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 116.539 2.052 . . . . 1.0 116.539 171.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -130.22 102.33 6.17 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 128.574 2.75 . . . . 1.0 111.209 174.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 9.7 t -161.75 150.96 15.98 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 126.879 2.072 . . . . 1.0 112.654 171.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 153.77 -13.87 0.58 Allowed Glycine 0 N--CA 1.479 1.546 0 N-CA-C 118.376 2.11 . . . . 1.0 118.376 171.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.43 31.21 14.2 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 126.343 1.857 . . . . 1.0 115.362 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.3 m -73.25 140.22 46.71 Favored 'General case' 0 CA--C 1.559 1.327 0 CA-C-O 123.227 1.489 . . . . 1.0 112.497 178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . 0.401 ' HE3' ' OG1' ' A' ' 44' ' ' THR . 14.1 ptmt 176.74 176.91 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 1 C-N-CA 136.203 5.801 . . . . 1.0 107.588 -171.837 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.1 tp . . . . . 0 N--CA 1.502 2.137 0 CA-C-N 120.826 1.648 . . . . 1.0 112.955 171.326 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 121.607 0.718 . . . . 1.0 109.581 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 tm0? -112.9 121.95 46.18 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 128.015 2.526 . . . . 1.0 110.829 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.4 m -120.52 118.4 30.14 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.913 1.285 . . . . 1.0 112.899 -172.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 t -115.22 121.78 67.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 126.495 1.918 . . . . 1.0 110.628 -176.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.3 mp -107.6 122.18 61.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 126.728 2.011 . . . . 1.0 111.499 -171.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -103.02 101.36 11.34 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.022 1.729 . . . . 1.0 114.143 -172.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.54 76.41 0.73 Allowed Glycine 0 N--CA 1.48 1.567 0 C-N-CA 128.662 3.029 . . . . 1.0 117.78 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.8 ttt180 -67.93 -38.78 83.28 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 127.513 2.325 . . . . 1.0 114.454 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -62.93 -23.29 67.31 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 118.27 2.693 . . . . 1.0 118.27 -171.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.99 -9.37 60.88 Favored Glycine 0 CA--C 1.538 1.531 0 N-CA-C 118.967 2.347 . . . . 1.0 118.967 -171.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.0 p -169.48 146.7 2.95 Favored Pre-proline 0 CA--C 1.558 1.259 0 CA-C-N 120.131 1.965 . . . . 1.0 115.882 -171.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -64.67 -36.67 40.52 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 123.849 3.033 . . . . 1.0 114.903 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -62.03 -38.79 90.04 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 120.066 1.303 . . . . 1.0 112.293 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.547 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.5 t -63.97 -45.17 90.3 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.823 1.249 . . . . 1.0 111.892 171.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.9 t -59.61 -52.65 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 CA-C-O 117.226 -1.369 . . . . 1.0 111.47 172.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.8 mtm180 -64.07 -41.07 97.48 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.837 1.655 . . . . 1.0 111.537 -179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -60.27 -43.45 96.17 Favored 'General case' 0 CA--C 1.557 1.243 0 C-N-CA 125.231 1.413 . . . . 1.0 112.363 171.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -57.79 11.21 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.504 1.121 . . . . 1.0 109.917 171.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.52 -37.89 3.81 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.499 2.32 . . . . 1.0 113.856 172.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -64.98 -44.91 87.77 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 127.738 2.415 . . . . 1.0 112.765 171.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.51 98.75 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 124.39 1.076 . . . . 1.0 111.253 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -60.89 -46.54 90.22 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.495 -1.378 . . . . 1.0 111.783 171.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -53.95 -43.95 70.3 Favored 'General case' 0 N--CA 1.496 1.833 0 C-N-CA 130.534 3.534 . . . . 1.0 112.271 171.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.0 mt -66.63 -49.66 65.53 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 127.743 2.417 . . . . 1.0 113.286 172.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.7 t -58.66 -34.73 71.56 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 125.013 1.325 . . . . 1.0 113.734 172.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.93 -42.89 97.23 Favored 'General case' 0 CA--C 1.558 1.284 0 C-N-CA 127.586 2.354 . . . . 1.0 111.734 171.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -81.34 -26.17 35.8 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 128.073 2.549 . . . . 1.0 115.804 -178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.0 mtm105 -137.42 149.8 47.18 Favored 'General case' 0 N--CA 1.493 1.709 0 C-N-CA 126.563 1.945 . . . . 1.0 115.184 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -78.33 -31.98 48.96 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 125.527 1.531 . . . . 1.0 114.504 177.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -62.21 -22.8 66.22 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 131.18 3.792 . . . . 1.0 116.985 175.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -97.12 116.87 30.1 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.312 1.045 . . . . 1.0 112.822 -170.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -121.34 119.27 31.68 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.713 2.405 . . . . 1.0 110.908 -172.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.31 0.1 OUTLIER -109.21 137.1 47.62 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 129.55 3.14 . . . . 1.0 117.659 -171.386 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -129.78 133.56 47.06 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 127.046 2.138 . . . . 1.0 111.353 175.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -108.01 124.07 49.62 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.015 1.326 . . . . 1.0 113.301 175.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.49 118.66 46.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 C-N-CA 128.078 2.551 . . . . 1.0 110.37 -177.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 0.0 OUTLIER -74.55 155.02 38.36 Favored 'General case' 0 N--CA 1.485 1.308 0 O-C-N 119.417 -2.052 . . . . 1.0 114.043 172.301 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -129.43 -51.68 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.407 1.483 . . . . 1.0 110.834 175.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.63 -36.25 83.2 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 125.334 1.454 . . . . 1.0 112.349 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.82 -32.11 31.41 Favored 'General case' 0 CA--C 1.558 1.275 0 C-N-CA 125.817 1.647 . . . . 1.0 113.957 172.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.78 -9.45 58.79 Favored 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 127.682 2.393 . . . . 1.0 116.481 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.79 19.63 39.75 Favored Glycine 0 CA--C 1.548 2.1 0 C-N-CA 125.824 1.678 . . . . 1.0 116.854 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.9 mt -118.71 156.74 20.59 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 128.92 2.888 . . . . 1.0 110.462 -173.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.0 t -142.74 167.98 20.79 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 115.935 1.828 . . . . 1.0 115.935 -171.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.57 -36.85 25.12 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.278 1.831 . . . . 1.0 113.305 172.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 59.5 mp0 -63.8 -27.19 69.01 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.94 1.696 . . . . 1.0 113.301 175.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -86.34 -38.57 17.32 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 127.255 2.222 . . . . 1.0 113.253 172.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 mt -67.34 -52.02 45.27 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 127.35 2.26 . . . . 1.0 113.043 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.662 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.5 pt20 -44.43 -38.88 4.33 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 126.912 2.085 . . . . 1.0 114.859 175.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -65.16 -65.31 0.69 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.704 2.402 . . . . 1.0 111.555 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -60.8 -21.65 63.34 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 126.614 1.965 . . . . 1.0 114.842 172.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.93 -17.23 51.22 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.627 2.371 . . . . 1.0 114.508 171.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 72.25 -38.06 0.68 Allowed Glycine 0 CA--C 1.542 1.739 0 C-N-CA 127.44 2.447 . . . . 1.0 114.275 -171.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -75.24 122.47 87.4 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 128.725 2.81 . . . . 1.0 111.046 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -66.75 77.39 0.38 Allowed 'Trans proline' 0 CA--C 1.55 1.321 0 C-N-CA 124.323 3.349 . . . . 1.0 111.474 172.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.662 HG22 ' HB3' ' A' ' 49' ' ' GLN . 11.3 m -68.36 154.38 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 C-N-CA 126.183 1.793 . . . . 1.0 112.412 173.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -130.47 -18.28 3.21 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 126.815 2.046 . . . . 1.0 114.197 175.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 39.5 p -141.83 -178.64 5.77 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 130.479 3.511 . . . . 1.0 113.248 -173.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.12 167.0 14.39 Favored Pre-proline 0 N--CA 1.496 1.873 0 C-N-CA 126.324 1.85 . . . . 1.0 114.501 172.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.81 165.65 73.18 Favored 'Cis proline' 0 C--N 1.36 1.148 0 N-CA-C 114.73 1.012 . . . . 1.0 114.73 -5.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -136.7 80.55 1.82 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.235 2.614 . . . . 1.0 111.15 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.447 HD12 ' HB1' ' A' ' 17' ' ' ALA . 21.1 mt -111.05 151.69 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 128.561 2.745 . . . . 1.0 113.805 172.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -124.73 112.94 17.33 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 127.655 2.382 . . . . 1.0 109.324 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.423 HG23 ' HB ' ' A' ' 69' ' ' ILE . 17.0 t -107.86 127.81 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 125.908 1.683 . . . . 1.0 109.13 175.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 55.09 66.05 1.34 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 131.183 3.793 . . . . 1.0 110.01 -171.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 57.22 3.32 0.15 Allowed 'General case' 0 CA--C 1.559 1.29 0 C-N-CA 128.596 2.759 . . . . 1.0 116.771 178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -137.88 159.82 40.97 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.795 2.038 . . . . 1.0 113.793 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -61.23 125.69 24.66 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 115.984 1.846 . . . . 1.0 115.984 -172.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.423 ' HB ' HG23 ' A' ' 64' ' ' VAL . 47.5 mm -140.53 97.02 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 129.756 3.223 . . . . 1.0 103.781 171.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -14.71 -59.01 0.01 OUTLIER Glycine 0 N--CA 1.476 1.348 0 C-N-CA 129.141 3.258 . . . . 1.0 117.659 -171.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.48 -147.87 19.17 Favored Glycine 0 C--O 1.221 -0.659 0 C-N-CA 126.421 1.962 . . . . 1.0 109.94 -172.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.512 ' CZ ' ' HB2' ' B' ' 140' ' ' ASP . 1.7 t80 -34.16 -50.13 0.39 Allowed 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 127.781 2.432 . . . . 1.0 111.994 -173.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -60.18 3.66 Favored 'General case' 0 N--CA 1.493 1.68 0 C-N-CA 128.786 2.835 . . . . 1.0 115.322 170.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.52 -51.43 43.19 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.088 2.155 . . . . 1.0 111.402 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -50.54 -54.79 19.71 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.286 2.234 . . . . 1.0 114.194 172.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -55.19 -49.48 71.8 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.135 0.974 . . . . 1.0 112.249 175.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.69 -41.72 95.73 Favored 'General case' 0 CA--C 1.552 1.052 0 C-N-CA 124.375 1.07 . . . . 1.0 113.426 173.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -60.78 -53.11 61.42 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 127.191 2.196 . . . . 1.0 112.763 176.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.9 t -56.58 -51.09 70.01 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 126.419 1.888 . . . . 1.0 111.137 172.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -55.07 -54.99 36.05 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.731 2.012 . . . . 1.0 112.942 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.87 -13.05 1.58 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 127.67 2.388 . . . . 1.0 115.208 173.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -98.68 -59.9 1.65 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 127.166 2.186 . . . . 1.0 111.931 171.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.6 mt -78.37 -62.78 1.57 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 126.98 2.112 . . . . 1.0 113.427 -172.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.55 0.71 7.88 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 128.957 2.903 . . . . 1.0 114.805 176.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.947 0 C-N-CA 130.093 3.357 . . . . 1.0 113.662 -172.865 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.194 0 N-CA-C 108.919 -1.673 . . . . 1.0 108.919 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -133.38 107.61 8.19 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.054 1.742 . . . . 1.0 107.026 171.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -137.77 150.85 47.58 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 126.95 2.1 . . . . 1.0 111.189 -176.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -132.84 101.32 5.21 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-O 123.542 1.639 . . . . 1.0 114.482 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -139.9 87.58 2.17 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.96 2.104 . . . . 1.0 107.046 171.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -126.64 97.81 5.15 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 126.795 2.038 . . . . 1.0 107.284 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -106.75 87.82 2.61 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 123.047 1.403 . . . . 1.0 109.443 -172.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -57.96 110.11 0.86 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.954 2.102 . . . . 1.0 110.579 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.64 ' H ' HD13 ' B' ' 134' ' ' LEU . 0.0 OUTLIER -65.93 97.05 0.33 Allowed 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 121.747 0.784 . . . . 1.0 110.106 177.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . 0.302 14.5 p -87.38 -28.9 0.38 Allowed Pre-proline 0 N--CA 1.485 1.286 0 C-N-CA 127.101 2.16 . . . . 1.0 115.076 -177.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -86.28 132.98 3.85 Favored 'Trans proline' 0 CA--C 1.548 1.212 0 C-N-CA 124.059 3.172 . . . . 1.0 108.121 170.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 59.8 p -91.08 107.25 19.08 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 123.442 1.591 . . . . 1.0 114.03 -171.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 46.5 pt -120.56 -4.35 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 C-N-CA 130.543 3.537 . . . . 1.0 113.4 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -130.69 120.0 23.23 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 130.516 3.526 . . . . 1.0 108.406 173.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 7.0 p-10 -135.33 97.96 3.84 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.711 1.004 . . . . 1.0 113.711 171.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -163.12 -148.14 0.13 Allowed 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 129.095 2.958 . . . . 1.0 109.475 171.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -53.06 -6.73 0.39 Allowed Glycine 0 CA--C 1.549 2.16 0 N-CA-C 118.969 2.347 . . . . 1.0 118.969 -176.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.1 t -64.76 127.79 33.03 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 127.742 2.417 . . . . 1.0 114.331 172.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.36 86.15 2.33 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 126.169 1.787 . . . . 1.0 110.832 172.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 3.6 t -136.2 151.0 49.25 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.518 1.927 . . . . 1.0 112.972 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 161.43 -4.15 0.08 OUTLIER Glycine 0 CA--C 1.538 1.478 0 C-N-CA 126.312 1.911 . . . . 1.0 117.23 171.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.02 18.25 1.63 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 128.34 2.656 . . . . 1.0 116.223 172.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 7.4 t -79.39 112.92 17.1 Favored 'General case' 0 CA--C 1.544 0.733 1 C-N-CA 132.316 4.246 . . . . 1.0 113.686 -171.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 10.6 ptmt 177.27 166.59 0.59 Allowed 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 129.443 3.097 . . . . 1.0 112.332 -171.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 6.5 tp . . . . . 0 N--CA 1.495 1.8 0 C-N-CA 128.356 2.662 . . . . 1.0 116.814 -175.3 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ttm . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 119.72 -0.181 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -112.36 124.11 51.75 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.029 1.332 . . . . 1.0 112.027 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 82.9 m -121.03 122.87 41.04 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 126.846 2.059 . . . . 1.0 111.953 -176.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.1 t -114.71 131.99 65.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 C-N-CA 126.8 2.04 . . . . 1.0 111.137 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 9.6 mt -119.95 132.96 68.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.718 2.007 . . . . 1.0 111.577 -169.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -112.42 116.19 29.91 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.366 1.466 . . . . 1.0 113.855 -176.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.8 72.61 0.81 Allowed Glycine 0 N--CA 1.482 1.717 0 N-CA-C 120.457 2.943 . . . . 1.0 120.457 169.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -63.03 -38.47 91.32 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 126.298 1.839 . . . . 1.0 115.069 174.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -70.78 117.45 12.31 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 128.408 2.683 . . . . 1.0 115.057 -171.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.83 -7.11 17.51 Favored Glycine 0 CA--C 1.539 1.576 0 N-CA-C 119.267 2.467 . . . . 1.0 119.267 170.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.8 p -157.41 146.49 14.86 Favored Pre-proline 0 CA--C 1.556 1.206 0 CA-C-N 120.541 2.17 . . . . 1.0 115.426 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -67.72 -41.59 7.99 Favored 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 123.631 2.887 . . . . 1.0 114.544 -171.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -61.5 -37.94 85.5 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.119 0.968 . . . . 1.0 113.448 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -66.67 -38.72 87.4 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 124.591 1.156 . . . . 1.0 113.935 172.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.6 -54.09 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 CA-C-O 118.137 -0.935 . . . . 1.0 110.83 170.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.9 mtp85 -55.47 -44.25 76.26 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.462 1.105 . . . . 1.0 111.495 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.23 -51.0 69.7 Favored 'General case' 0 CA--C 1.556 1.209 0 C-N-CA 125.225 1.41 . . . . 1.0 114.585 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.28 -52.2 65.73 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 125.416 1.486 . . . . 1.0 113.058 174.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.82 -36.16 71.86 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.851 1.66 . . . . 1.0 114.463 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mp -62.15 -43.19 99.37 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.109 1.763 . . . . 1.0 113.747 169.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.03 99.22 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 124.428 1.091 . . . . 1.0 112.668 170.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -60.34 -44.38 95.58 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.158 1.383 . . . . 1.0 113.268 170.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 64.9 tttt -53.49 -55.61 23.93 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 128.337 2.655 . . . . 1.0 111.343 169.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.5 mt -53.36 -48.15 68.8 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 126.593 1.957 . . . . 1.0 113.482 171.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.5 t -62.9 -41.04 99.29 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 125.677 1.591 . . . . 1.0 114.674 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -40.81 95.69 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.684 1.594 . . . . 1.0 112.257 170.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -71.64 -29.26 64.44 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 127.596 2.359 . . . . 1.0 115.091 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -130.72 160.46 34.26 Favored 'General case' 0 N--CA 1.496 1.869 0 CA-C-N 120.872 1.669 . . . . 1.0 115.079 -170.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 p-10 -76.15 -40.7 52.02 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.505 2.322 . . . . 1.0 114.636 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -85.67 -15.02 43.7 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 127.182 2.193 . . . . 1.0 116.649 -170.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -96.32 97.05 9.17 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.429 1.892 . . . . 1.0 114.609 -168.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.61 129.11 44.07 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.794 1.637 . . . . 1.0 109.089 175.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.272 0.0 OUTLIER -110.03 139.14 45.46 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 115.18 1.548 . . . . 1.0 115.18 -177.061 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -126.45 140.47 52.45 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 128.394 2.678 . . . . 1.0 109.94 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -128.5 125.64 38.82 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.954 2.102 . . . . 1.0 112.791 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -120.92 114.61 44.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.954 0 C-N-CA 129.177 2.991 . . . . 1.0 111.67 -174.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.492 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.289 0.0 OUTLIER -69.93 86.66 0.53 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.839 2.456 . . . . 1.0 117.478 174.516 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -57.27 -35.71 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 119.82 -1.8 . . . . 1.0 112.784 174.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -77.56 5.93 8.12 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 127.349 2.26 . . . . 1.0 115.126 172.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -126.14 -47.36 1.62 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.594 1.558 . . . . 1.0 112.113 169.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -60.91 -15.79 34.87 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 127.916 2.486 . . . . 1.0 115.124 169.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.03 53.03 2.93 Favored Glycine 0 N--CA 1.484 1.835 0 C-N-CA 127.344 2.402 . . . . 1.0 115.478 170.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.1 mt -138.85 162.14 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 127.683 2.393 . . . . 1.0 113.472 -169.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.1 t -154.21 169.07 24.49 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 128.152 2.581 . . . . 1.0 114.137 -173.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -30.31 21.15 Favored 'General case' 0 N--CA 1.493 1.699 0 C-N-CA 127.5 2.32 . . . . 1.0 115.781 176.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -68.05 -39.34 83.05 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 127.29 2.236 . . . . 1.0 111.176 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -73.49 -50.52 21.08 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 127.903 2.481 . . . . 1.0 112.131 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.2 mt -57.37 -47.07 82.62 Favored 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 126.031 1.732 . . . . 1.0 113.057 -174.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.612 ' HB3' HG22 ' A' ' 56' ' ' VAL . 7.4 pt20 -56.07 -27.97 55.66 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 115.086 1.513 . . . . 1.0 115.086 171.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.2 mt-30 -80.91 -58.62 3.0 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.995 1.718 . . . . 1.0 111.757 178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -57.52 -34.51 69.19 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.286 1.434 . . . . 1.0 114.435 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.5 76.18 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 117.15 2.278 . . . . 1.0 117.15 176.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 67.0 16.63 66.69 Favored Glycine 0 CA--C 1.552 2.364 0 C-N-CA 124.584 1.087 . . . . 1.0 114.761 -169.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -126.8 126.81 24.5 Favored Pre-proline 0 N--CA 1.482 1.144 0 C-N-CA 130.84 3.656 . . . . 1.0 108.725 175.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -67.64 131.12 23.6 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 123.031 2.487 . . . . 1.0 111.223 178.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.612 HG22 ' HB3' ' A' ' 49' ' ' GLN . 4.3 m -128.77 166.43 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.251 1.82 . . . . 1.0 112.255 175.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -122.11 -48.81 2.09 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 124.681 1.192 . . . . 1.0 113.361 171.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.27 -175.27 3.87 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 128.6 2.76 . . . . 1.0 111.772 -171.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -80.77 158.89 70.12 Favored Pre-proline 0 N--CA 1.493 1.695 0 O-C-N 119.984 -1.697 . . . . 1.0 111.201 171.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -73.77 170.56 70.11 Favored 'Cis proline' 0 CA--C 1.546 1.109 0 N-CA-C 114.984 1.109 . . . . 1.0 114.984 6.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -145.91 85.46 1.69 Allowed 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.108 2.163 . . . . 1.0 110.358 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 83.2 mt -115.75 133.47 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 C-N-CA 126.436 1.894 . . . . 1.0 113.392 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -110.05 97.41 6.91 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.833 2.053 . . . . 1.0 110.651 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 t -81.87 143.7 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 C-N-CA 124.807 1.243 . . . . 1.0 108.989 170.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 49.73 17.09 0.24 Allowed 'General case' 0 CA--C 1.57 1.724 0 N-CA-C 116.583 2.068 . . . . 1.0 116.583 -175.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.263 0.0 OUTLIER 72.76 12.14 5.34 Favored 'General case' 0 CA--C 1.561 1.379 0 C-N-CA 130.535 3.534 . . . . 1.0 114.992 -169.48 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -91.77 141.29 28.83 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 129.516 3.126 . . . . 1.0 110.574 170.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -70.66 106.39 3.5 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.818 -1.176 . . . . 1.0 113.808 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.5 mm -99.12 168.79 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 C-N-CA 127.626 2.37 . . . . 1.0 107.599 168.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -68.17 -69.49 1.36 Allowed Glycine 0 CA--C 1.542 1.734 0 O-C-N 118.789 -2.444 . . . . 1.0 113.157 170.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.426 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 128.45 -137.78 9.91 Favored Glycine 0 N--CA 1.473 1.152 0 C-N-CA 128.388 2.899 . . . . 1.0 109.919 -169.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -30.7 -52.73 0.17 Allowed 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 127.192 2.197 . . . . 1.0 116.138 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.9 -64.02 0.95 Allowed 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 126.754 2.022 . . . . 1.0 114.018 170.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.426 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.8 OUTLIER -65.05 -56.9 10.39 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 130.018 3.327 . . . . 1.0 111.035 -178.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -35.49 24.42 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 128.037 2.535 . . . . 1.0 114.976 177.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.87 -52.46 56.45 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.267 1.027 . . . . 1.0 112.631 170.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.46 -44.24 97.45 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.216 1.406 . . . . 1.0 113.433 174.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -52.98 -50.38 64.25 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 128.221 2.608 . . . . 1.0 113.793 171.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 63.8 t -60.01 -51.27 74.78 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 C-N-CA 124.62 1.168 . . . . 1.0 112.137 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -53.71 -51.65 62.59 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 126.969 2.108 . . . . 1.0 113.452 176.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -56.37 -13.09 1.96 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 129.176 2.991 . . . . 1.0 114.86 170.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -103.06 -45.07 5.04 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.659 2.384 . . . . 1.0 116.622 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 19.8 mt -95.11 -30.85 13.84 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.538 2.051 . . . . 1.0 116.538 -174.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -107.92 2.46 23.38 Favored 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 128.004 2.522 . . . . 1.0 115.58 177.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.29 0 C-N-CA 130.346 3.458 . . . . 1.0 115.713 178.486 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 N-CA-C 108.507 -1.837 . . . . 1.0 108.507 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.29 103.17 5.02 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 107.297 -1.371 . . . . 1.0 107.297 168.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.51 163.09 33.86 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 126.586 1.954 . . . . 1.0 115.249 -174.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -139.64 102.1 4.37 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.948 2.099 . . . . 1.0 112.418 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -97.69 91.9 5.62 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 126.623 1.969 . . . . 1.0 112.554 -177.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . 0.446 HE22 ' HB2' ' B' ' 133' ' ' ASP . 0.0 OUTLIER -129.95 142.32 50.66 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 125.698 1.599 . . . . 1.0 114.442 172.504 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -126.53 101.61 6.74 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 127.485 2.314 . . . . 1.0 111.457 172.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . 0.446 ' HB2' HE22 ' B' ' 131' ' ' GLN . 16.0 t0 -89.73 106.18 18.29 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 120.48 -1.387 . . . . 1.0 112.642 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -151.22 99.29 2.65 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.624 1.969 . . . . 1.0 113.87 171.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 72.7 t -56.18 -52.8 69.99 Favored Pre-proline 0 N--CA 1.49 1.531 0 C-N-CA 125.147 1.379 . . . . 1.0 110.642 169.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -80.12 92.4 1.1 Allowed 'Trans proline' 0 CA--C 1.554 1.509 0 C-N-CA 123.453 2.769 . . . . 1.0 109.419 168.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 76.6 p -89.51 105.5 17.84 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-O 122.32 1.057 . . . . 1.0 111.714 -176.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.81 85.79 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.444 1.897 . . . . 1.0 109.451 -178.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -170.06 97.66 0.28 Allowed 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 128.883 2.873 . . . . 1.0 108.264 169.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -136.18 94.43 3.03 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 124.729 1.212 . . . . 1.0 109.792 -176.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -162.95 141.67 8.5 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 115.937 1.829 . . . . 1.0 115.937 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 51.52 -2.2 0.01 OUTLIER Glycine 0 CA--C 1.551 2.315 0 N-CA-C 123.088 3.995 . . . . 1.0 123.088 168.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.1 t -95.45 135.23 37.35 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 117.699 2.481 . . . . 1.0 117.699 -178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -113.59 93.14 4.25 Favored 'General case' 0 N--CA 1.488 1.447 0 C-N-CA 127.951 2.501 . . . . 1.0 111.278 170.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.54 159.58 43.59 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 125.204 1.402 . . . . 1.0 114.267 170.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 152.92 -14.39 0.67 Allowed Glycine 0 N--CA 1.476 1.361 0 N-CA-C 118.781 2.272 . . . . 1.0 118.781 169.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 51.27 26.46 3.0 Favored 'General case' 0 N--CA 1.492 1.633 0 N-CA-C 116.431 2.011 . . . . 1.0 116.431 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.7 m -70.53 110.28 5.32 Favored 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 126.565 1.946 . . . . 1.0 109.156 175.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -179.48 143.43 0.19 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 129.47 3.108 . . . . 1.0 112.05 -175.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.386 9.1 tp . . . . . 0 N--CA 1.479 1.009 1 C-N-CA 132.157 4.183 . . . . 1.0 117.882 171.648 . . . . . . . . 2 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -118.77 116.09 25.82 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.921 1.288 . . . . 1.0 111.156 -174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -117.38 116.2 26.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.489 1.516 . . . . 1.0 112.657 -169.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.97 131.8 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 126.327 1.851 . . . . 1.0 110.996 -173.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.44 118.82 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.145 2.178 . . . . 1.0 112.179 -169.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -98.97 94.72 6.7 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.327 1.851 . . . . 1.0 113.308 -176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.31 77.89 0.99 Allowed Glycine 0 CA--C 1.545 1.946 0 C-N-CA 127.626 2.536 . . . . 1.0 118.804 169.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -68.2 -48.74 64.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 127.365 2.266 . . . . 1.0 114.266 175.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -61.25 143.31 55.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.781 1.633 . . . . 1.0 112.326 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.62 -7.07 9.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 128.067 2.746 . . . . 1.0 119.58 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -134.95 113.31 11.56 Favored Pre-proline 0 CA--C 1.562 1.406 0 CA-C-N 121.27 2.535 . . . . 1.0 115.484 172.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -62.57 -33.44 78.14 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 125.269 3.979 . . . . 1.0 115.725 -170.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.02 -36.73 77.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.851 0.86 . . . . 1.0 111.851 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -65.19 -38.59 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.027 2.131 . . . . 1.0 113.689 170.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.82 -54.15 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.856 1.262 . . . . 1.0 112.009 172.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -55.13 -43.92 74.57 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.221 0.918 . . . . 1.0 110.925 174.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.35 77.94 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 114.528 1.307 . . . . 1.0 114.528 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.79 -58.0 10.29 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.292 1.837 . . . . 1.0 112.452 171.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -35.6 71.73 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.81 1.644 . . . . 1.0 114.844 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.54 -43.06 99.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.432 1.493 . . . . 1.0 112.752 168.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.53 97.27 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.986 -1.072 . . . . 1.0 112.199 169.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -60.53 -43.79 96.79 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 1.0 113.774 170.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -51.68 -55.6 18.54 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 128.204 2.601 . . . . 1.0 110.616 170.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.13 -43.81 98.31 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.912 1.685 . . . . 1.0 112.968 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -59.72 -47.33 86.07 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.786 1.635 . . . . 1.0 113.883 174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -41.3 81.74 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.584 1.954 . . . . 1.0 112.143 169.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.13 -35.47 48.99 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.218 2.607 . . . . 1.0 114.768 -172.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -121.12 173.13 7.48 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 127.229 2.212 . . . . 1.0 115.685 -170.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -92.17 -40.61 10.91 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 128.988 2.915 . . . . 1.0 115.366 -176.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.33 -11.78 48.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.283 2.633 . . . . 1.0 116.908 -177.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -95.75 109.11 21.47 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.028 1.331 . . . . 1.0 114.589 -168.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -123.19 134.42 54.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.907 2.883 . . . . 1.0 112.022 -178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.279 0.1 OUTLIER -112.52 141.03 46.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.827 2.851 . . . . 1.0 114.534 -172.411 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -126.39 132.18 51.59 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.331 1.852 . . . . 1.0 108.859 172.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -124.14 125.34 44.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.943 1.697 . . . . 1.0 112.672 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -130.19 113.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 127.632 2.373 . . . . 1.0 111.168 -175.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.567 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -68.01 99.66 0.89 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.888 1.81 . . . . 1.0 115.888 173.624 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.96 -39.11 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 119.409 -2.057 . . . . 1.0 112.527 174.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -69.18 -10.56 58.3 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 127.3 2.24 . . . . 1.0 115.282 171.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -116.68 -44.82 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 119.95 1.25 . . . . 1.0 113.261 177.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -35.48 78.35 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.349 1.86 . . . . 1.0 113.047 170.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.72 46.73 1.02 Allowed Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.597 2.522 . . . . 1.0 115.723 171.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -124.57 159.34 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 129.213 3.005 . . . . 1.0 110.785 -175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 163.61 36.55 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.592 1.557 . . . . 1.0 114.543 -171.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -17.87 24.09 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 116.267 1.951 . . . . 1.0 116.267 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.41 -30.73 63.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.22 2.608 . . . . 1.0 112.323 171.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -86.36 -48.32 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.253 2.621 . . . . 1.0 112.861 175.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -55.05 -38.28 67.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.913 1.285 . . . . 1.0 113.797 -175.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -62.84 -12.36 24.16 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 126.816 2.046 . . . . 1.0 115.39 170.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -101.12 -50.79 3.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 128.758 2.823 . . . . 1.0 110.574 173.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -50.92 -43.24 59.92 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 126.665 1.986 . . . . 1.0 114.197 171.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.05 60.45 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.186 2.194 . . . . 1.0 116.434 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.46 48.39 11.74 Favored Glycine 0 N--CA 1.479 1.544 0 C-N-CA 125.186 1.374 . . . . 1.0 110.58 -168.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 132.61 8.0 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.811 1.644 . . . . 1.0 113.23 -168.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.75 92.01 0.51 Allowed 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 123.592 2.861 . . . . 1.0 110.918 172.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.26 159.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 127.388 2.275 . . . . 1.0 110.589 172.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -132.67 -26.49 1.79 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.512 1.125 . . . . 1.0 112.815 169.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 p -123.12 178.12 5.24 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 127.963 2.505 . . . . 1.0 113.408 -172.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.08 161.16 32.01 Favored Pre-proline 0 N--CA 1.486 1.341 0 C-N-CA 127.372 2.269 . . . . 1.0 111.426 170.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.61 165.79 82.43 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 N-CA-C 115.087 1.149 . . . . 1.0 115.087 1.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -138.41 81.19 1.84 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.79 2.436 . . . . 1.0 110.912 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.7 mt -113.63 151.98 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 127.833 2.453 . . . . 1.0 113.405 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -133.48 104.73 6.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.029 2.132 . . . . 1.0 109.471 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -89.06 124.6 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 126.115 1.766 . . . . 1.0 109.589 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.447 0.0 OUTLIER 40.94 45.7 2.25 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 127.639 2.375 . . . . 1.0 113.023 -170.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 71.32 4.21 4.97 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 130.23 3.412 . . . . 1.0 117.688 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.13 132.25 43.1 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 127.765 2.426 . . . . 1.0 111.131 173.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.26 107.26 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.029 -1.044 . . . . 1.0 113.171 175.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.8 mm -122.44 89.52 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 128.103 2.561 . . . . 1.0 105.484 169.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.18 -55.75 0.01 OUTLIER Glycine 0 CA--C 1.539 1.567 0 C-N-CA 129.247 3.308 . . . . 1.0 118.212 -170.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.31 -144.15 15.69 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.791 2.615 . . . . 1.0 111.517 -175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -30.39 -43.32 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 128.378 2.671 . . . . 1.0 116.097 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 t -64.66 -63.8 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.815 2.046 . . . . 1.0 115.13 169.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -55.13 36.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.751 2.82 . . . . 1.0 114.192 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -51.72 -39.95 59.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 129.631 3.172 . . . . 1.0 113.389 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.38 67.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.176 1.39 . . . . 1.0 113.117 171.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.04 90.59 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.735 1.214 . . . . 1.0 112.346 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -56.06 -54.37 45.83 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.569 1.947 . . . . 1.0 113.44 173.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.17 -46.7 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.214 1.006 . . . . 1.0 112.544 175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -58.45 -52.02 67.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.914 1.285 . . . . 1.0 113.134 174.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.84 -12.09 9.83 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.461 1.652 . . . . 1.0 115.461 171.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -97.74 -52.96 3.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.87 1.668 . . . . 1.0 111.782 171.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.1 mt -85.98 -30.07 23.03 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.359 1.985 . . . . 1.0 116.359 -172.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.62 6.85 42.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 126.649 1.98 . . . . 1.0 114.26 174.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 126.981 2.112 . . . . 1.0 113.574 173.818 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 108.473 -1.851 . . . . 1.0 108.473 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -141.16 102.27 4.2 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.835 1.318 . . . . 1.0 109.733 167.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -141.77 116.48 9.75 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.991 3.716 . . . . 1.0 105.653 169.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.42 144.04 22.59 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 119.08 2.993 . . . . 1.0 119.08 -169.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -137.56 95.12 3.01 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 129.565 3.146 . . . . 1.0 110.046 173.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 101.82 11.48 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.899 2.08 . . . . 1.0 109.692 -176.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -100.7 85.71 2.97 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.687 1.995 . . . . 1.0 114.399 -168.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.91 121.06 20.37 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 125.639 1.576 . . . . 1.0 112.56 171.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -148.03 96.81 2.7 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.183 1.793 . . . . 1.0 112.977 171.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 66.8 t -56.01 -48.43 96.76 Favored Pre-proline 0 N--CA 1.497 1.923 0 C-N-CA 125.1 1.36 . . . . 1.0 111.633 171.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -84.22 87.35 1.16 Allowed 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.293 2.662 . . . . 1.0 108.907 168.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 85.0 p -88.37 103.29 15.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 124.459 2.076 . . . . 1.0 110.414 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 1.1 mp -140.06 120.14 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 113.149 -1.841 . . . . 1.0 113.745 -168.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -166.99 96.0 0.5 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 131.071 3.748 . . . . 1.0 104.859 166.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -129.67 93.68 3.58 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 105.005 -2.22 . . . . 1.0 105.005 173.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -161.22 -1.01 0.05 Allowed 'General case' 0 CA--C 1.56 1.331 0 N-CA-C 115.221 1.563 . . . . 1.0 115.221 -169.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.21 93.46 1.03 Allowed Glycine 0 N--CA 1.48 1.578 0 C-N-CA 126.796 2.141 . . . . 1.0 112.306 -171.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.3 t -163.48 112.68 1.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 127.354 2.261 . . . . 1.0 111.357 -170.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -126.12 129.89 49.96 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 126.574 1.95 . . . . 1.0 114.059 -172.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 167.52 1.17 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 127.652 2.381 . . . . 1.0 115.453 170.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.94 -13.85 3.34 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 119.864 2.706 . . . . 1.0 119.864 168.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.19 34.89 9.26 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.679 1.74 . . . . 1.0 114.584 170.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 144.04 51.87 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 126.725 2.01 . . . . 1.0 115.197 -168.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 172.61 0.98 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 130.712 3.605 . . . . 1.0 112.195 -171.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.495 1.799 0 C-N-CA 128.466 2.706 . . . . 1.0 114.147 171.487 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.0 ttm . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 108.971 -0.751 . . . . 1.0 108.971 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -118.77 116.09 25.82 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.921 1.288 . . . . 1.0 111.156 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 95.3 m -117.38 116.2 26.73 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.489 1.516 . . . . 1.0 112.657 -169.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.2 t -107.97 131.8 57.37 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 C-N-CA 126.327 1.851 . . . . 1.0 110.996 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.7 mt -122.44 118.82 56.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 127.145 2.178 . . . . 1.0 112.179 -169.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -98.97 94.72 6.7 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.327 1.851 . . . . 1.0 113.308 -176.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.31 77.89 0.99 Allowed Glycine 0 CA--C 1.545 1.946 0 C-N-CA 127.626 2.536 . . . . 1.0 118.804 169.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -68.2 -48.74 64.4 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 127.365 2.266 . . . . 1.0 114.266 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -61.25 143.31 55.85 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.781 1.633 . . . . 1.0 112.326 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 72.62 -7.07 9.48 Favored Glycine 0 CA--C 1.541 1.704 0 C-N-CA 128.067 2.746 . . . . 1.0 119.58 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.7 p -134.95 113.31 11.56 Favored Pre-proline 0 CA--C 1.562 1.406 0 CA-C-N 121.27 2.535 . . . . 1.0 115.484 172.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -62.57 -33.44 78.14 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 125.269 3.979 . . . . 1.0 115.725 -170.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -60.02 -36.73 77.88 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 123.851 0.86 . . . . 1.0 111.851 174.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.7 t -65.19 -38.59 90.95 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.027 2.131 . . . . 1.0 113.689 170.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 65.2 t -59.82 -54.15 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 C-N-CA 124.856 1.262 . . . . 1.0 112.009 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mtp85 -55.13 -43.92 74.57 Favored 'General case' 0 N--CA 1.493 1.692 0 CA-C-N 119.221 0.918 . . . . 1.0 110.925 174.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.36 -49.35 77.94 Favored 'General case' 0 CA--C 1.553 1.096 0 N-CA-C 114.528 1.307 . . . . 1.0 114.528 178.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.79 -58.0 10.29 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.292 1.837 . . . . 1.0 112.452 171.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.13 -35.6 71.73 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.81 1.644 . . . . 1.0 114.844 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.54 -43.06 99.74 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.432 1.493 . . . . 1.0 112.752 168.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.53 97.27 Favored 'General case' 0 CA--C 1.559 1.313 0 O-C-N 120.986 -1.072 . . . . 1.0 112.199 169.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -60.53 -43.79 96.79 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 125.646 1.578 . . . . 1.0 113.774 170.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -51.68 -55.6 18.54 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 128.204 2.601 . . . . 1.0 110.616 170.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mt -61.13 -43.81 98.31 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.912 1.685 . . . . 1.0 112.968 176.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -59.72 -47.33 86.07 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 125.786 1.635 . . . . 1.0 113.883 174.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -41.3 81.74 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.584 1.954 . . . . 1.0 112.143 169.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -78.13 -35.47 48.99 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.218 2.607 . . . . 1.0 114.768 -172.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -121.12 173.13 7.48 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 127.229 2.212 . . . . 1.0 115.685 -170.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 50.9 p-10 -92.17 -40.61 10.91 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 128.988 2.915 . . . . 1.0 115.366 -176.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.33 -11.78 48.4 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 128.283 2.633 . . . . 1.0 116.908 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -95.75 109.11 21.47 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.028 1.331 . . . . 1.0 114.589 -168.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -123.19 134.42 54.16 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 128.907 2.883 . . . . 1.0 112.022 -178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.279 0.1 OUTLIER -112.52 141.03 46.76 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.827 2.851 . . . . 1.0 114.534 -172.411 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -126.39 132.18 51.59 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 126.331 1.852 . . . . 1.0 108.859 172.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -124.14 125.34 44.3 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.943 1.697 . . . . 1.0 112.672 -177.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.8 t -130.19 113.21 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 127.632 2.373 . . . . 1.0 111.168 -175.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.567 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -68.01 99.66 0.89 Allowed 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.888 1.81 . . . . 1.0 115.888 173.624 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -58.96 -39.11 77.29 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 O-C-N 119.409 -2.057 . . . . 1.0 112.527 174.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -69.18 -10.56 58.3 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 127.3 2.24 . . . . 1.0 115.282 171.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -116.68 -44.82 2.82 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 119.95 1.25 . . . . 1.0 113.261 177.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -35.48 78.35 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.349 1.86 . . . . 1.0 113.047 170.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.72 46.73 1.02 Allowed Glycine 0 CA--C 1.543 1.806 0 C-N-CA 127.597 2.522 . . . . 1.0 115.723 171.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.8 mt -124.57 159.34 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 C-N-CA 129.213 3.005 . . . . 1.0 110.785 -175.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.6 t -148.32 163.61 36.55 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.592 1.557 . . . . 1.0 114.543 -171.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -17.87 24.09 Favored 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 116.267 1.951 . . . . 1.0 116.267 178.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -73.41 -30.73 63.43 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 128.22 2.608 . . . . 1.0 112.323 171.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -86.36 -48.32 8.57 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.253 2.621 . . . . 1.0 112.861 175.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -55.05 -38.28 67.79 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.913 1.285 . . . . 1.0 113.797 -175.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -62.84 -12.36 24.16 Favored 'General case' 0 CA--C 1.559 1.311 0 C-N-CA 126.816 2.046 . . . . 1.0 115.39 170.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -101.12 -50.79 3.69 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 128.758 2.823 . . . . 1.0 110.574 173.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -50.92 -43.24 59.92 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 126.665 1.986 . . . . 1.0 114.197 171.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.24 -12.05 60.45 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 127.186 2.194 . . . . 1.0 116.434 172.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 45.46 48.39 11.74 Favored Glycine 0 N--CA 1.479 1.544 0 C-N-CA 125.186 1.374 . . . . 1.0 110.58 -168.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.42 132.61 8.0 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 125.811 1.644 . . . . 1.0 113.23 -168.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -69.75 92.01 0.51 Allowed 'Trans proline' 0 CA--C 1.546 1.095 0 C-N-CA 123.592 2.861 . . . . 1.0 110.918 172.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.9 m -114.26 159.43 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 127.388 2.275 . . . . 1.0 110.589 172.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -132.67 -26.49 1.79 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.512 1.125 . . . . 1.0 112.815 169.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 p -123.12 178.12 5.24 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 127.963 2.505 . . . . 1.0 113.408 -172.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -93.08 161.16 32.01 Favored Pre-proline 0 N--CA 1.486 1.341 0 C-N-CA 127.372 2.269 . . . . 1.0 111.426 170.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.61 165.79 82.43 Favored 'Cis proline' 0 CA--C 1.55 1.316 0 N-CA-C 115.087 1.149 . . . . 1.0 115.087 1.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -138.41 81.19 1.84 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 127.79 2.436 . . . . 1.0 110.912 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 59.7 mt -113.63 151.98 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.215 0 C-N-CA 127.833 2.453 . . . . 1.0 113.405 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -133.48 104.73 6.54 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.029 2.132 . . . . 1.0 109.471 -175.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.5 t -89.06 124.6 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 C-N-CA 126.115 1.766 . . . . 1.0 109.589 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.447 0.0 OUTLIER 40.94 45.7 2.25 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 127.639 2.375 . . . . 1.0 113.023 -170.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 71.32 4.21 4.97 Favored 'General case' 0 CA--C 1.564 1.507 0 C-N-CA 130.23 3.412 . . . . 1.0 117.688 -177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.13 132.25 43.1 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 127.765 2.426 . . . . 1.0 111.131 173.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -59.26 107.26 0.53 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 121.029 -1.044 . . . . 1.0 113.171 175.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.8 mm -122.44 89.52 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 C-N-CA 128.103 2.561 . . . . 1.0 105.484 169.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.18 -55.75 0.01 OUTLIER Glycine 0 CA--C 1.539 1.567 0 C-N-CA 129.247 3.308 . . . . 1.0 118.212 -170.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.31 -144.15 15.69 Favored Glycine 0 CA--C 1.528 0.875 0 C-N-CA 127.791 2.615 . . . . 1.0 111.517 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -30.39 -43.32 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.481 0 C-N-CA 128.378 2.671 . . . . 1.0 116.097 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 t -64.66 -63.8 1.03 Allowed 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 126.815 2.046 . . . . 1.0 115.13 169.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.76 -55.13 36.85 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 128.751 2.82 . . . . 1.0 114.192 176.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -51.72 -39.95 59.32 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 129.631 3.172 . . . . 1.0 113.389 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.38 67.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.176 1.39 . . . . 1.0 113.117 171.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.04 90.59 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.735 1.214 . . . . 1.0 112.346 175.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -56.06 -54.37 45.83 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 126.569 1.947 . . . . 1.0 113.44 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 91.5 t -61.17 -46.7 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 C-N-CA 124.214 1.006 . . . . 1.0 112.544 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.5 ttmm -58.45 -52.02 67.41 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.914 1.285 . . . . 1.0 113.134 174.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.84 -12.09 9.83 Favored 'General case' 0 N--CA 1.491 1.597 0 N-CA-C 115.461 1.652 . . . . 1.0 115.461 171.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -97.74 -52.96 3.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 120.87 1.668 . . . . 1.0 111.782 171.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 27.1 mt -85.98 -30.07 23.03 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.359 1.985 . . . . 1.0 116.359 -172.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.62 6.85 42.24 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 126.649 1.98 . . . . 1.0 114.26 174.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 1.135 0 C-N-CA 126.981 2.112 . . . . 1.0 113.574 173.818 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 108.473 -1.851 . . . . 1.0 108.473 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -141.16 102.27 4.2 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 118.835 1.318 . . . . 1.0 109.733 167.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -141.77 116.48 9.75 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.991 3.716 . . . . 1.0 105.653 169.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -153.42 144.04 22.59 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 119.08 2.993 . . . . 1.0 119.08 -169.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -137.56 95.12 3.01 Favored 'General case' 0 CA--C 1.561 1.389 0 C-N-CA 129.565 3.146 . . . . 1.0 110.046 173.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.48 101.82 11.48 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 126.899 2.08 . . . . 1.0 109.692 -176.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -100.7 85.71 2.97 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.687 1.995 . . . . 1.0 114.399 -168.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.91 121.06 20.37 Favored 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 125.639 1.576 . . . . 1.0 112.56 171.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -148.03 96.81 2.7 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.183 1.793 . . . . 1.0 112.977 171.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 66.8 t -56.01 -48.43 96.76 Favored Pre-proline 0 N--CA 1.497 1.923 0 C-N-CA 125.1 1.36 . . . . 1.0 111.633 171.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -84.22 87.35 1.16 Allowed 'Trans proline' 0 CA--C 1.55 1.303 0 C-N-CA 123.293 2.662 . . . . 1.0 108.907 168.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 85.0 p -88.37 103.29 15.69 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 124.459 2.076 . . . . 1.0 110.414 -172.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 1.1 mp -140.06 120.14 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 CA-C-N 113.149 -1.841 . . . . 1.0 113.745 -168.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -166.99 96.0 0.5 Allowed 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 131.071 3.748 . . . . 1.0 104.859 166.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -129.67 93.68 3.58 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 105.005 -2.22 . . . . 1.0 105.005 173.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -161.22 -1.01 0.05 Allowed 'General case' 0 CA--C 1.56 1.331 0 N-CA-C 115.221 1.563 . . . . 1.0 115.221 -169.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 124.21 93.46 1.03 Allowed Glycine 0 N--CA 1.48 1.578 0 C-N-CA 126.796 2.141 . . . . 1.0 112.306 -171.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.3 t -163.48 112.68 1.28 Allowed 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 127.354 2.261 . . . . 1.0 111.357 -170.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -126.12 129.89 49.96 Favored 'General case' 0 N--CA 1.495 1.801 0 C-N-CA 126.574 1.95 . . . . 1.0 114.059 -172.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.67 167.52 1.17 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 127.652 2.381 . . . . 1.0 115.453 170.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.94 -13.85 3.34 Favored Glycine 0 N--CA 1.485 1.962 0 N-CA-C 119.864 2.706 . . . . 1.0 119.864 168.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 50.19 34.89 9.26 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 119.679 1.74 . . . . 1.0 114.584 170.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.29 144.04 51.87 Favored 'General case' 0 CA--C 1.561 1.387 0 C-N-CA 126.725 2.01 . . . . 1.0 115.197 -168.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 179.79 172.61 0.98 Allowed 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 130.712 3.605 . . . . 1.0 112.195 -171.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 N--CA 1.495 1.799 0 C-N-CA 128.466 2.706 . . . . 1.0 114.147 171.487 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.446 ' HA ' ' OD1' ' A' ' 65' ' ' ASP . 4.3 ttm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.025 -0.036 . . . . 1.0 111.015 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.54 111.41 17.64 Favored 'General case' 0 N--CA 1.49 1.561 0 C-N-CA 124.262 1.025 . . . . 1.0 113.039 -177.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 72.5 m -110.05 116.06 30.89 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 125.915 1.686 . . . . 1.0 112.446 -170.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.8 t -109.78 117.53 54.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.31 0 C-N-CA 127.419 2.288 . . . . 1.0 110.979 -175.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.3 mp -106.97 123.43 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 127.132 2.173 . . . . 1.0 112.228 -173.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -101.09 101.8 12.63 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.478 1.911 . . . . 1.0 112.949 -174.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.75 69.47 1.4 Allowed Glycine 0 CA--C 1.534 1.224 0 N-CA-C 118.108 2.003 . . . . 1.0 118.108 170.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -61.13 -46.0 92.36 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 126.804 2.041 . . . . 1.0 113.352 171.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 37.3 t -65.56 108.72 2.12 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 128.817 2.847 . . . . 1.0 114.047 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.59 -4.32 23.08 Favored Glycine 0 CA--C 1.542 1.734 0 C-N-CA 126.681 2.086 . . . . 1.0 118.013 171.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 p -148.51 122.52 4.79 Favored Pre-proline 0 CA--C 1.563 1.46 0 CA-C-N 120.275 2.038 . . . . 1.0 114.466 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -65.34 -32.45 50.63 Favored 'Trans proline' 0 C--N 1.361 1.21 0 C-N-CA 124.421 3.414 . . . . 1.0 114.796 -173.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -58.5 -38.92 78.69 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.244 1.417 . . . . 1.0 112.259 172.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.7 t -67.73 -43.81 79.07 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 125.952 1.701 . . . . 1.0 113.553 170.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 92.4 t -54.08 -53.97 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 CA-C-O 117.673 -1.156 . . . . 1.0 111.569 172.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.6 mtp85 -59.16 -44.44 92.12 Favored 'General case' 0 N--CA 1.489 1.503 0 CA-C-N 119.272 0.942 . . . . 1.0 112.243 175.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.31 77.62 Favored 'General case' 0 CA--C 1.557 1.248 0 C-N-CA 124.166 0.986 . . . . 1.0 113.496 175.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -61.4 2.53 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.925 1.29 . . . . 1.0 111.459 170.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.85 -39.15 58.4 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 126.986 2.114 . . . . 1.0 114.258 -177.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -58.27 -45.43 87.88 Favored 'General case' 0 CA--C 1.558 1.271 0 C-N-CA 126.283 1.833 . . . . 1.0 112.626 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.8 95.55 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.158 1.383 . . . . 1.0 112.926 170.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -59.98 -46.37 89.66 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.025 -1.047 . . . . 1.0 112.998 171.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -53.08 -52.91 57.08 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 126.509 1.924 . . . . 1.0 112.365 171.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.85 -41.96 92.59 Favored 'General case' 0 CA--C 1.559 1.3 0 C-N-CA 125.285 1.434 . . . . 1.0 112.999 174.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.2 t -61.6 -37.63 84.61 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 114.794 1.405 . . . . 1.0 114.794 172.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -41.59 97.41 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 125.373 1.469 . . . . 1.0 112.073 169.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -75.75 -34.36 60.27 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 128.514 2.725 . . . . 1.0 115.949 -172.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 46.3 mtt180 -114.94 168.01 10.29 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 116.189 1.922 . . . . 1.0 116.189 -169.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 p-10 -77.33 -52.0 9.9 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 127.447 2.299 . . . . 1.0 112.514 170.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -76.67 -18.09 58.76 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 128.565 2.746 . . . . 1.0 118.049 -172.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -95.14 112.62 24.3 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 114.703 1.371 . . . . 1.0 114.703 -168.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 -126.23 133.66 51.43 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 127.834 2.454 . . . . 1.0 112.412 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . 0.288 0.1 OUTLIER -114.58 140.25 48.94 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 117.189 2.292 . . . . 1.0 117.189 -170.286 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -126.67 134.29 50.75 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 127.306 2.242 . . . . 1.0 110.215 175.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -114.59 123.37 49.18 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.016 1.726 . . . . 1.0 112.544 177.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.4 t -116.84 115.72 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 128.921 2.889 . . . . 1.0 111.103 -177.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.71 94.28 1.01 Allowed 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 116.035 1.865 . . . . 1.0 116.035 172.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.3 pp -60.48 -43.07 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.405 -1.435 . . . . 1.0 112.159 172.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 -68.85 -4.6 16.91 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.392 2.277 . . . . 1.0 115.12 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.64 -26.9 2.19 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 117.14 2.274 . . . . 1.0 117.14 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.42 -10.72 59.81 Favored 'General case' 0 N--CA 1.491 1.578 0 CA-C-N 120.68 1.582 . . . . 1.0 113.291 169.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.21 56.35 1.71 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 127.504 2.478 . . . . 1.0 113.854 177.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.6 mt -134.5 148.22 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 127.523 2.329 . . . . 1.0 111.924 -174.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.5 t -143.26 165.81 26.44 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 127.652 2.381 . . . . 1.0 112.403 -175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.05 -27.66 8.52 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.673 1.989 . . . . 1.0 115.784 174.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -67.8 -42.0 82.27 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.654 1.981 . . . . 1.0 112.188 173.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -67.89 -52.5 35.72 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.943 1.697 . . . . 1.0 110.976 170.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.9 mt -54.92 -45.5 74.78 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.575 1.55 . . . . 1.0 114.496 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.2 pt20 -61.2 -19.65 61.86 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 114.885 1.439 . . . . 1.0 114.885 172.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -89.74 -54.95 3.83 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 127.488 2.315 . . . . 1.0 111.961 170.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -46.16 -45.98 16.99 Favored 'General case' 0 N--CA 1.493 1.725 0 C-N-CA 127.514 2.326 . . . . 1.0 113.474 171.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.03 -14.02 60.56 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 116.738 2.125 . . . . 1.0 116.738 174.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 43.95 42.28 6.4 Favored Glycine 0 CA--C 1.539 1.578 0 C-N-CA 126.007 1.765 . . . . 1.0 112.584 -169.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.97 132.65 14.96 Favored Pre-proline 0 CA--C 1.548 0.889 0 C-N-CA 126.97 2.108 . . . . 1.0 111.015 -169.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.54 67.83 2.17 Favored 'Trans proline' 0 CA--C 1.551 1.355 0 C-N-CA 124.137 3.225 . . . . 1.0 114.298 -178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG22 ' HB3' ' A' ' 49' ' ' GLN . 2.1 m -90.66 165.32 1.98 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 C-N-CA 126.768 2.027 . . . . 1.0 112.702 175.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -135.99 -50.37 0.7 Allowed 'General case' 0 N--CA 1.49 1.545 0 C-N-CA 125.329 1.451 . . . . 1.0 111.278 168.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 71.7 p -105.54 -177.19 3.29 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 126.738 2.015 . . . . 1.0 115.234 -174.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -95.36 155.03 39.23 Favored Pre-proline 0 N--CA 1.495 1.817 0 C-N-CA 127.477 2.311 . . . . 1.0 112.615 177.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -71.74 169.05 71.69 Favored 'Cis proline' 0 CA--C 1.543 0.939 0 N-CA-C 115.005 1.117 . . . . 1.0 115.005 8.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -144.02 96.63 2.92 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.904 2.081 . . . . 1.0 110.313 171.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.3 mt -117.26 153.43 19.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 C-N-CA 128.852 2.861 . . . . 1.0 113.831 178.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -128.3 107.05 9.45 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.987 2.115 . . . . 1.0 109.629 174.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 50.8 t -90.87 127.08 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 C-N-CA 126.265 1.826 . . . . 1.0 109.496 174.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' OD1' ' HA ' ' A' ' 1' ' ' MET 0.45 0.0 OUTLIER 45.87 39.99 6.09 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 126.396 1.879 . . . . 1.0 114.498 -169.112 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 64.34 6.72 3.17 Favored 'General case' 0 CA--C 1.568 1.672 0 C-N-CA 129.071 2.948 . . . . 1.0 115.955 -173.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -92.23 138.04 31.86 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 128.651 2.78 . . . . 1.0 111.16 171.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -61.43 108.63 0.98 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.489 -1.382 . . . . 1.0 113.158 175.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.7 mm -127.98 96.37 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 127.842 2.457 . . . . 1.0 106.453 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -21.91 -55.13 0.02 OUTLIER Glycine 0 CA--C 1.545 1.925 0 C-N-CA 128.77 3.081 . . . . 1.0 119.046 -170.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 131.22 -139.83 11.27 Favored Glycine 0 N--CA 1.476 1.323 0 C-N-CA 128.014 2.721 . . . . 1.0 112.958 -177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -31.5 -40.61 0.04 OUTLIER 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 128.602 2.761 . . . . 1.0 116.35 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.484 ' HB ' ' H ' ' B' ' 143' ' ' SER . 0.0 OUTLIER -67.43 -65.01 0.74 Allowed 'General case' 0 N--CA 1.5 2.07 0 C-N-CA 126.936 2.095 . . . . 1.0 113.939 168.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.35 -48.06 58.16 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 131.637 3.975 . . . . 1.0 113.11 -168.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -54.2 -48.44 71.0 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 130.63 3.572 . . . . 1.0 113.394 171.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.56 -52.94 61.45 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.176 1.79 . . . . 1.0 112.674 172.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.79 -43.28 65.77 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.85 1.26 . . . . 1.0 113.568 171.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 49.4 t90 -60.18 -53.62 55.54 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.374 2.27 . . . . 1.0 113.61 170.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.2 t -50.94 -47.87 29.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 C-N-CA 124.597 1.159 . . . . 1.0 111.491 172.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -60.57 -39.12 86.85 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.717 2.007 . . . . 1.0 114.322 173.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -62.91 -12.38 24.82 Favored 'General case' 0 N--CA 1.494 1.747 0 C-N-CA 126.546 1.938 . . . . 1.0 113.846 168.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -103.25 -60.64 1.52 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 126.729 2.012 . . . . 1.0 113.624 169.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 23.3 mt -72.23 -28.64 63.29 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 127.012 2.125 . . . . 1.0 115.76 -172.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -109.27 6.65 24.76 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.168 1.787 . . . . 1.0 115.17 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.432 0 N-CA-C 117.724 2.49 . . . . 1.0 117.724 -170.665 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.982 0 N-CA-C 105.073 -3.211 . . . . 1.0 105.073 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.54 101.94 4.34 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 106.187 -1.783 . . . . 1.0 106.187 167.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.28 118.36 10.68 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.816 2.447 . . . . 1.0 111.541 -174.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -129.48 142.34 50.8 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 114.287 1.217 . . . . 1.0 114.287 -174.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -142.88 95.37 2.76 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 128.108 2.563 . . . . 1.0 109.514 170.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.67 143.18 35.15 Favored 'General case' 0 N--CA 1.486 1.371 0 N-CA-C 116.246 1.943 . . . . 1.0 116.246 -168.559 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -131.24 94.53 3.59 Favored 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 125.992 1.717 . . . . 1.0 113.909 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -95.76 107.75 20.0 Favored 'General case' 0 CA--C 1.55 0.971 0 CA-C-O 123.656 1.694 . . . . 1.0 112.937 171.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -143.53 95.54 2.76 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 128.51 2.724 . . . . 1.0 109.522 174.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 22.0 t -52.52 -51.61 71.38 Favored Pre-proline 0 N--CA 1.495 1.813 0 C-N-CA 125.156 1.382 . . . . 1.0 111.165 173.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -75.09 74.38 4.07 Favored 'Trans proline' 0 CA--C 1.552 1.419 0 C-N-CA 123.089 2.526 . . . . 1.0 109.885 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 65.1 p -87.58 102.59 14.75 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-O 122.472 1.13 . . . . 1.0 110.231 -171.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 2.8 mp -128.56 103.11 9.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 128.6 2.76 . . . . 1.0 108.634 -175.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.9 94.77 2.39 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.75 2.02 . . . . 1.0 106.593 168.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -142.84 93.16 2.48 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 124.707 1.203 . . . . 1.0 109.266 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -163.75 -3.64 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 116.433 2.012 . . . . 1.0 116.433 -170.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 145.62 92.44 0.13 Allowed Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.469 1.033 . . . . 1.0 115.233 -176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . 0.484 ' H ' ' HB ' ' A' ' 73' ' ' THR . 5.1 t -168.89 140.86 2.61 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.363 1.865 . . . . 1.0 111.498 169.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -123.9 110.5 14.92 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 127.463 2.305 . . . . 1.0 109.578 175.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 8.7 t -155.41 153.78 30.91 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 126.531 1.932 . . . . 1.0 114.816 172.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 135.84 -10.02 4.24 Favored Glycine 0 CA--C 1.535 1.33 0 C-N-CA 127.298 2.38 . . . . 1.0 117.385 169.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 49.65 36.36 10.49 Favored 'General case' 0 CA--C 1.561 1.401 0 CA-C-N 120.033 1.916 . . . . 1.0 115.534 169.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.36 137.1 50.26 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 126.331 1.852 . . . . 1.0 113.463 -169.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -179.55 173.21 1.08 Allowed 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 130.528 3.531 . . . . 1.0 111.574 -172.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.492 1.646 0 C-N-CA 128.97 2.908 . . . . 1.0 114.232 172.853 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ttm . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 119.091 -0.48 . . . . 1.0 111.104 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -106.56 118.87 37.79 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.167 1.787 . . . . 1.0 113.11 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.0 m -112.17 110.23 20.37 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.42 -1.425 . . . . 1.0 111.242 177.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -110.03 119.1 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 126.69 1.996 . . . . 1.0 111.033 -174.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.429 HG21 ' HB2' ' A' ' 18' ' ' LYS . 3.7 mp -116.04 132.62 65.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 C-N-CA 126.265 1.826 . . . . 1.0 113.171 -170.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -109.95 97.7 7.16 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 126.613 1.965 . . . . 1.0 114.103 -172.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.03 87.95 1.14 Allowed Glycine 0 CA--C 1.548 2.141 0 N-CA-C 119.783 2.673 . . . . 1.0 119.783 170.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -68.41 -45.97 71.21 Favored 'General case' 0 N--CA 1.498 1.939 0 C-N-CA 125.641 1.577 . . . . 1.0 112.091 168.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -61.61 98.02 0.08 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 128.784 2.834 . . . . 1.0 115.568 -169.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 142.02 -27.21 2.31 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 126.739 2.114 . . . . 1.0 117.521 170.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -149.65 135.57 10.18 Favored Pre-proline 0 CA--C 1.56 1.354 0 CA-C-N 119.752 1.776 . . . . 1.0 115.263 -170.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -66.2 -32.44 42.5 Favored 'Trans proline' 0 C--N 1.358 1.059 0 C-N-CA 123.944 3.096 . . . . 1.0 115.703 -170.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.97 -41.9 73.86 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 125.292 1.437 . . . . 1.0 111.839 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.9 t -60.54 -42.97 97.61 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 125.527 1.531 . . . . 1.0 112.78 170.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.0 t -55.3 -54.19 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.42 0 C-N-CA 124.15 0.98 . . . . 1.0 110.718 169.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . 0.254 36.6 mtm-85 -59.23 -39.15 81.84 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.695 1.198 . . . . 1.0 113.177 178.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.74 70.48 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.339 1.455 . . . . 1.0 113.582 171.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HB2' HG21 ' A' ' 5' ' ' ILE . 0.4 OUTLIER -65.4 -54.71 24.77 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 125.129 1.372 . . . . 1.0 113.039 170.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -51.14 -39.42 56.26 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 126.736 2.014 . . . . 1.0 113.404 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mp -55.38 -43.26 74.98 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.61 1.964 . . . . 1.0 114.112 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.79 -42.51 99.74 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.065 1.346 . . . . 1.0 113.74 171.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -63.21 -41.87 99.21 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 126.114 1.765 . . . . 1.0 113.683 171.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -53.51 -50.47 65.35 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 129.452 3.101 . . . . 1.0 111.481 169.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.87 -44.18 93.85 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.683 1.993 . . . . 1.0 114.386 170.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t -66.04 -32.3 73.69 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 115.294 1.59 . . . . 1.0 115.294 -178.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -68.4 -45.33 72.93 Favored 'General case' 0 CA--C 1.555 1.156 0 CA-C-N 119.031 0.832 . . . . 1.0 110.869 168.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.73 -27.96 69.26 Favored 'General case' 0 CA--C 1.557 1.228 0 C-N-CA 128.371 2.668 . . . . 1.0 114.065 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -138.98 148.32 43.34 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 126.796 2.039 . . . . 1.0 115.416 -170.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -79.78 -36.61 36.83 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.395 1.257 . . . . 1.0 114.395 175.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -58.06 -30.37 66.13 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 128.047 2.539 . . . . 1.0 114.901 170.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -95.28 97.35 9.8 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-O 122.792 1.282 . . . . 1.0 112.831 -168.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -96.44 124.3 40.39 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 130.162 3.385 . . . . 1.0 108.65 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.34 136.95 54.53 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.419 -1.426 . . . . 1.0 113.315 -172.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -129.64 131.17 46.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.566 1.946 . . . . 1.0 110.355 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -115.98 123.57 48.35 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.288 1.035 . . . . 1.0 112.279 174.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -122.59 116.71 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 128.835 2.854 . . . . 1.0 110.161 -175.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.59 151.39 39.4 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 120.325 -1.484 . . . . 1.0 111.563 169.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . 0.294 2.4 pp -118.65 -53.77 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 CA-C-N 114.272 -1.331 . . . . 1.0 111.163 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.1 ttt85 -56.84 -40.86 76.84 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.954 1.252 . . . . 1.0 113.316 172.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.33 -31.45 33.46 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 115.685 1.735 . . . . 1.0 115.685 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.84 -14.82 43.84 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.022 1.729 . . . . 1.0 114.848 170.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.89 5.37 29.18 Favored Glycine 0 N--CA 1.489 2.229 0 C-N-CA 128.476 2.941 . . . . 1.0 117.931 171.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.7 mt -94.67 162.08 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 130.744 3.618 . . . . 1.0 110.985 -175.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.8 t -148.81 169.21 20.99 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.195 1.398 . . . . 1.0 114.583 -171.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -43.24 -47.82 6.53 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 127.107 2.163 . . . . 1.0 111.811 169.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 mp0 -60.63 -26.39 66.99 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 127.395 2.278 . . . . 1.0 113.33 -177.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -83.13 -51.75 7.23 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.016 2.127 . . . . 1.0 111.042 169.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.8 mt -54.09 -44.21 71.0 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 126.785 2.034 . . . . 1.0 113.859 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -56.26 -31.98 64.09 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.894 1.677 . . . . 1.0 113.982 171.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -80.86 -45.54 16.68 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 126.23 1.812 . . . . 1.0 112.259 176.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -63.63 -30.05 71.21 Favored 'General case' 0 N--CA 1.495 1.794 0 C-N-CA 125.142 1.377 . . . . 1.0 113.83 170.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.33 -21.41 27.28 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.744 2.018 . . . . 1.0 116.006 172.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 64.26 -23.52 0.09 OUTLIER Glycine 0 CA--C 1.551 2.343 0 C-N-CA 126.982 2.23 . . . . 1.0 115.967 -169.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 44.5 tptt -63.61 132.55 95.22 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 128.779 2.832 . . . . 1.0 111.44 173.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -75.68 66.46 6.6 Favored 'Trans proline' 0 CA--C 1.553 1.439 0 C-N-CA 123.211 2.607 . . . . 1.0 114.117 175.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.7 m -67.42 152.46 9.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 126.555 1.942 . . . . 1.0 112.502 173.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.489 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 26.7 tp10 -118.41 -33.33 4.37 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 126.435 1.894 . . . . 1.0 114.53 173.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.8 p -138.45 -178.23 5.2 Favored 'General case' 0 N--CA 1.496 1.846 0 C-N-CA 127.315 2.246 . . . . 1.0 114.55 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.437 HG21 ' HB2' ' B' ' 148' ' ' CYS . 0.0 OUTLIER -81.27 158.53 69.28 Favored Pre-proline 0 N--CA 1.49 1.565 0 C-N-CA 127.094 2.158 . . . . 1.0 112.581 170.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -73.45 164.55 86.88 Favored 'Cis proline' 0 C--N 1.355 0.91 0 N-CA-C 115.296 1.229 . . . . 1.0 115.296 7.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -140.34 87.39 2.13 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.319 1.847 . . . . 1.0 110.906 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.3 mt -111.16 151.65 13.26 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.071 0 C-N-CA 127.215 2.206 . . . . 1.0 113.114 179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -129.32 94.7 3.85 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.444 2.298 . . . . 1.0 109.715 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.3 t -77.96 131.74 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 124.75 1.22 . . . . 1.0 109.431 172.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 4.5 m-20 43.62 29.75 0.3 Allowed 'General case' 0 CA--C 1.555 1.171 0 C-N-CA 129.479 3.112 . . . . 1.0 114.998 -169.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.261 45.2 mt-30 70.66 32.67 2.5 Favored 'General case' 0 CA--C 1.56 1.348 0 C-N-CA 128.974 2.91 . . . . 1.0 114.851 -174.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.38 136.05 50.38 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 129.198 2.999 . . . . 1.0 109.743 171.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -60.03 112.69 1.98 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.096 -1.628 . . . . 1.0 114.085 -176.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.1 mm -125.73 104.85 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 128.282 2.633 . . . . 1.0 105.961 169.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -21.64 -62.51 0.02 OUTLIER Glycine 0 N--CA 1.48 1.594 0 C-N-CA 127.627 2.536 . . . . 1.0 116.601 -170.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.79 -149.75 20.31 Favored Glycine 0 C--O 1.221 -0.692 0 C-N-CA 127.794 2.616 . . . . 1.0 110.989 -177.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -31.25 -55.42 0.24 Allowed 'General case' 0 N--CA 1.49 1.532 0 C-N-CA 126.47 1.908 . . . . 1.0 113.403 -169.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.2 t -46.01 -61.95 1.53 Allowed 'General case' 0 N--CA 1.494 1.728 0 C-N-CA 128.129 2.572 . . . . 1.0 116.382 170.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.77 -49.55 67.93 Favored 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 128.807 2.843 . . . . 1.0 112.525 173.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -51.78 -49.06 63.44 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 129.985 3.314 . . . . 1.0 114.0 177.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.47 -53.06 62.37 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.826 1.651 . . . . 1.0 112.323 171.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.66 -43.72 72.63 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.731 1.212 . . . . 1.0 113.102 172.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -58.32 -51.96 67.62 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 126.408 1.883 . . . . 1.0 113.848 171.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.9 t -53.16 -52.39 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 CA-C-N 119.535 1.061 . . . . 1.0 111.61 172.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -58.89 -51.7 68.89 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 127.496 2.319 . . . . 1.0 112.968 177.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -59.51 -12.2 5.95 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 127.326 2.25 . . . . 1.0 115.6 171.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -102.74 -58.74 1.82 Allowed 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 127.313 2.245 . . . . 1.0 114.922 169.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.9 mt -78.93 -27.42 43.7 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 127.278 2.231 . . . . 1.0 116.214 -175.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -100.92 4.56 42.72 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.009 1.724 . . . . 1.0 114.961 172.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 1.125 0 C-N-CA 130.464 3.506 . . . . 1.0 117.151 -170.723 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.127 0 N-CA-C 107.279 -2.328 . . . . 1.0 107.279 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -139.22 104.07 4.91 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 105.497 -2.038 . . . . 1.0 105.497 167.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -140.62 154.06 46.3 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.948 1.699 . . . . 1.0 113.839 -172.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -152.98 144.16 23.13 Favored 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 127.121 2.169 . . . . 1.0 111.804 -173.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -126.94 122.59 35.01 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 126.25 1.82 . . . . 1.0 110.882 170.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -128.37 129.0 45.57 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.708 2.003 . . . . 1.0 112.432 -176.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -99.23 133.03 44.11 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 126.812 2.045 . . . . 1.0 112.44 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -138.13 143.44 40.35 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 126.332 1.853 . . . . 1.0 114.688 -171.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.54 93.53 2.68 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.319 1.447 . . . . 1.0 109.111 168.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 11.1 p -63.51 -28.53 3.43 Favored Pre-proline 0 N--CA 1.483 1.179 0 N-CA-C 117.061 2.245 . . . . 1.0 117.061 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -100.85 -13.91 0.16 Allowed 'Trans proline' 0 C--N 1.367 1.543 0 C-N-CA 122.925 2.417 . . . . 1.0 117.327 -173.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 7.4 t -152.75 108.37 3.3 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 119.385 3.106 . . . . 1.0 119.385 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 3.4 mp -126.33 51.4 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 C-N-CA 127.838 2.455 . . . . 1.0 107.641 167.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -51.45 134.55 28.71 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 131.279 3.831 . . . . 1.0 115.328 -173.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.11 94.69 7.68 Favored 'General case' 0 CA--C 1.557 1.248 0 N-CA-C 108.766 -0.828 . . . . 1.0 108.766 170.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -163.11 -119.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 125.936 1.694 . . . . 1.0 112.435 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -56.28 5.2 0.02 OUTLIER Glycine 0 CA--C 1.558 2.739 0 N-CA-C 119.762 2.665 . . . . 1.0 119.762 -178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.5 t -46.71 100.68 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 1 C-N-CA 132.372 4.269 . . . . 1.0 116.951 -172.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.7 2.8 41.81 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 120.615 3.561 . . . . 1.0 120.615 -169.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 2.2 t -135.93 175.38 9.65 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 116.946 2.202 . . . . 1.0 116.946 -175.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 163.85 -9.84 0.08 OUTLIER Glycine 0 N--CA 1.482 1.758 0 N-CA-C 118.751 2.26 . . . . 1.0 118.751 178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 57.42 17.96 4.14 Favored 'General case' 0 CA--C 1.565 1.544 0 N-CA-C 118.524 2.787 . . . . 1.0 118.524 173.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . 0.437 ' HB2' HG21 ' A' ' 59' ' ' VAL . 1.7 m -70.41 114.97 9.05 Favored 'General case' 0 CA--C 1.559 1.326 0 C-N-CA 126.788 2.035 . . . . 1.0 111.425 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -179.49 175.82 0.87 Allowed 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 126.911 2.085 . . . . 1.0 114.727 -174.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 2.3 tp . . . . . 0 N--CA 1.487 1.42 0 C-N-CA 129.376 3.07 . . . . 1.0 113.224 173.432 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.48 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.182 0 CA-C-O 121.054 0.454 . . . . 1.0 111.063 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.9 tm0? -119.25 121.43 39.63 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 129.061 2.945 . . . . 1.0 112.036 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 m -121.78 121.02 36.3 Favored 'General case' 0 N--CA 1.488 1.474 0 C-N-CA 126.103 1.761 . . . . 1.0 111.638 -172.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.6 t -118.04 131.26 71.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 126.534 1.934 . . . . 1.0 111.781 -172.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.5 mp -120.41 122.03 67.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 125.833 1.653 . . . . 1.0 112.54 -171.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -105.86 105.88 16.13 Favored 'General case' 0 CA--C 1.552 1.035 0 C-N-CA 126.618 1.967 . . . . 1.0 113.432 -172.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.81 70.08 1.35 Allowed Glycine 0 N--CA 1.483 1.808 0 C-N-CA 126.319 1.914 . . . . 1.0 116.623 177.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -79.89 -53.04 7.14 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 127.667 2.387 . . . . 1.0 114.126 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -63.71 24.37 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 130.592 3.557 . . . . 1.0 118.054 -171.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -130.71 -32.8 0.5 Allowed Glycine 0 CA--C 1.543 1.841 0 C-N-CA 126.504 2.002 . . . . 1.0 117.156 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.3 p -140.51 142.35 28.8 Favored Pre-proline 0 CA--C 1.555 1.156 0 C-N-CA 127.023 2.129 . . . . 1.0 115.621 -172.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -61.3 -41.89 38.78 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 124.41 3.407 . . . . 1.0 115.134 -172.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -68.39 -38.07 80.96 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 120.878 1.672 . . . . 1.0 113.25 177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.499 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.7 t -58.06 -40.69 81.64 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 119.286 0.948 . . . . 1.0 111.559 171.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 69.8 t -61.06 -52.11 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-O 116.755 -1.593 . . . . 1.0 110.086 171.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' B' ' 140' ' ' ASP . 0.0 OUTLIER -54.58 -41.9 70.42 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.26 1.824 . . . . 1.0 112.295 176.43 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.02 83.7 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.109 2.564 . . . . 1.0 112.818 176.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -63.78 -52.11 61.79 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.25 1.42 . . . . 1.0 112.018 171.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.41 -41.66 29.81 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 128.145 2.578 . . . . 1.0 113.172 172.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.43 HD22 ' CD2' ' A' ' 72' ' ' TYR . 3.4 mp -59.62 -47.31 86.08 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 127.285 2.234 . . . . 1.0 113.999 171.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -44.96 96.2 Favored 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 123.906 0.883 . . . . 1.0 111.723 171.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -58.94 -43.52 91.21 Favored 'General case' 0 CA--C 1.557 1.232 0 C-N-CA 126.967 2.107 . . . . 1.0 113.338 171.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -54.38 -55.11 31.92 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 131.59 3.956 . . . . 1.0 111.537 172.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.39 -48.46 81.65 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.677 1.991 . . . . 1.0 111.796 172.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.7 t -53.71 -45.91 70.58 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 127.328 2.251 . . . . 1.0 114.8 173.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.42 -43.26 86.22 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.463 1.905 . . . . 1.0 113.229 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -64.39 -51.25 64.19 Favored 'General case' 0 CA--C 1.557 1.231 0 C-N-CA 126.803 2.041 . . . . 1.0 112.356 176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.49 177.74 6.48 Favored 'General case' 0 N--CA 1.492 1.629 0 C-N-CA 129.11 2.964 . . . . 1.0 114.273 -174.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -117.6 -22.14 8.23 Favored 'General case' 0 CA--C 1.555 1.139 0 C-N-CA 127.949 2.5 . . . . 1.0 114.656 172.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -95.37 -19.81 19.63 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 118.049 2.611 . . . . 1.0 118.049 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -96.9 129.05 44.4 Favored 'General case' 0 C--N 1.312 -1.034 0 C-N-CA 128.186 2.594 . . . . 1.0 110.894 -171.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -116.36 130.94 57.03 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 128.383 2.673 . . . . 1.0 110.544 -173.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.1 136.13 54.67 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 127.515 2.326 . . . . 1.0 113.682 -176.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -130.03 133.5 46.78 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 127.584 2.353 . . . . 1.0 111.157 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -111.63 123.89 51.16 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.675 1.59 . . . . 1.0 112.769 173.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.9 t -122.73 115.0 44.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 126.926 2.09 . . . . 1.0 112.603 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.686 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.263 0.0 OUTLIER -71.86 102.47 2.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.817 1.414 . . . . 1.0 114.817 171.358 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.7 pp -73.66 -39.48 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 O-C-N 120.236 -1.54 . . . . 1.0 111.735 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -65.19 -24.7 67.44 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 125.307 1.443 . . . . 1.0 113.478 172.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -101.9 -43.88 5.67 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 124.852 1.261 . . . . 1.0 114.074 -178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -63.56 -35.4 80.37 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.282 1.433 . . . . 1.0 112.928 172.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.52 35.64 0.98 Allowed Glycine 0 N--CA 1.491 2.306 0 C-N-CA 126.861 2.172 . . . . 1.0 117.233 172.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.9 mt -124.75 160.3 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 130.389 3.475 . . . . 1.0 111.881 -171.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -140.01 168.14 20.49 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 126.874 2.07 . . . . 1.0 114.129 -171.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -32.84 62.77 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 113.762 1.023 . . . . 1.0 113.762 173.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 55.5 mp0 -62.28 -36.83 83.29 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 127.348 2.259 . . . . 1.0 112.867 177.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.12 -51.1 16.67 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 126.939 2.096 . . . . 1.0 110.765 172.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.1 mt -59.07 -49.14 79.02 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 125.714 1.606 . . . . 1.0 113.439 -178.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.629 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.6 pt20 -56.49 -38.17 71.39 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.573 1.549 . . . . 1.0 113.871 172.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -65.36 -62.07 1.75 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 127.57 2.348 . . . . 1.0 111.358 175.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -57.43 -38.62 74.69 Favored 'General case' 0 N--CA 1.489 1.485 0 C-N-CA 125.646 1.579 . . . . 1.0 113.26 175.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' HB1' ' CG ' ' A' ' 68' ' ' HIS . . . -62.17 -22.76 66.15 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.069 1.748 . . . . 1.0 114.973 171.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 60.95 30.51 73.47 Favored Glycine 0 CA--C 1.546 2.007 0 CA-C-N 119.254 0.934 . . . . 1.0 114.262 -172.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -148.26 121.45 4.67 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 128.797 2.839 . . . . 1.0 110.221 -172.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -74.42 68.97 5.16 Favored 'Trans proline' 0 CA--C 1.552 1.39 0 C-N-CA 124.226 3.284 . . . . 1.0 113.246 -174.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.629 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.3 m -62.1 161.86 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 C-N-CA 125.767 1.627 . . . . 1.0 113.288 175.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -123.44 -58.29 1.62 Allowed 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.853 2.061 . . . . 1.0 112.735 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.2 p -123.59 174.31 7.51 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 127.799 2.44 . . . . 1.0 114.215 -179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.41 HG21 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -83.75 157.46 63.81 Favored Pre-proline 0 N--CA 1.487 1.384 0 C-N-CA 127.295 2.238 . . . . 1.0 113.907 -172.428 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -72.28 168.91 73.13 Favored 'Cis proline' 0 CA--C 1.554 1.516 0 N-CA-C 116.673 1.759 . . . . 1.0 116.673 8.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.568 ' NE2' HG21 ' A' ' 56' ' ' VAL . 6.1 mm100 -145.1 82.45 1.66 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.725 2.81 . . . . 1.0 111.764 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.9 mt -110.48 152.06 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 C-N-CA 128.005 2.522 . . . . 1.0 115.161 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -126.08 108.02 10.96 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.937 1.695 . . . . 1.0 109.57 175.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.9 t -97.62 130.45 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 126.053 1.741 . . . . 1.0 109.57 177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.57 62.76 1.12 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.831 2.852 . . . . 1.0 111.562 -172.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 55.1 10.09 0.38 Allowed 'General case' 0 CA--C 1.557 1.243 1 C-N-CA 133.26 4.624 . . . . 1.0 118.178 -174.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -125.64 142.34 51.56 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 126.244 1.818 . . . . 1.0 113.253 -173.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.415 ' CG ' ' HB1' ' A' ' 52' ' ' ALA . 17.7 t-80 -60.58 134.35 56.99 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 115.991 1.848 . . . . 1.0 115.991 -174.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.6 mm -135.22 158.14 40.61 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.997 0 C-N-CA 131.104 3.762 . . . . 1.0 107.202 171.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.22 -70.86 0.85 Allowed Glycine 0 CA--C 1.537 1.458 0 O-C-N 119.618 -1.926 . . . . 1.0 111.106 172.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.5 -138.17 9.75 Favored Glycine 0 C--O 1.219 -0.831 0 C-N-CA 126.308 1.909 . . . . 1.0 110.552 -173.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.439 ' CZ ' ' HB2' ' B' ' 140' ' ' ASP . 29.8 t80 -32.58 -53.6 0.33 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.077 1.939 . . . . 1.0 115.047 -172.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.3 t -62.27 -61.61 2.34 Favored 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 125.04 1.336 . . . . 1.0 114.363 173.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -55.78 -47.01 77.81 Favored 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 127.586 2.354 . . . . 1.0 113.429 176.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -60.62 -49.26 78.24 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 130.804 3.642 . . . . 1.0 113.703 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.1 -41.96 97.64 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.1 1.318 . . . . 1.0 111.417 171.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.3 -41.6 93.76 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 124.736 1.214 . . . . 1.0 113.1 171.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -62.6 -53.15 58.97 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.874 2.47 . . . . 1.0 112.927 171.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.0 t -53.1 -52.68 27.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 126.105 1.762 . . . . 1.0 111.421 172.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . 0.285 11.6 ptpt -63.79 -34.01 76.96 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 114.599 1.333 . . . . 1.0 114.599 176.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -60.79 -20.03 60.67 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 126.833 2.053 . . . . 1.0 112.587 171.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -98.82 -58.06 2.03 Favored 'General case' 0 CA--C 1.558 1.262 0 C-N-CA 127.659 2.384 . . . . 1.0 113.24 172.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.1 mt -85.11 -29.69 24.64 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 117.538 2.422 . . . . 1.0 117.538 -171.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -99.21 6.19 46.45 Favored 'General case' 0 CA--C 1.559 1.293 0 C-N-CA 126.48 1.912 . . . . 1.0 113.346 172.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.286 0 C-N-CA 130.606 3.563 . . . . 1.0 114.687 -175.235 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.147 0 N-CA-C 107.782 -2.127 . . . . 1.0 107.782 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.85 107.6 6.6 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 127.255 2.222 . . . . 1.0 106.329 171.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -137.24 120.12 16.39 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 125.83 1.652 . . . . 1.0 111.476 -172.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -100.14 120.41 39.83 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.106 1.362 . . . . 1.0 113.434 -171.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.23 88.48 4.19 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 126.014 1.726 . . . . 1.0 113.269 -172.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.74 132.34 49.59 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 126.707 2.003 . . . . 1.0 113.508 171.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -145.32 95.49 2.68 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.468 1.907 . . . . 1.0 112.699 -178.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -64.96 145.82 55.82 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.495 1.518 . . . . 1.0 113.586 172.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -78.48 98.11 5.95 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.1 1.36 . . . . 1.0 112.347 174.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.6 p -84.89 -32.86 0.49 Allowed Pre-proline 0 N--CA 1.484 1.271 0 C-N-CA 125.962 1.705 . . . . 1.0 114.779 172.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -78.79 75.41 5.03 Favored 'Trans proline' 0 C--N 1.365 1.419 0 C-N-CA 123.429 2.753 . . . . 1.0 110.228 171.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 10.4 t -91.14 171.67 9.09 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.456 1.902 . . . . 1.0 113.552 -172.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . 0.265 6.3 mt -122.54 79.51 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 C-N-CA 126.389 1.876 . . . . 1.0 113.227 -171.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.82 132.75 8.61 Favored 'General case' 0 CA--C 1.555 1.156 1 C-N-CA 131.719 4.008 . . . . 1.0 108.203 173.533 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 72' ' ' TYR . 16.7 p-10 -98.04 98.15 9.51 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 116.796 2.147 . . . . 1.0 116.796 -170.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.256 8.5 t70 -152.68 -111.62 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.236 0 C-N-CA 131.168 3.787 . . . . 1.0 110.712 171.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -58.61 7.48 0.03 OUTLIER Glycine 0 CA--C 1.551 2.287 0 C-N-CA 130.23 3.776 . . . . 1.0 119.382 175.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.2 134.65 49.5 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 120.043 1.921 . . . . 1.0 115.493 -172.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -126.26 19.56 7.54 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 127.788 2.435 . . . . 1.0 115.078 -172.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 1.2 p -123.06 153.16 40.24 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 116.156 1.909 . . . . 1.0 116.156 -174.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 168.45 -17.05 0.07 OUTLIER Glycine 0 N--CA 1.477 1.39 0 N-CA-C 117.953 1.941 . . . . 1.0 117.953 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.66 33.67 17.09 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-N 119.2 1.5 . . . . 1.0 114.485 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.54 121.01 18.96 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 125.574 1.55 . . . . 1.0 107.389 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 73.6 tttt 177.14 156.0 0.29 Allowed 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 129.83 3.252 . . . . 1.0 111.38 -170.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.488 1.461 0 C-N-CA 130.391 3.476 . . . . 1.0 115.353 172.09 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 ttm . . . . . 0 N--CA 1.483 1.215 0 N-CA-C 111.516 0.191 . . . . 1.0 111.516 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.53 120.61 38.03 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.195 1.398 . . . . 1.0 111.249 171.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.6 m -123.72 123.85 41.43 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 126.398 1.879 . . . . 1.0 112.121 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.1 t -115.61 130.83 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 C-N-CA 127.576 2.351 . . . . 1.0 110.793 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 6.7 mt -123.06 125.67 72.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 C-N-CA 127.151 2.18 . . . . 1.0 112.452 -168.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -111.81 100.23 8.76 Favored 'General case' 0 CA--C 1.556 1.181 0 C-N-CA 125.617 1.567 . . . . 1.0 114.384 -170.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.87 74.08 1.11 Allowed Glycine 0 CA--C 1.546 1.973 0 C-N-CA 127.261 2.362 . . . . 1.0 118.868 170.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 32.3 ttt180 -67.74 -30.73 70.27 Favored 'General case' 0 N--CA 1.501 2.098 0 C-N-CA 126.917 2.087 . . . . 1.0 114.635 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.3 t -61.39 128.06 34.49 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 116.496 2.036 . . . . 1.0 116.496 -169.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.03 -3.53 13.23 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 119.702 2.641 . . . . 1.0 119.702 169.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.0 p -123.17 122.66 26.83 Favored Pre-proline 0 CA--C 1.558 1.255 0 CA-C-N 121.47 2.635 . . . . 1.0 112.428 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -61.64 -30.49 85.64 Favored 'Trans proline' 0 C--N 1.36 1.144 0 C-N-CA 124.155 3.237 . . . . 1.0 113.837 -172.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -52.25 -51.48 58.13 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 129.791 3.236 . . . . 1.0 112.958 171.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 t -70.68 -36.69 73.43 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 126.298 1.839 . . . . 1.0 113.981 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.16 -54.9 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-O 116.896 -1.526 . . . . 1.0 111.622 171.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 mtp180 -56.82 -43.2 80.8 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 120.371 1.441 . . . . 1.0 111.873 176.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.37 -50.73 70.72 Favored 'General case' 0 CA--C 1.557 1.241 0 N-CA-C 114.733 1.382 . . . . 1.0 114.733 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 tmpt? -60.37 -50.34 73.99 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 125.195 1.398 . . . . 1.0 113.059 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.2 -37.97 81.85 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 126.984 2.113 . . . . 1.0 113.991 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.71 -43.34 97.96 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 125.862 1.665 . . . . 1.0 113.267 169.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.95 -44.39 96.18 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 124.657 1.183 . . . . 1.0 112.866 171.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -56.64 -45.13 81.75 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 126.632 1.973 . . . . 1.0 114.102 171.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -51.79 -56.45 13.79 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 127.764 2.425 . . . . 1.0 111.063 170.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.83 -45.59 91.92 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.122 1.769 . . . . 1.0 113.578 175.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.0 t -61.66 -35.12 77.06 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 114.234 1.198 . . . . 1.0 114.234 174.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -68.12 -50.85 52.1 Favored 'General case' 0 CA--C 1.559 1.322 0 C-N-CA 125.052 1.341 . . . . 1.0 112.449 169.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -72.04 -18.9 61.91 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 126.725 2.01 . . . . 1.0 114.891 -175.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.5 mtp85 -125.29 170.86 10.89 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 126.506 1.922 . . . . 1.0 115.385 -175.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -88.71 -51.49 5.64 Favored 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 131.309 3.844 . . . . 1.0 114.223 174.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -24.26 58.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 129.78 3.232 . . . . 1.0 117.662 -169.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 26.4 t80 -95.94 102.58 14.39 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.837 1.655 . . . . 1.0 113.419 -167.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.57 133.75 40.66 Favored 'General case' 0 C--O 1.245 0.845 0 C-N-CA 127.889 2.475 . . . . 1.0 114.707 171.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -109.97 138.86 45.75 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 128.615 2.766 . . . . 1.0 114.175 -175.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -127.34 132.69 50.18 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 126.974 2.109 . . . . 1.0 109.028 172.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -121.56 123.34 41.74 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.272 1.429 . . . . 1.0 112.279 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 17.0 t -127.13 108.89 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 127.29 2.236 . . . . 1.0 110.815 -177.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.542 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.251 0.0 OUTLIER -70.09 84.1 0.52 Allowed 'General case' 0 N--CA 1.479 0.987 0 O-C-N 120.339 -1.476 . . . . 1.0 114.638 172.052 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.2 pp -54.31 -37.27 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 120.021 -1.674 . . . . 1.0 111.549 170.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -66.14 -12.18 54.08 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 128.32 2.648 . . . . 1.0 115.241 170.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.542 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -120.38 -45.09 2.45 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 120.379 1.445 . . . . 1.0 114.016 175.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -61.84 -18.77 61.25 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 129.516 3.127 . . . . 1.0 115.209 172.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.26 50.16 2.86 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 126.928 2.204 . . . . 1.0 115.554 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 7.7 mt -134.02 148.69 30.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 126.732 2.013 . . . . 1.0 109.758 -177.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.9 t -132.73 165.84 23.6 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 115.877 1.806 . . . . 1.0 115.877 -169.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.1 OUTLIER -48.0 -40.82 23.78 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 127.984 2.514 . . . . 1.0 113.31 171.012 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 60.2 mp0 -65.39 -20.39 66.36 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 128.799 2.839 . . . . 1.0 114.092 176.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -94.38 -47.63 6.51 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.014 2.126 . . . . 1.0 111.3 170.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.3 mt -53.71 -51.35 63.57 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.24 2.216 . . . . 1.0 114.178 177.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.494 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.4 pt20 -52.27 -32.7 38.47 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 121.316 1.871 . . . . 1.0 114.555 172.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -75.35 -55.8 5.35 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.035 1.334 . . . . 1.0 111.102 176.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.92 -37.49 63.87 Favored 'General case' 0 N--CA 1.492 1.652 0 C-N-CA 126.846 2.058 . . . . 1.0 114.753 172.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.21 -9.72 58.96 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 129.156 2.982 . . . . 1.0 115.632 173.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.89 -53.66 2.54 Favored Glycine 0 CA--C 1.541 1.68 0 C-N-CA 125.574 1.559 . . . . 1.0 113.056 -170.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -69.27 130.96 90.61 Favored Pre-proline 0 N--CA 1.48 1.032 0 C-N-CA 129.514 3.125 . . . . 1.0 112.884 -173.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -65.97 84.54 0.25 Allowed 'Trans proline' 0 CA--C 1.552 1.384 0 C-N-CA 124.22 3.28 . . . . 1.0 111.275 170.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.494 HG22 ' HB3' ' A' ' 49' ' ' GLN . 18.5 m -78.26 149.82 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.361 0 C-N-CA 125.902 1.681 . . . . 1.0 110.729 169.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.554 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 36.6 tp10 -120.23 -18.44 8.01 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.376 1.47 . . . . 1.0 114.738 174.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.5 p -146.37 178.68 8.07 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 128.499 2.72 . . . . 1.0 114.833 -168.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -84.78 162.46 50.02 Favored Pre-proline 0 N--CA 1.489 1.504 0 C-N-CA 127.006 2.122 . . . . 1.0 111.987 168.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -66.65 166.75 58.84 Favored 'Cis proline' 0 CA--C 1.554 1.483 0 N-CA-C 115.112 1.158 . . . . 1.0 115.112 -3.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -135.9 80.22 1.82 Allowed 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 127.067 2.147 . . . . 1.0 111.51 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 46.0 mt -118.92 153.58 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 128.43 2.692 . . . . 1.0 112.916 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -126.62 111.62 14.53 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 127.264 2.226 . . . . 1.0 108.732 170.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.07 144.18 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 C-N-CA 124.797 1.239 . . . . 1.0 109.325 171.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.305 4.4 p-10 47.97 22.73 0.41 Allowed 'General case' 0 CA--C 1.565 1.555 0 C-N-CA 126.608 1.963 . . . . 1.0 116.247 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 75.71 4.0 3.9 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 131.237 3.815 . . . . 1.0 116.786 -172.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -95.98 159.43 14.97 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 127.294 2.238 . . . . 1.0 111.038 169.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -75.76 108.27 8.51 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.185 -1.572 . . . . 1.0 112.363 173.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.7 mm -119.98 102.14 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.332 0 C-N-CA 128.105 2.562 . . . . 1.0 106.132 169.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -24.61 -58.91 0.05 OUTLIER Glycine 0 N--CA 1.477 1.41 0 C-N-CA 127.847 2.642 . . . . 1.0 116.438 -170.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 133.88 -138.43 10.08 Favored Glycine 0 N--CA 1.47 0.906 0 C-N-CA 128.026 2.727 . . . . 1.0 111.284 -178.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -30.82 -52.44 0.17 Allowed 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 127.712 2.405 . . . . 1.0 115.505 -172.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.41 HG23 ' H ' ' A' ' 74' ' ' ASP . 6.3 t -66.28 -63.51 1.06 Allowed 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 125.596 1.558 . . . . 1.0 115.062 173.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.41 ' H ' HG23 ' A' ' 73' ' ' THR . 0.6 OUTLIER -51.63 -52.65 46.12 Favored 'General case' 0 CA--C 1.563 1.465 0 C-N-CA 129.996 3.319 . . . . 1.0 111.528 177.683 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -60.98 -37.35 82.14 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 130.812 3.645 . . . . 1.0 114.699 177.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.58 -37.9 83.26 Favored 'General case' 0 CA--C 1.555 1.146 0 O-C-N 121.01 -1.056 . . . . 1.0 113.79 169.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.48 93.02 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 123.951 0.9 . . . . 1.0 112.505 170.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -55.63 -51.34 67.52 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.27 1.828 . . . . 1.0 113.596 169.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.7 t -55.57 -49.11 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 C-N-CA 125.227 1.411 . . . . 1.0 113.025 172.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -54.89 -48.72 72.63 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-N 119.867 1.212 . . . . 1.0 112.2 170.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -57.54 -11.1 1.78 Allowed 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 127.815 2.446 . . . . 1.0 115.966 170.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -101.69 -48.61 4.25 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 126.969 2.108 . . . . 1.0 113.269 169.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 38.4 mt -94.09 -57.03 2.65 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 128.162 2.585 . . . . 1.0 115.218 -170.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -72.95 -0.18 12.98 Favored 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 126.836 2.055 . . . . 1.0 114.804 171.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.441 0 C-N-CA 129.696 3.198 . . . . 1.0 114.849 174.33 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.129 0 N-CA-C 108.434 -1.866 . . . . 1.0 108.434 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -138.54 105.15 5.33 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.42 1.888 . . . . 1.0 107.747 168.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 25.1 mp0 -139.07 173.15 11.86 Favored 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 127.189 2.196 . . . . 1.0 113.178 -170.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -97.16 95.3 7.65 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 122.683 1.23 . . . . 1.0 111.701 176.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -112.52 86.79 2.43 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 127.175 2.19 . . . . 1.0 110.45 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -126.71 144.42 50.94 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 128.221 2.608 . . . . 1.0 113.008 -177.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -108.83 157.72 18.33 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 126.821 2.049 . . . . 1.0 115.828 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -124.94 174.18 8.15 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 130.554 3.541 . . . . 1.0 112.72 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.705 ' H ' HD13 ' B' ' 134' ' ' LEU 0.259 0.0 OUTLIER -54.01 95.66 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.588 0 O-C-N 120.136 -1.602 . . . . 1.0 115.189 -174.149 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . 0.537 ' H ' ' CD ' ' B' ' 136' ' ' PRO . 29.1 m -136.62 -14.16 0.03 OUTLIER Pre-proline 0 N--CA 1.49 1.532 0 C-N-CA 130.285 3.434 . . . . 1.0 117.27 176.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . 0.537 ' CD ' ' H ' ' B' ' 135' ' ' VAL . 53.3 Cg_endo -87.78 -29.91 0.31 Allowed 'Trans proline' 0 CA--C 1.554 1.491 0 C-N-CA 123.714 2.942 . . . . 1.0 114.376 171.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 9.1 m -153.29 135.14 14.6 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 127.733 2.413 . . . . 1.0 111.611 170.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . 0.262 15.5 tt -132.98 80.78 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 N-CA-C 114.888 1.44 . . . . 1.0 114.888 -176.319 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -89.14 127.29 35.72 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 127.855 2.462 . . . . 1.0 108.305 169.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -108.03 95.08 5.43 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.29 -1.506 . . . . 1.0 112.53 175.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -164.75 -11.08 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 118.354 2.724 . . . . 1.0 118.354 171.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -136.15 62.66 0.6 Allowed Glycine 0 N--CA 1.481 1.68 0 N-CA-C 117.155 1.622 . . . . 1.0 117.155 -169.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 4.7 t -133.69 98.61 4.24 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 127.371 2.269 . . . . 1.0 114.057 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -86.18 6.93 27.09 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 116.65 2.092 . . . . 1.0 116.65 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 5.0 t -122.89 169.93 10.63 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.934 1.694 . . . . 1.0 114.417 -171.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 146.1 3.67 0.54 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 118.328 2.091 . . . . 1.0 118.328 172.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 47.75 16.19 0.07 Allowed 'General case' 0 CA--C 1.564 1.491 0 C-N-CA 131.493 3.917 . . . . 1.0 118.194 170.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.33 141.5 38.4 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.443 2.297 . . . . 1.0 114.607 -170.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.79 -175.41 0.16 Allowed 'General case' 0 N--CA 1.495 1.794 1 C-N-CA 131.881 4.072 . . . . 1.0 112.482 176.483 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 N--CA 1.502 2.159 0 C-N-CA 126.752 2.021 . . . . 1.0 115.665 171.886 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttm . . . . . 0 N--CA 1.483 1.202 0 N-CA-C 112.397 0.518 . . . . 1.0 112.397 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.12 120.58 38.17 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 127.468 2.307 . . . . 1.0 111.683 175.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 90.1 m -121.7 112.77 18.82 Favored 'General case' 0 N--CA 1.487 1.382 0 C-N-CA 125.962 1.705 . . . . 1.0 112.522 -172.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.68 117.44 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 C-N-CA 126.07 1.748 . . . . 1.0 110.537 -175.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.2 mt -101.83 124.03 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 127.731 2.412 . . . . 1.0 112.877 -171.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.37 106.77 17.42 Favored 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 125.078 1.351 . . . . 1.0 113.018 -176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.98 81.22 0.25 Allowed Glycine 0 CA--C 1.539 1.538 0 C-N-CA 129.642 3.496 . . . . 1.0 118.821 172.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -69.39 -47.13 65.16 Favored 'General case' 0 N--CA 1.495 1.822 0 CA-C-N 119.184 1.492 . . . . 1.0 114.419 176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -65.34 123.68 20.22 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.899 1.679 . . . . 1.0 114.496 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.23 -10.93 26.64 Favored Glycine 0 CA--C 1.536 1.398 0 C-N-CA 127.777 2.608 . . . . 1.0 117.663 172.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.501 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 12.8 p -145.96 125.12 6.66 Favored Pre-proline 0 CA--C 1.559 1.294 0 N-CA-C 116.56 2.059 . . . . 1.0 116.56 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -48.65 -45.7 26.76 Favored 'Trans proline' 0 C--N 1.362 1.256 1 C-N-CA 125.768 4.312 . . . . 1.0 114.807 176.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -59.61 -38.42 81.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.35 1.06 . . . . 1.0 112.735 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.501 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 2.3 t -68.48 -43.31 77.2 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.833 1.253 . . . . 1.0 112.521 171.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.3 t -56.32 -52.36 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 CA-C-O 117.5 -1.238 . . . . 1.0 111.418 172.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -64.64 -41.6 96.02 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.946 0.898 . . . . 1.0 111.089 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.36 -44.19 84.15 Favored 'General case' 0 CA--C 1.556 1.209 0 CA-C-N 120.002 1.274 . . . . 1.0 113.942 172.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.25 -61.82 2.11 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 126.344 1.858 . . . . 1.0 111.661 171.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -44.9 -44.46 9.67 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.527 2.331 . . . . 1.0 112.992 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mp -59.13 -49.0 79.53 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.863 2.065 . . . . 1.0 113.066 171.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.1 71.34 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 124.4 1.08 . . . . 1.0 111.954 171.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -61.59 -44.4 97.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 124.453 1.101 . . . . 1.0 112.338 171.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.02 -45.48 71.55 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 129.031 2.932 . . . . 1.0 112.472 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.6 mt -65.66 -50.01 66.55 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.338 2.655 . . . . 1.0 112.891 173.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.9 t -53.81 -42.12 68.06 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 126.881 2.072 . . . . 1.0 113.281 171.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -66.82 -48.24 69.53 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 124.837 1.255 . . . . 1.0 112.242 171.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -63.44 -45.55 90.38 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.912 2.085 . . . . 1.0 112.866 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -111.27 172.97 6.57 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 127.065 2.146 . . . . 1.0 114.788 -171.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -96.66 -41.16 8.65 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 126.362 1.865 . . . . 1.0 114.793 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -73.95 -13.24 60.85 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 128.288 2.635 . . . . 1.0 116.415 -171.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -97.6 110.52 23.07 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 127.436 2.294 . . . . 1.0 114.044 -170.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -112.81 118.29 34.52 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 128.833 2.853 . . . . 1.0 110.172 177.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.56 136.8 47.56 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.95 2.5 . . . . 1.0 115.439 -171.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -129.79 138.64 51.16 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 127.364 2.266 . . . . 1.0 110.089 -176.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -107.75 123.65 48.86 Favored 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.582 1.953 . . . . 1.0 111.903 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 43.0 t -126.03 132.42 70.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 C-N-CA 127.575 2.35 . . . . 1.0 111.761 177.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.622 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -87.86 108.63 19.26 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.599 1.96 . . . . 1.0 115.563 177.757 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.473 HG21 HD11 ' A' ' 48' ' ' LEU . 2.1 pp -71.58 -33.56 49.66 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.091 -1.631 . . . . 1.0 110.631 171.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.7 ttm180 -74.95 -2.86 28.97 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 131.384 3.874 . . . . 1.0 114.421 175.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -125.58 -50.62 1.62 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.467 1.507 . . . . 1.0 112.958 171.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -63.46 -11.23 21.92 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 125.543 1.537 . . . . 1.0 115.012 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.5 64.91 1.54 Allowed Glycine 0 N--CA 1.476 1.343 0 C-N-CA 127.896 2.665 . . . . 1.0 112.55 173.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 44' ' ' THR . 8.7 mt -144.08 161.53 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 126.48 1.912 . . . . 1.0 112.077 -171.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.41 ' N ' HG22 ' A' ' 43' ' ' ILE . 9.6 t -147.77 162.98 38.11 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 129.614 3.166 . . . . 1.0 112.426 -175.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -26.85 56.47 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 115.622 1.712 . . . . 1.0 115.622 173.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -66.09 -42.87 88.75 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.003 0.921 . . . . 1.0 112.109 172.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.15 -52.88 60.66 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.747 2.019 . . . . 1.0 111.829 173.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD11 HG21 ' A' ' 38' ' ' ILE . 11.7 mt -60.25 -29.52 68.83 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-O 117.029 -1.462 . . . . 1.0 113.864 -172.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.888 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.1 pt20 -68.47 -35.02 76.96 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-N 121.602 2.001 . . . . 1.0 111.29 171.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -75.9 -66.55 0.77 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 127.977 2.511 . . . . 1.0 113.024 -172.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.6 mtmm -54.15 -22.73 11.93 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 114.466 1.284 . . . . 1.0 114.466 175.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.72 -39.49 21.87 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 128.597 2.759 . . . . 1.0 116.646 172.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.36 13.58 81.46 Favored Glycine 0 CA--C 1.55 2.263 0 C-N-CA 125.252 1.406 . . . . 1.0 114.247 -171.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -106.27 117.88 56.19 Favored Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 128.547 2.739 . . . . 1.0 108.416 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -71.68 81.04 1.36 Allowed 'Trans proline' 0 CA--C 1.549 1.227 0 C-N-CA 124.47 3.446 . . . . 1.0 113.942 -171.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.888 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.1 m -84.71 159.92 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 C-N-CA 125.049 1.339 . . . . 1.0 114.258 176.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -115.13 -47.95 2.84 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.811 2.044 . . . . 1.0 112.188 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.6 p -150.28 -177.22 5.81 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 131.521 3.928 . . . . 1.0 112.679 -171.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' B' ' 148' ' ' CYS . 0.0 OUTLIER -82.55 155.53 68.68 Favored Pre-proline 0 N--CA 1.492 1.649 0 O-C-N 120.141 -1.599 . . . . 1.0 111.148 -178.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -70.76 168.94 69.73 Favored 'Cis proline' 0 CA--C 1.546 1.116 0 N-CA-C 117.228 1.972 . . . . 1.0 117.228 8.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.562 HE22 HG11 ' A' ' 56' ' ' VAL . 82.0 mm-40 -143.64 81.34 1.69 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 129.413 3.085 . . . . 1.0 110.059 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 35.0 mt -107.74 152.52 9.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 C-N-CA 128.422 2.689 . . . . 1.0 114.892 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -125.63 90.82 3.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.843 2.057 . . . . 1.0 111.273 175.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.6 t -81.98 147.1 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 126.094 1.758 . . . . 1.0 108.723 172.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.31 1.2 p-10 48.55 23.8 0.67 Allowed 'General case' 0 CA--C 1.566 1.588 0 O-C-N 120.063 -1.648 . . . . 1.0 115.399 -172.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 62.62 27.72 16.3 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 128.08 2.552 . . . . 1.0 114.191 -172.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.697 HE22 HD11 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -132.6 135.6 46.0 Favored 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 131.373 3.869 . . . . 1.0 109.513 -178.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -70.6 108.56 4.42 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 119.476 -2.015 . . . . 1.0 114.802 -171.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.697 HD11 HE22 ' A' ' 67' ' ' GLN . 22.7 mm -107.64 125.84 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 129.669 3.188 . . . . 1.0 107.433 171.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -31.92 -64.53 0.23 Allowed Glycine 0 CA--C 1.544 1.859 0 C-N-CA 125.155 1.359 . . . . 1.0 115.052 -175.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.414 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 129.03 -140.74 11.94 Favored Glycine 0 C--O 1.217 -0.928 0 C-N-CA 128.378 2.894 . . . . 1.0 109.465 -172.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.497 ' CE2' ' HA ' ' B' ' 140' ' ' ASP . 4.0 t80 -32.7 -45.04 0.11 Allowed 'General case' 0 N--CA 1.488 1.455 0 C-N-CA 127.371 2.268 . . . . 1.0 115.775 -177.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -63.68 -62.42 1.67 Allowed 'General case' 0 N--CA 1.494 1.758 0 C-N-CA 126.925 2.09 . . . . 1.0 114.763 171.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.414 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.4 OUTLIER -55.62 -55.11 35.87 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 129.117 2.967 . . . . 1.0 112.823 172.667 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.18 -47.32 68.95 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 127.682 2.393 . . . . 1.0 114.749 172.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.68 -49.12 77.55 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 119.972 1.26 . . . . 1.0 111.638 172.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.66 76.0 Favored 'General case' 0 CA--C 1.56 1.34 0 N-CA-C 113.987 1.106 . . . . 1.0 113.987 172.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 54.3 t90 -60.59 -53.65 54.97 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 126.695 1.998 . . . . 1.0 112.0 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.3 t -52.83 -44.31 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 C-N-CA 126.243 1.817 . . . . 1.0 111.96 171.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.429 ' N ' ' HE2' ' A' ' 80' ' ' LYS . 0.6 OUTLIER -57.76 -55.44 34.86 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 125.135 1.374 . . . . 1.0 110.861 172.453 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -52.9 -13.6 0.45 Allowed 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.407 1.883 . . . . 1.0 115.666 171.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -99.88 -59.88 1.63 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 126.334 1.854 . . . . 1.0 112.621 171.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.8 mt -86.68 -41.84 13.87 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 128.142 2.577 . . . . 1.0 116.132 -172.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -93.22 3.45 55.65 Favored 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 128.943 2.897 . . . . 1.0 113.996 177.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.181 1 C-N-CA 132.566 4.346 . . . . 1.0 115.427 -174.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.328 0 N-CA-C 108.96 -1.656 . . . . 1.0 108.96 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.38 106.71 6.42 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 106.057 -1.831 . . . . 1.0 106.057 170.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -137.74 157.44 46.46 Favored 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 128.15 2.58 . . . . 1.0 113.617 -175.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -122.29 100.15 6.8 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.716 1.606 . . . . 1.0 113.911 -176.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.28 89.13 4.37 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.078 2.151 . . . . 1.0 111.061 174.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -125.89 112.83 16.43 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.317 1.847 . . . . 1.0 113.216 -172.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.68 88.55 3.63 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 128.11 2.564 . . . . 1.0 110.934 -175.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.07 121.45 12.5 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 126.147 1.779 . . . . 1.0 112.239 175.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.85 98.15 0.96 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 129.281 3.033 . . . . 1.0 110.491 171.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 69.8 t -69.05 -59.5 5.18 Favored Pre-proline 0 N--CA 1.486 1.367 0 C-N-CA 125.072 1.349 . . . . 1.0 108.877 172.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -85.32 96.18 0.63 Allowed 'Trans proline' 0 CA--C 1.55 1.295 0 C-N-CA 124.176 3.251 . . . . 1.0 107.187 170.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 94.9 p -91.6 108.88 20.21 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.188 1.795 . . . . 1.0 113.108 -172.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 9.3 mt -123.3 77.57 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 C-N-CA 126.615 1.966 . . . . 1.0 110.836 179.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -132.86 99.56 4.64 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.182 2.193 . . . . 1.0 108.497 172.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . 0.497 ' HA ' ' CE2' ' A' ' 72' ' ' TYR . 46.2 m-20 -130.84 97.71 4.41 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.219 1.808 . . . . 1.0 111.136 -176.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -154.26 -178.2 6.96 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 127.125 2.17 . . . . 1.0 115.027 -172.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -54.15 26.92 0.01 OUTLIER Glycine 0 N--CA 1.483 1.815 1 C-N-CA 134.685 5.898 . . . . 1.0 119.947 -171.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 6.3 m -95.67 124.88 39.89 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 127.748 2.419 . . . . 1.0 116.117 177.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -113.16 106.96 15.27 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.34 2.256 . . . . 1.0 109.311 171.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.15 149.71 12.39 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.754 1.622 . . . . 1.0 114.358 174.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 150.46 -16.01 0.98 Allowed Glycine 0 CA--C 1.534 1.251 0 C-N-CA 126.346 1.927 . . . . 1.0 117.901 171.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.1 27.99 6.4 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-N 120.261 2.031 . . . . 1.0 114.04 173.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . 0.445 ' HB2' HG21 ' A' ' 59' ' ' VAL . 1.6 t -72.85 130.64 40.9 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 129.175 2.99 . . . . 1.0 110.85 -171.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt 177.7 124.84 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 126.709 2.004 . . . . 1.0 115.421 -170.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.419 10.6 tp . . . . . 0 N--CA 1.492 1.625 0 C-N-CA 130.933 3.693 . . . . 1.0 117.125 171.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.3 tpp . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 111.538 0.199 . . . . 1.0 111.538 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -118.54 122.68 43.24 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.591 1.956 . . . . 1.0 113.85 172.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 31.5 m -113.8 116.12 28.86 Favored 'General case' 0 N--CA 1.489 1.517 0 C-N-CA 123.985 0.914 . . . . 1.0 111.599 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.6 t -110.68 124.07 67.15 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 127.158 2.183 . . . . 1.0 109.076 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.1 mt -109.96 126.91 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 128.66 2.784 . . . . 1.0 114.502 -170.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -106.09 115.01 29.5 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 126.286 1.835 . . . . 1.0 113.084 176.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.65 72.46 0.96 Allowed Glycine 0 CA--C 1.536 1.397 0 N-CA-C 120.465 2.946 . . . . 1.0 120.465 171.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -76.64 32.14 0.13 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 127.977 2.511 . . . . 1.0 111.464 171.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.7 p -114.46 121.92 45.01 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 131.681 3.992 . . . . 1.0 117.184 -171.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.43 -62.56 2.67 Favored Glycine 0 N--CA 1.48 1.601 0 C-N-CA 126.642 2.067 . . . . 1.0 115.996 171.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.583 ' SG ' HG21 ' A' ' 59' ' ' VAL . 11.1 p -69.45 117.38 52.13 Favored Pre-proline 0 CA--C 1.551 1.018 0 N-CA-C 115.532 1.678 . . . . 1.0 115.532 172.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -67.97 -30.79 32.1 Favored 'Trans proline' 0 CA--C 1.543 0.955 0 C-N-CA 123.647 2.898 . . . . 1.0 114.566 -172.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -66.69 -37.89 85.67 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-N 119.836 1.198 . . . . 1.0 111.14 174.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.521 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -56.62 -46.38 80.96 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.413 1.485 . . . . 1.0 112.668 171.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 63.7 t -60.0 -50.87 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.364 0 C-N-CA 124.153 0.981 . . . . 1.0 110.6 171.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -56.68 -41.54 77.48 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 119.26 0.936 . . . . 1.0 113.172 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.5 -47.39 76.27 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.989 1.715 . . . . 1.0 112.459 172.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.08 -51.67 69.03 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 125.699 1.599 . . . . 1.0 111.019 171.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.47 -44.52 62.47 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.107 1.763 . . . . 1.0 114.221 173.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.6 mp -58.36 -48.52 80.34 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 127.381 2.272 . . . . 1.0 113.375 172.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -44.5 95.57 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.885 0.874 . . . . 1.0 112.062 171.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.05 -43.77 87.04 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.1 1.36 . . . . 1.0 113.028 171.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -53.32 -46.66 69.53 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 129.53 3.132 . . . . 1.0 111.706 175.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.4 mt -65.99 -51.27 59.92 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 128.372 2.669 . . . . 1.0 113.611 171.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.37 -37.25 80.14 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.927 1.691 . . . . 1.0 113.629 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -66.71 -44.49 81.49 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 128.537 2.735 . . . . 1.0 113.033 171.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -66.78 -46.49 75.13 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 127.361 2.264 . . . . 1.0 111.91 -178.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.0 mtm105 -115.78 -178.42 3.39 Favored 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 116.696 2.109 . . . . 1.0 116.696 -171.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -106.52 -36.05 6.89 Favored 'General case' 0 N--CA 1.491 1.591 0 C-N-CA 127.584 2.354 . . . . 1.0 114.97 172.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.05 -32.45 73.83 Favored 'General case' 0 N--CA 1.493 1.704 0 C-N-CA 125.286 1.434 . . . . 1.0 113.395 -171.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -97.99 119.72 37.12 Favored 'General case' 0 C--N 1.316 -0.863 1 C-N-CA 132.422 4.289 . . . . 1.0 110.967 -171.228 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -126.63 126.46 43.62 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 128.95 2.9 . . . . 1.0 110.244 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -109.0 136.94 47.69 Favored 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.249 1.82 . . . . 1.0 114.957 -172.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -129.75 135.01 47.95 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.532 1.933 . . . . 1.0 109.624 -178.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -118.81 123.83 45.73 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.517 1.527 . . . . 1.0 113.693 -178.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.7 t -122.74 115.51 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 128.42 2.688 . . . . 1.0 112.262 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.577 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.316 0.0 OUTLIER -73.1 101.44 3.29 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 116.665 2.098 . . . . 1.0 116.665 173.931 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 pp -70.55 -33.43 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 O-C-N 120.03 -1.669 . . . . 1.0 112.099 172.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -80.68 2.27 26.59 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 126.684 1.994 . . . . 1.0 114.22 172.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.577 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -122.71 -46.8 2.11 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.38 -0.825 . . . . 1.0 112.599 171.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -63.74 -18.25 63.85 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 126.734 2.013 . . . . 1.0 115.183 171.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.53 56.38 2.14 Favored Glycine 0 N--CA 1.478 1.442 0 C-N-CA 127.023 2.249 . . . . 1.0 114.7 175.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.2 mt -132.21 157.62 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 127.654 2.382 . . . . 1.0 111.544 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 t -145.45 164.48 31.43 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 127.436 2.294 . . . . 1.0 113.959 -172.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.79 -31.08 25.62 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.65 1.58 . . . . 1.0 113.756 171.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -63.38 -39.66 95.13 Favored 'General case' 0 CA--C 1.558 1.286 0 C-N-CA 125.544 1.538 . . . . 1.0 111.348 176.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -70.36 -56.99 5.33 Favored 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.67 1.988 . . . . 1.0 111.131 171.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 28.2 mt -57.37 -46.36 83.47 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.943 2.497 . . . . 1.0 112.745 -173.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.589 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.8 pt20 -55.43 -35.42 65.41 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 125.074 1.35 . . . . 1.0 114.077 176.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -81.0 -31.18 34.76 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.181 1.792 . . . . 1.0 113.222 178.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -79.47 -25.05 41.99 Favored 'General case' 0 N--CA 1.493 1.72 0 C-N-CA 127.11 2.164 . . . . 1.0 114.128 171.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.6 -23.68 19.8 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 129.493 3.117 . . . . 1.0 116.45 174.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.73 -25.6 1.15 Allowed Glycine 0 CA--C 1.547 2.037 0 C-N-CA 125.633 1.587 . . . . 1.0 114.655 -171.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -66.89 125.97 91.67 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 130.393 3.477 . . . . 1.0 110.446 171.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -71.09 79.54 1.35 Allowed 'Trans proline' 0 CA--C 1.546 1.081 0 C-N-CA 123.741 2.961 . . . . 1.0 110.68 173.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.589 HG22 ' HB3' ' A' ' 49' ' ' GLN . 5.6 m -84.63 141.53 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.562 1.145 . . . . 1.0 113.001 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -124.21 -28.66 3.67 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.333 2.653 . . . . 1.0 112.655 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 76.7 p -126.94 -179.56 4.9 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 129.953 3.301 . . . . 1.0 112.886 -172.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.583 HG21 ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -101.54 164.98 14.86 Favored Pre-proline 0 N--CA 1.483 1.216 0 C-N-CA 128.435 2.694 . . . . 1.0 113.031 172.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -70.64 168.23 71.3 Favored 'Cis proline' 0 CA--C 1.551 1.365 0 N-CA-C 116.103 1.54 . . . . 1.0 116.103 -1.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.431 HE22 HG11 ' A' ' 56' ' ' VAL . 73.4 mm-40 -135.44 75.01 1.54 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 128.964 2.906 . . . . 1.0 112.126 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.9 mt -105.65 151.36 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 C-N-CA 127.185 2.194 . . . . 1.0 114.421 172.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -129.14 110.39 11.97 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 129.893 3.277 . . . . 1.0 109.759 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.401 HG23 ' HB ' ' A' ' 69' ' ' ILE . 39.8 t -98.29 133.35 40.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.886 1.674 . . . . 1.0 110.331 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 42.91 31.6 0.34 Allowed 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 130.009 3.324 . . . . 1.0 114.079 -172.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 94.37 3.8 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.742 1 C-N-CA 134.348 5.059 . . . . 1.0 116.935 -178.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.35 145.03 50.61 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 119.542 -1.974 . . . . 1.0 113.26 -175.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -60.58 114.23 2.87 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.784 1.401 . . . . 1.0 114.784 -172.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.401 ' HB ' HG23 ' A' ' 64' ' ' VAL . 45.7 mm -131.27 97.48 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 128.718 2.807 . . . . 1.0 106.314 171.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -9.29 -62.77 0.01 OUTLIER Glycine 0 CA--C 1.535 1.343 0 C-N-CA 129.831 3.586 . . . . 1.0 118.648 -174.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.415 ' H ' ' HB2' ' A' ' 74' ' ' ASP . . . 130.2 -144.06 15.33 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 126.25 1.881 . . . . 1.0 111.103 -171.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -33.1 -55.77 0.4 Allowed 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 126.901 2.08 . . . . 1.0 112.783 -172.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 t -54.16 -61.75 2.1 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 127.014 2.125 . . . . 1.0 115.032 173.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.415 ' HB2' ' H ' ' A' ' 71' ' ' GLY . 0.5 OUTLIER -59.86 -58.78 7.09 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 129.238 3.015 . . . . 1.0 111.264 178.137 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -50.61 -39.16 49.28 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 128.767 2.827 . . . . 1.0 115.222 172.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.37 -49.49 66.73 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.76 1.163 . . . . 1.0 110.648 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.22 -36.93 66.51 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 124.923 1.289 . . . . 1.0 113.721 172.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 29.1 t90 -64.94 -53.48 45.68 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 127.944 2.498 . . . . 1.0 113.439 171.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 32.8 t -54.86 -48.8 73.67 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 C-N-CA 125.023 1.329 . . . . 1.0 110.763 172.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -53.44 -52.14 60.38 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 126.445 1.898 . . . . 1.0 112.549 172.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -53.07 -20.11 3.37 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 127.115 2.166 . . . . 1.0 115.417 172.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -100.02 -59.16 1.76 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.24 2.216 . . . . 1.0 114.185 173.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.7 mt -81.28 -63.87 1.31 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 128.198 2.599 . . . . 1.0 113.598 -175.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.12 6.72 1.17 Allowed 'General case' 0 CA--C 1.571 1.762 0 C-N-CA 127.469 2.308 . . . . 1.0 114.868 172.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.204 0 C-N-CA 130.919 3.688 . . . . 1.0 117.262 -171.441 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.164 0 N-CA-C 107.936 -2.065 . . . . 1.0 107.936 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.05 107.54 6.5 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.062 2.145 . . . . 1.0 106.422 171.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 24.2 mp0 -136.98 165.09 26.82 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.644 1.578 . . . . 1.0 113.961 -171.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -139.27 141.38 37.8 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 128.563 2.745 . . . . 1.0 111.597 174.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -97.71 88.61 4.37 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.255 1.422 . . . . 1.0 110.057 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -106.95 97.99 7.7 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.513 1.925 . . . . 1.0 110.584 -172.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -124.32 127.3 47.41 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.368 2.267 . . . . 1.0 111.627 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -89.93 151.47 21.7 Favored 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 114.576 1.325 . . . . 1.0 114.576 177.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.9 101.02 0.23 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.339 2.256 . . . . 1.0 111.682 172.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . 0.294 26.4 m -54.45 -42.05 92.44 Favored Pre-proline 0 N--CA 1.487 1.422 0 CA-C-O 116.48 -1.724 . . . . 1.0 113.417 172.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -80.6 121.96 4.35 Favored 'Trans proline' 0 C--N 1.366 1.452 0 C-N-CA 123.021 2.48 . . . . 1.0 111.521 171.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 4.7 t -91.19 177.04 6.37 Favored 'General case' 0 N--CA 1.487 1.401 0 C-N-CA 125.819 1.648 . . . . 1.0 112.167 176.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 34.2 mm -78.36 76.01 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 119.853 -1.779 . . . . 1.0 109.593 -176.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 43.6 tp60 -123.62 132.61 53.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 131.673 3.989 . . . . 1.0 112.137 -171.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.58 97.63 9.22 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 106.869 -1.53 . . . . 1.0 106.869 171.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -163.92 -163.64 0.81 Allowed 'General case' 0 CA--C 1.569 1.682 0 C-N-CA 129.218 3.007 . . . . 1.0 114.734 177.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -52.62 -10.59 0.99 Allowed Glycine 0 CA--C 1.539 1.584 1 C-N-CA 130.726 4.013 . . . . 1.0 120.473 -172.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.2 t -56.93 102.39 0.08 Allowed 'General case' 0 N--CA 1.488 1.458 0 CA-C-N 121.06 2.43 . . . . 1.0 114.935 177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -81.72 72.94 8.78 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 125.587 1.555 . . . . 1.0 112.193 175.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 36.9 t -141.5 149.38 40.83 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.691 1.596 . . . . 1.0 113.834 -178.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 159.99 -9.32 0.15 Allowed Glycine 0 CA--C 1.543 1.802 0 C-N-CA 128.798 3.094 . . . . 1.0 116.566 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 55.44 24.39 6.68 Favored 'General case' 0 CA--C 1.563 1.48 0 C-N-CA 128.785 2.834 . . . . 1.0 116.218 171.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 1.2 m -72.65 142.1 48.3 Favored 'General case' 0 CA--C 1.557 1.236 0 N-CA-C 118.182 2.66 . . . . 1.0 118.182 -171.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt 176.92 159.36 0.36 Allowed 'General case' 0 N--CA 1.489 1.491 1 C-N-CA 132.834 4.454 . . . . 1.0 110.289 -172.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.253 5.7 tp . . . . . 0 N--CA 1.495 1.794 0 C-N-CA 126.669 1.988 . . . . 1.0 113.858 175.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 112.213 0.449 . . . . 1.0 112.213 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.98 121.7 41.33 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.471 1.109 . . . . 1.0 111.016 171.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.0 m -121.3 121.52 37.88 Favored 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 125.927 1.691 . . . . 1.0 113.034 -171.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 18.5 t -114.37 128.44 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 126.946 2.099 . . . . 1.0 111.403 -172.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.455 HD12 ' O ' ' A' ' 34' ' ' GLN . 2.4 mp -116.23 119.74 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 127.003 2.121 . . . . 1.0 112.192 -171.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -99.92 95.93 7.22 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.721 2.008 . . . . 1.0 112.129 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.51 69.84 1.37 Allowed Glycine 0 CA--C 1.532 1.1 0 C-N-CA 128.468 2.937 . . . . 1.0 118.493 177.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -54.11 -43.3 70.31 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 125.338 1.455 . . . . 1.0 112.025 171.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -86.92 131.74 34.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.17 1.788 . . . . 1.0 114.104 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.1 -14.54 5.93 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 128.171 2.796 . . . . 1.0 117.251 -178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.614 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.3 p -162.4 139.73 6.29 Favored Pre-proline 0 CA--C 1.562 1.427 0 C-N-CA 128.064 2.546 . . . . 1.0 113.635 179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -65.32 -30.38 53.97 Favored 'Trans proline' 0 CA--C 1.548 1.184 0 C-N-CA 123.958 3.106 . . . . 1.0 114.185 -179.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -60.69 -39.0 86.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.84 1.656 . . . . 1.0 113.471 172.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.614 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.8 t -64.47 -39.57 94.06 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.159 1.17 . . . . 1.0 114.159 173.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 95.5 t -57.98 -51.81 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 117.114 -1.422 . . . . 1.0 109.002 171.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.2 mtp85 -56.42 -42.24 77.7 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.987 0.915 . . . . 1.0 113.456 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.39 -44.99 95.14 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 124.831 1.252 . . . . 1.0 113.001 175.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.465 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -64.18 -56.57 13.79 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 125.667 1.587 . . . . 1.0 113.078 171.829 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.93 -37.38 14.2 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 127.99 2.516 . . . . 1.0 113.774 176.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 mp -59.78 -52.85 63.72 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.717 1.607 . . . . 1.0 113.183 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.45 82.37 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 125.028 1.331 . . . . 1.0 112.335 172.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -58.93 -49.1 79.12 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.835 1.254 . . . . 1.0 112.639 171.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 tmmt? -54.53 -46.93 73.65 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 126.49 1.916 . . . . 1.0 112.485 172.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.24 -44.06 92.37 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 126.683 1.993 . . . . 1.0 112.502 171.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.1 t -60.32 -44.07 95.8 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 125.962 1.705 . . . . 1.0 113.568 172.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -62.58 -46.96 85.91 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 126.116 1.766 . . . . 1.0 111.802 171.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.07 -54.48 33.42 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 127.065 2.146 . . . . 1.0 111.09 -176.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.3 mtp85 -100.79 162.73 12.71 Favored 'General case' 0 N--CA 1.488 1.44 0 C-N-CA 128.445 2.698 . . . . 1.0 115.505 -172.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.62 -41.06 12.89 Favored 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 126.386 1.874 . . . . 1.0 111.343 171.556 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -53.01 -27.67 20.45 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 130.3 3.44 . . . . 1.0 118.768 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -98.18 110.49 23.06 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 119.797 3.258 . . . . 1.0 119.797 -170.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -103.56 131.62 50.53 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 128.591 2.756 . . . . 1.0 110.804 171.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.09 136.43 54.15 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 127.071 2.148 . . . . 1.0 113.175 -175.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.455 ' O ' HD12 ' A' ' 5' ' ' ILE . 29.6 tt0 -129.91 134.33 47.42 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.851 1.66 . . . . 1.0 112.132 -176.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -107.23 123.45 48.32 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 128.028 2.531 . . . . 1.0 110.469 -178.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 56.2 t -128.59 118.8 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 C-N-CA 127.026 2.13 . . . . 1.0 110.37 178.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.565 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -87.76 92.01 8.96 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 119.995 -1.69 . . . . 1.0 114.651 -172.2 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pp -76.45 -38.97 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 119.622 -1.924 . . . . 1.0 112.708 -177.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -74.97 -16.29 60.64 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 124.87 1.268 . . . . 1.0 113.361 174.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.565 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -95.88 -51.99 4.25 Favored 'General case' 0 CA--C 1.555 1.164 0 CA-C-N 119.426 1.012 . . . . 1.0 112.792 172.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -69.8 -9.35 54.32 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 126.677 1.991 . . . . 1.0 116.106 178.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 91.26 37.08 6.35 Favored Glycine 0 N--CA 1.483 1.779 0 C-N-CA 126.247 1.88 . . . . 1.0 116.591 172.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.8 mt -117.34 149.22 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 C-N-CA 128.699 2.8 . . . . 1.0 110.002 -175.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -131.96 168.93 17.05 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 126.051 1.74 . . . . 1.0 115.215 -171.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.403 ' HE3' ' HA ' ' A' ' 57' ' ' GLU . 0.0 OUTLIER -44.27 -44.99 8.39 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.461 2.704 . . . . 1.0 112.096 171.535 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.1 mp0 -60.22 -36.16 77.08 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.793 1.637 . . . . 1.0 111.747 -178.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -74.93 -50.07 18.03 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.523 1.929 . . . . 1.0 112.015 172.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 36.3 mt -58.21 -45.2 88.07 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.109 1.764 . . . . 1.0 113.558 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.677 ' HB3' HG22 ' A' ' 56' ' ' VAL . 3.1 pt20 -59.02 -31.37 68.77 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.624 1.342 . . . . 1.0 114.624 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -77.26 -47.23 20.67 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.309 1.844 . . . . 1.0 111.312 174.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -42.02 76.01 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 124.879 1.272 . . . . 1.0 112.28 171.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.12 -21.91 60.65 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.132 2.573 . . . . 1.0 116.331 174.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.01 26.28 58.02 Favored Glycine 0 CA--C 1.547 2.072 0 CA-C-N 119.291 0.951 . . . . 1.0 112.884 -171.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -139.59 120.35 9.49 Favored Pre-proline 0 N--CA 1.481 1.102 0 C-N-CA 130.883 3.673 . . . . 1.0 108.981 -171.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -71.49 75.39 1.99 Allowed 'Trans proline' 0 CA--C 1.55 1.284 0 C-N-CA 124.673 3.582 . . . . 1.0 113.814 -172.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.677 HG22 ' HB3' ' A' ' 49' ' ' GLN . 12.4 m -71.19 149.45 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 125.319 1.448 . . . . 1.0 113.257 175.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 15.4 tp10 -131.79 -21.16 2.48 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 126.689 1.995 . . . . 1.0 113.977 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 66.7 p -140.11 -179.36 5.93 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 130.71 3.604 . . . . 1.0 112.797 -173.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -96.59 154.71 38.42 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 127.759 2.424 . . . . 1.0 111.702 171.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.19 166.67 82.6 Favored 'Cis proline' 0 CA--C 1.544 0.994 0 N-CA-C 116.066 1.526 . . . . 1.0 116.066 7.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.443 HE22 HG11 ' A' ' 56' ' ' VAL . 79.4 mm-40 -134.82 76.32 1.62 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.176 2.19 . . . . 1.0 112.56 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 50.4 mt -111.75 151.21 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 C-N-CA 128.819 2.848 . . . . 1.0 114.535 174.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -130.69 110.36 11.31 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 127.696 2.398 . . . . 1.0 109.056 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.5 t -93.87 138.83 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 C-N-CA 125.768 1.627 . . . . 1.0 109.224 175.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . 0.304 6.7 p-10 41.66 31.43 0.2 Allowed 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 127.491 2.316 . . . . 1.0 115.168 -171.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.255 60.7 mm-40 74.21 9.44 4.52 Favored 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 129.992 3.317 . . . . 1.0 117.07 -174.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -107.71 146.65 31.8 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 128.041 2.536 . . . . 1.0 112.136 172.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -64.96 115.89 5.84 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.857 -1.152 . . . . 1.0 113.327 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.6 mm -133.04 94.68 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 129.134 2.974 . . . . 1.0 104.555 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -15.57 -58.5 0.01 OUTLIER Glycine 0 N--CA 1.475 1.257 0 C-N-CA 128.99 3.186 . . . . 1.0 116.42 -172.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.77 -142.08 13.53 Favored Glycine 0 C--O 1.218 -0.864 0 C-N-CA 127.303 2.383 . . . . 1.0 111.517 -173.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -32.29 -51.08 0.25 Allowed 'General case' 0 CA--C 1.556 1.205 0 C-N-CA 127.164 2.186 . . . . 1.0 114.312 -175.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.424 HG23 ' H ' ' A' ' 74' ' ' ASP . 8.8 t -60.65 -61.47 2.56 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 121.164 1.802 . . . . 1.0 115.019 171.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' H ' HG23 ' A' ' 73' ' ' THR . 1.3 m-20 -62.2 -57.38 11.7 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 130.153 3.381 . . . . 1.0 110.67 -178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -37.62 62.99 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.147 2.579 . . . . 1.0 114.36 171.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.8 -41.43 91.91 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 120.252 1.387 . . . . 1.0 111.996 171.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.95 97.67 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 124.382 1.073 . . . . 1.0 111.273 171.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -57.28 -53.19 60.88 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 127.057 2.143 . . . . 1.0 111.175 171.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 37.3 t -51.55 -52.76 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 C-N-CA 126.845 2.058 . . . . 1.0 111.983 172.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -53.01 59.08 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 120.535 1.516 . . . . 1.0 111.707 172.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -57.47 -13.37 3.52 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 127.863 2.465 . . . . 1.0 115.553 173.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -100.37 -59.33 1.73 Allowed 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 128.171 2.588 . . . . 1.0 112.849 171.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 15.6 mt -72.74 -62.37 1.48 Allowed 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 127.651 2.381 . . . . 1.0 112.981 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -72.08 0.56 9.23 Favored 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.114 2.566 . . . . 1.0 115.367 176.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.451 0 C-N-CA 129.949 3.299 . . . . 1.0 114.856 172.444 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 107.966 -2.053 . . . . 1.0 107.966 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.01 107.57 6.52 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 126.705 2.002 . . . . 1.0 106.43 171.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 25.3 mp0 -137.2 170.43 16.11 Favored 'General case' 0 CA--C 1.553 1.092 0 C-N-CA 126.491 1.917 . . . . 1.0 113.53 -171.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -100.29 132.45 45.66 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.886 1.674 . . . . 1.0 111.333 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -103.94 89.16 3.21 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.818 1.647 . . . . 1.0 110.684 174.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -106.83 98.45 8.11 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.051 1.74 . . . . 1.0 112.002 -172.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -100.81 161.15 13.79 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.676 2.79 . . . . 1.0 116.614 -171.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -116.91 171.89 7.61 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 128.489 2.716 . . . . 1.0 115.676 -175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.662 ' H ' HD13 ' B' ' 134' ' ' LEU . 0.0 OUTLIER -54.59 98.44 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 128.578 2.751 . . . . 1.0 114.964 177.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . 0.615 ' H ' ' HD2' ' B' ' 136' ' ' PRO 0.322 3.8 m -137.4 -42.08 0.02 OUTLIER Pre-proline 0 N--CA 1.493 1.702 0 C-N-CA 127.458 2.303 . . . . 1.0 113.568 171.484 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . 0.615 ' HD2' ' H ' ' B' ' 135' ' ' VAL . 10.1 Cg_endo -56.45 -37.23 97.6 Favored 'Trans proline' 0 C--N 1.372 1.776 0 CA-C-N 123.221 2.186 . . . . 1.0 111.52 171.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 60.8 m -138.23 107.86 6.23 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 127.085 2.154 . . . . 1.0 110.035 171.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 8.8 tt -108.66 6.62 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 C-N-CA 127.336 2.254 . . . . 1.0 114.789 -177.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -48.24 125.66 9.76 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 126.407 1.883 . . . . 1.0 113.048 172.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -105.52 97.74 7.53 Favored 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 124.095 0.958 . . . . 1.0 112.604 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.267 24.1 p30 -160.68 13.18 0.11 Allowed 'General case' 0 CA--C 1.562 1.41 0 N-CA-C 117.578 2.436 . . . . 1.0 117.578 173.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -158.54 72.51 0.23 Allowed Glycine 0 N--CA 1.48 1.626 0 O-C-N 119.838 -1.789 . . . . 1.0 115.834 -174.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 2.9 t -132.16 100.55 5.07 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 126.081 1.752 . . . . 1.0 112.775 -177.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.28 -1.79 12.83 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 117.587 2.44 . . . . 1.0 117.587 -177.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 26.7 t -123.45 160.13 27.53 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 126.089 1.756 . . . . 1.0 113.854 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 156.24 -6.38 0.23 Allowed Glycine 0 CA--C 1.542 1.729 0 N-CA-C 117.651 1.82 . . . . 1.0 117.651 174.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.37 18.02 1.22 Allowed 'General case' 0 CA--C 1.572 1.802 0 C-N-CA 128.499 2.72 . . . . 1.0 116.346 172.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 53.7 t -73.87 123.86 25.03 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 130.848 3.659 . . . . 1.0 116.028 -171.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.81 -176.75 0.14 Allowed 'General case' 0 N--CA 1.497 1.901 0 C-N-CA 130.181 3.392 . . . . 1.0 113.637 175.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.499 2.024 0 C-N-CA 127.486 2.314 . . . . 1.0 115.104 174.622 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 tpp . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 121.535 0.683 . . . . 1.0 111.574 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.79 122.11 41.64 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.057 2.143 . . . . 1.0 111.297 176.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.3 m -117.74 114.09 22.81 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 126.41 1.884 . . . . 1.0 110.952 -172.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.5 t -110.92 129.38 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 127.141 2.176 . . . . 1.0 110.252 -173.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 mt -113.47 127.37 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 127.666 2.386 . . . . 1.0 110.814 -171.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -115.69 96.17 5.49 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.372 1.469 . . . . 1.0 112.145 -172.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.68 28.6 5.91 Favored Glycine 0 N--CA 1.48 1.616 0 N-CA-C 121.53 3.372 . . . . 1.0 121.53 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -54.47 34.5 Favored 'General case' 0 N--CA 1.49 1.555 0 CA-C-N 119.69 1.745 . . . . 1.0 112.354 177.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -71.24 59.84 0.27 Allowed 'General case' 0 N--CA 1.488 1.425 0 C-N-CA 125.927 1.691 . . . . 1.0 112.912 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.98 -61.34 0.02 OUTLIER Glycine 0 CA--C 1.539 1.549 0 C-N-CA 128.79 3.09 . . . . 1.0 113.938 -172.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.479 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 14.8 p -132.37 132.07 22.67 Favored Pre-proline 0 CA--C 1.562 1.414 0 C-N-CA 126.246 1.819 . . . . 1.0 115.746 -172.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -49.0 -40.71 40.86 Favored 'Trans proline' 0 C--N 1.362 1.24 0 C-N-CA 125.293 3.995 . . . . 1.0 116.552 179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -61.1 -39.16 88.92 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 119.677 1.126 . . . . 1.0 113.514 176.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.479 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 5.4 t -64.26 -40.06 95.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.287 1.435 . . . . 1.0 111.639 171.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.44 -51.97 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 124.589 1.156 . . . . 1.0 112.876 171.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -52.84 -41.33 64.15 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-N 120.189 1.359 . . . . 1.0 111.961 177.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.498 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -64.81 -44.15 90.83 Favored 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 125.298 1.439 . . . . 1.0 114.315 171.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.1 tmpt? -58.63 -54.42 47.32 Favored 'General case' 0 N--CA 1.492 1.633 0 C-N-CA 127.134 2.174 . . . . 1.0 112.736 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -52.47 -44.61 65.68 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 128.625 2.77 . . . . 1.0 112.383 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mp -60.62 -50.23 74.33 Favored 'General case' 0 CA--C 1.556 1.186 0 C-N-CA 125.039 1.335 . . . . 1.0 112.467 171.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.0 -43.46 77.69 Favored 'General case' 0 CA--C 1.556 1.199 0 C-N-CA 124.646 1.178 . . . . 1.0 113.278 172.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -59.88 -47.83 84.18 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.833 1.653 . . . . 1.0 113.125 171.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -54.0 -46.7 71.81 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 127.369 2.268 . . . . 1.0 112.172 172.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 31' ' ' PHE . 0.2 OUTLIER -57.29 -55.03 40.07 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 127.295 2.238 . . . . 1.0 112.694 172.071 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 t -59.7 -31.73 69.85 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 114.593 1.331 . . . . 1.0 114.593 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.26 -47.27 71.23 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 126.854 2.062 . . . . 1.0 109.834 170.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -66.11 -32.65 74.23 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 128.058 2.543 . . . . 1.0 113.743 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.429 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -139.78 163.86 31.5 Favored 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 116.671 2.1 . . . . 1.0 116.671 176.479 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -98.11 -13.46 20.95 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 127.459 2.303 . . . . 1.0 113.603 171.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -42.65 61.43 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 127.115 2.166 . . . . 1.0 111.743 171.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.473 ' CD2' HD12 ' A' ' 24' ' ' LEU . 20.7 t80 -98.35 142.22 30.26 Favored 'General case' 0 CA--C 1.552 1.056 1 C-N-CA 132.193 4.197 . . . . 1.0 114.301 -172.152 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -133.04 131.1 40.26 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 127.891 2.476 . . . . 1.0 111.558 172.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -108.88 135.91 49.3 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 125.544 1.538 . . . . 1.0 113.031 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.17 140.45 50.76 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 126.212 1.805 . . . . 1.0 111.204 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -123.76 123.43 40.48 Favored 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.162 1.785 . . . . 1.0 113.525 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.03 119.1 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 129.704 3.202 . . . . 1.0 111.074 -178.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.667 ' HB2' ' HB3' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -73.66 107.23 5.79 Favored 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 116.162 1.912 . . . . 1.0 116.162 173.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 48' ' ' LEU . 2.3 pp -77.9 -35.44 20.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 O-C-N 120.687 -1.258 . . . . 1.0 112.044 177.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -65.27 -37.41 87.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.152 1.381 . . . . 1.0 111.4 171.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -85.16 -47.94 9.64 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 113.27 0.841 . . . . 1.0 113.27 179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -66.29 -8.6 26.03 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 115.641 1.719 . . . . 1.0 115.641 172.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 79.3 58.01 3.03 Favored Glycine 0 N--CA 1.484 1.891 0 C-N-CA 127.343 2.401 . . . . 1.0 115.004 172.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.1 mt -136.02 156.23 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 129.585 3.154 . . . . 1.0 111.994 -171.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.6 t -131.35 170.07 15.14 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.631 2.772 . . . . 1.0 112.79 -177.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -59.63 -30.0 68.41 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.308 -1.495 . . . . 1.0 114.015 172.433 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -57.13 -51.67 68.36 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.994 1.27 . . . . 1.0 111.508 171.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -57.14 -48.99 77.3 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 127.258 2.223 . . . . 1.0 112.099 174.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.417 HD11 HG21 ' A' ' 38' ' ' ILE . 19.1 mt -66.56 -16.55 64.24 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.831 1.652 . . . . 1.0 114.868 175.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.443 ' CB ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -85.18 -47.71 9.85 Favored 'General case' 0 CA--C 1.559 1.32 0 C-N-CA 125.253 1.421 . . . . 1.0 108.254 171.034 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -57.34 -66.12 0.51 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 128.756 2.822 . . . . 1.0 113.554 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -53.04 -15.21 0.75 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 126.747 2.019 . . . . 1.0 115.708 175.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -112.67 -21.27 11.33 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 128.826 2.85 . . . . 1.0 117.144 -175.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 65.94 2.31 12.28 Favored Glycine 0 CA--C 1.55 2.264 0 C-N-CA 124.997 1.284 . . . . 1.0 115.116 -171.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -85.29 125.87 68.75 Favored Pre-proline 0 N--CA 1.488 1.428 0 C-N-CA 130.419 3.488 . . . . 1.0 110.707 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -78.5 64.92 8.62 Favored 'Trans proline' 0 CA--C 1.552 1.399 0 C-N-CA 123.822 3.015 . . . . 1.0 112.63 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.443 HG22 ' CB ' ' A' ' 49' ' ' GLN . 3.2 m -73.55 150.65 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 C-N-CA 124.862 1.265 . . . . 1.0 113.888 -179.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -130.05 -37.13 1.5 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 127.265 2.226 . . . . 1.0 112.964 172.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . 0.303 19.5 p -130.69 -178.29 4.73 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 127.089 2.156 . . . . 1.0 115.008 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.83 161.7 37.87 Favored Pre-proline 0 N--CA 1.493 1.706 0 C-N-CA 126.924 2.09 . . . . 1.0 112.573 175.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -68.04 168.22 60.11 Favored 'Cis proline' 0 CA--C 1.553 1.438 0 N-CA-C 115.654 1.367 . . . . 1.0 115.654 0.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.437 HE22 HG11 ' A' ' 56' ' ' VAL . 83.4 mm-40 -137.87 72.05 1.41 Allowed 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 127.598 2.359 . . . . 1.0 111.844 -173.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.498 HD12 ' HB1' ' A' ' 17' ' ' ALA . 8.9 mt -113.95 151.62 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 C-N-CA 127.386 2.274 . . . . 1.0 114.573 176.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -119.83 118.26 30.32 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.152 2.181 . . . . 1.0 107.928 175.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.6 t -104.56 126.91 59.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.391 0 C-N-CA 124.909 1.284 . . . . 1.0 109.055 175.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 44.54 53.42 7.08 Favored 'General case' 0 CA--C 1.572 1.816 0 C-N-CA 127.762 2.425 . . . . 1.0 110.916 -171.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 56.15 10.55 0.63 Allowed 'General case' 0 CA--C 1.566 1.585 1 C-N-CA 132.269 4.228 . . . . 1.0 116.205 -171.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -104.87 114.83 29.27 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 128.247 2.619 . . . . 1.0 110.552 -175.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -65.96 107.82 1.99 Allowed 'General case' 0 N--CA 1.48 1.029 0 O-C-N 120.673 -1.267 . . . . 1.0 112.149 -174.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.5 mm -97.01 173.85 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.551 1.008 1 C-N-CA 132.773 4.429 . . . . 1.0 108.877 171.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -71.63 -71.75 1.01 Allowed Glycine 0 CA--C 1.536 1.4 0 O-C-N 118.859 -2.401 . . . . 1.0 109.629 171.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.08 -131.99 5.66 Favored Glycine 0 N--CA 1.473 1.158 0 C-N-CA 127.007 2.241 . . . . 1.0 109.314 -171.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -32.3 -53.44 0.3 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.86 2.464 . . . . 1.0 114.887 -178.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.0 t -60.9 -55.67 30.29 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 115.017 1.488 . . . . 1.0 115.017 171.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -69.75 -51.4 34.41 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 129.07 2.948 . . . . 1.0 112.585 -176.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -51.05 -45.32 61.31 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 130.38 3.472 . . . . 1.0 112.978 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.95 -50.79 72.18 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 125.478 1.511 . . . . 1.0 112.529 171.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.41 96.7 Favored 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 125.488 1.515 . . . . 1.0 113.778 172.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 33.6 t90 -56.71 -53.27 59.65 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 128.073 2.549 . . . . 1.0 112.049 171.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.0 t -52.04 -50.12 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.293 0 C-N-CA 125.664 1.586 . . . . 1.0 111.118 171.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -56.94 -48.06 79.2 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.619 1.168 . . . . 1.0 113.48 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.49 -12.93 7.14 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 127.009 2.123 . . . . 1.0 116.156 171.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -99.73 -57.88 2.04 Favored 'General case' 0 CA--C 1.56 1.347 0 C-N-CA 127.733 2.413 . . . . 1.0 112.305 171.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.8 mt -81.76 -55.8 4.4 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 127.816 2.447 . . . . 1.0 114.925 -177.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -71.48 1.86 5.85 Favored 'General case' 0 CA--C 1.56 1.346 0 C-N-CA 125.385 1.474 . . . . 1.0 114.977 172.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.211 0 C-N-CA 130.377 3.471 . . . . 1.0 117.077 -172.048 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.16 0 N-CA-C 107.674 -2.171 . . . . 1.0 107.674 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.97 107.59 6.55 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.941 2.096 . . . . 1.0 106.09 171.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -136.78 121.47 18.53 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.522 1.529 . . . . 1.0 111.893 -171.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -131.35 140.56 49.74 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.81 2.044 . . . . 1.0 113.706 -175.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -97.79 97.54 9.07 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.282 1.833 . . . . 1.0 107.79 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -106.29 117.43 34.01 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.947 1.699 . . . . 1.0 112.258 -171.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -109.98 160.88 16.03 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 128.037 2.535 . . . . 1.0 113.903 -179.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -50.33 152.57 1.77 Allowed 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 126.361 1.864 . . . . 1.0 114.41 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -49.78 110.48 0.39 Allowed 'General case' 0 CA--C 1.554 1.123 0 N-CA-C 115.813 1.782 . . . . 1.0 115.813 -171.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 9.5 p -71.86 -31.04 1.64 Allowed Pre-proline 0 N--CA 1.489 1.484 0 N-CA-C 116.591 2.071 . . . . 1.0 116.591 172.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -65.51 -12.24 34.08 Favored 'Trans proline' 0 C--N 1.366 1.471 0 CA-C-N 123.348 2.231 . . . . 1.0 116.84 -172.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 46.3 t -91.71 108.94 20.27 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.303 1.441 . . . . 1.0 113.294 -178.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . 0.428 ' H ' HD13 ' B' ' 138' ' ' ILE . 0.0 OUTLIER -79.01 104.66 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 C-N-CA 126.465 1.906 . . . . 1.0 113.803 -176.636 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 -147.55 99.31 3.1 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 128.876 2.87 . . . . 1.0 106.044 171.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -101.29 97.62 8.1 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 106.748 -1.575 . . . . 1.0 106.748 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -153.83 162.02 41.58 Favored 'General case' 0 CA--C 1.565 1.543 0 N-CA-C 118.12 2.637 . . . . 1.0 118.12 -170.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 49.38 -7.87 0.01 OUTLIER Glycine 0 N--CA 1.482 1.711 1 C-N-CA 134.475 5.798 . . . . 1.0 122.773 171.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.3 t -91.86 95.24 9.73 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 118.236 2.68 . . . . 1.0 118.236 -172.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -93.52 83.24 4.48 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 106.663 -1.606 . . . . 1.0 106.663 171.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 11.5 p -159.58 146.9 16.87 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 127.317 2.247 . . . . 1.0 114.085 -173.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 149.86 -7.76 0.8 Allowed Glycine 0 N--CA 1.477 1.402 0 N-CA-C 119.335 2.494 . . . . 1.0 119.335 171.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 54.24 21.15 2.94 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 116.629 2.085 . . . . 1.0 116.629 173.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 34.3 t -74.03 129.89 38.75 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 128.346 2.658 . . . . 1.0 114.216 -172.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 13.3 ptmt 176.56 119.8 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 C-N-CA 130.457 3.503 . . . . 1.0 110.248 -172.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . 0.33 7.9 tp . . . . . 0 N--CA 1.497 1.901 0 C-N-CA 127.328 2.251 . . . . 1.0 114.053 -175.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.482 1.15 0 CA-C-O 120.529 0.204 . . . . 1.0 111.288 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -118.6 115.68 25.06 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 127.334 2.254 . . . . 1.0 112.368 172.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 94.6 m -110.53 116.86 32.12 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 126.387 1.875 . . . . 1.0 109.889 -177.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.95 121.27 66.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 C-N-CA 128.068 2.547 . . . . 1.0 109.329 -172.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.469 HD12 ' O ' ' A' ' 34' ' ' GLN . 3.3 mp -109.01 136.22 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.852 1.661 . . . . 1.0 111.718 -172.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -116.07 111.53 20.43 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 124.825 1.25 . . . . 1.0 112.372 -172.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.5 24.19 26.77 Favored Glycine 0 N--CA 1.485 1.941 0 N-CA-C 121.83 3.492 . . . . 1.0 121.83 172.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -52.1 -51.65 56.4 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 126.929 2.092 . . . . 1.0 114.162 -172.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.8 m -63.81 -0.19 0.99 Allowed 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 116.159 1.911 . . . . 1.0 116.159 -177.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.24 -13.31 39.46 Favored Glycine 0 CA--C 1.544 1.859 0 N-CA-C 117.831 1.892 . . . . 1.0 117.831 174.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.478 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 12.3 p -167.4 139.48 2.65 Favored Pre-proline 0 CA--C 1.563 1.446 0 N-CA-C 116.994 2.22 . . . . 1.0 116.994 -172.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -67.11 -33.22 32.2 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 125.15 3.9 . . . . 1.0 115.672 -172.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -66.13 -38.92 89.34 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-N 120.34 1.427 . . . . 1.0 111.42 172.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.478 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 4.6 t -59.09 -40.23 84.65 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.806 1.242 . . . . 1.0 111.678 171.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.8 t -60.77 -52.4 62.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 116.133 -1.889 . . . . 1.0 111.085 171.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -59.59 -42.09 91.76 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 120.537 1.517 . . . . 1.0 112.517 177.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.26 -43.81 88.08 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.219 1.408 . . . . 1.0 113.806 172.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' C ' ' HE2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -63.66 -54.41 36.09 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 125.284 1.433 . . . . 1.0 112.04 172.04 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.07 -38.15 36.95 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 128.319 2.647 . . . . 1.0 113.079 175.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.58 -51.82 68.18 Favored 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 126.411 1.885 . . . . 1.0 112.221 171.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.57 97.84 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 124.549 1.14 . . . . 1.0 113.606 172.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -58.82 -45.47 89.88 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 125.683 1.593 . . . . 1.0 112.894 172.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -55.12 -50.09 70.1 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 128.32 2.648 . . . . 1.0 112.293 171.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.74 -53.21 60.65 Favored 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 126.953 2.101 . . . . 1.0 112.47 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 t -58.81 -34.99 72.15 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 125.983 1.713 . . . . 1.0 114.28 173.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -43.91 81.79 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.207 2.203 . . . . 1.0 112.784 171.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -66.92 -50.68 61.63 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.927 2.091 . . . . 1.0 111.924 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.335 18.1 mtm105 -91.93 -165.65 1.39 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 116.073 1.879 . . . . 1.0 116.073 -171.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -128.56 -5.07 5.29 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.943 2.497 . . . . 1.0 117.36 -171.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -134.0 -15.4 2.31 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 119.093 2.997 . . . . 1.0 119.093 -170.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -97.42 115.09 27.09 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 129.4 3.08 . . . . 1.0 110.875 -170.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -98.72 132.53 44.03 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 131.088 3.755 . . . . 1.0 113.165 -171.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -123.06 135.65 54.5 Favored 'General case' 0 CA--C 1.563 1.452 0 C-N-CA 127.722 2.409 . . . . 1.0 113.989 -175.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.469 ' O ' HD12 ' A' ' 5' ' ' ILE . 6.1 tt0 -133.2 149.3 52.03 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 127.663 2.385 . . . . 1.0 113.254 175.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -126.22 123.54 38.41 Favored 'General case' 0 CA--C 1.562 1.414 0 C-N-CA 125.864 1.666 . . . . 1.0 112.868 175.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.6 t -112.87 120.52 63.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 C-N-CA 130.342 3.457 . . . . 1.0 111.343 -177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.52 86.94 7.35 Favored 'General case' 0 N--CA 1.484 1.226 0 O-C-N 119.594 -1.941 . . . . 1.0 112.497 -173.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.9 pp -72.15 -39.94 65.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 119.515 -1.991 . . . . 1.0 110.687 179.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.0 -7.86 53.09 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 128.076 2.55 . . . . 1.0 113.638 177.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.39 -41.31 2.85 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.826 1.417 . . . . 1.0 114.826 172.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -66.23 -24.04 66.53 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 125.783 1.633 . . . . 1.0 114.734 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 114.58 29.71 2.61 Favored Glycine 0 N--CA 1.484 1.849 0 N-CA-C 117.721 1.848 . . . . 1.0 117.721 173.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.4 mt -118.39 159.95 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 128.877 2.871 . . . . 1.0 112.359 -171.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.8 t -133.95 165.26 25.43 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 127.261 2.224 . . . . 1.0 115.022 -171.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HE2' ' OE2' ' A' ' 46' ' ' GLU 0.263 0.1 OUTLIER -58.85 -25.49 63.31 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.981 1.312 . . . . 1.0 114.43 172.05 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' OE2' ' HE2' ' A' ' 45' ' ' LYS . 8.6 mp0 -61.64 -49.64 75.74 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 125.644 1.577 . . . . 1.0 110.656 171.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -60.3 -39.44 86.95 Favored 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 127.308 2.243 . . . . 1.0 113.891 175.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.4 mt -73.77 -49.55 24.9 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 128.057 2.543 . . . . 1.0 113.195 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.906 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.9 pt20 -50.55 -32.63 19.02 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 121.352 1.887 . . . . 1.0 113.776 175.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -71.73 -67.17 0.55 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 127.014 2.126 . . . . 1.0 113.455 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 37.8 mtmm -60.52 -13.66 15.19 Favored 'General case' 0 N--CA 1.496 1.859 0 C-N-CA 126.5 1.92 . . . . 1.0 115.666 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.79 -22.7 16.79 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 129.377 3.071 . . . . 1.0 116.544 171.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 74.11 -31.49 0.94 Allowed Glycine 0 CA--C 1.548 2.12 0 C-N-CA 125.937 1.732 . . . . 1.0 113.554 -171.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -53.77 120.57 23.82 Favored Pre-proline 0 CA--C 1.548 0.892 0 C-N-CA 131.567 3.947 . . . . 1.0 111.871 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -76.34 68.72 6.75 Favored 'Trans proline' 0 CA--C 1.549 1.238 0 C-N-CA 123.772 2.981 . . . . 1.0 112.301 -177.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.906 HG22 ' HB3' ' A' ' 49' ' ' GLN . 3.3 m -79.92 156.71 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 124.992 1.317 . . . . 1.0 113.788 -175.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -138.52 -40.76 0.5 Allowed 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 127.234 2.213 . . . . 1.0 112.052 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 47.6 p -109.99 -179.06 3.69 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 127.926 2.49 . . . . 1.0 113.528 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.42 158.31 38.93 Favored Pre-proline 0 N--CA 1.482 1.173 0 C-N-CA 125.679 1.592 . . . . 1.0 110.032 171.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -74.18 169.71 73.05 Favored 'Cis proline' 0 CA--C 1.545 1.032 0 N-CA-C 115.124 1.163 . . . . 1.0 115.124 4.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.564 HE22 HG11 ' A' ' 56' ' ' VAL . 97.0 mm-40 -135.44 67.98 1.47 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 128.306 2.642 . . . . 1.0 110.714 178.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.5 mt -99.51 151.43 4.84 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 C-N-CA 126.554 1.941 . . . . 1.0 113.95 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -123.32 117.76 25.99 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.821 2.448 . . . . 1.0 109.234 172.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 39.5 t -107.22 128.11 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 125.164 1.386 . . . . 1.0 108.818 175.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 47.19 45.75 16.35 Favored 'General case' 0 CA--C 1.56 1.349 0 C-N-CA 127.619 2.368 . . . . 1.0 112.048 -171.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.267 2.0 tm0? 70.64 9.06 6.79 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 130.764 3.626 . . . . 1.0 117.377 175.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.51 HE22 HD11 ' A' ' 69' ' ' ILE . 1.9 pp0? -121.82 151.65 40.38 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.475 1.91 . . . . 1.0 112.133 172.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -73.84 107.76 6.26 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.319 1.97 . . . . 1.0 116.319 -171.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.51 HD11 HE22 ' A' ' 67' ' ' GLN . 26.6 mm -108.9 102.03 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 128.762 2.825 . . . . 1.0 103.996 171.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -18.62 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.481 1.678 0 C-N-CA 127.453 2.454 . . . . 1.0 116.09 -171.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.55 -137.72 8.72 Favored Glycine 0 C--O 1.219 -0.81 0 C-N-CA 127.574 2.512 . . . . 1.0 107.856 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -33.62 -54.84 0.45 Allowed 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 127.505 2.322 . . . . 1.0 111.225 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.583 HG21 ' HB3' ' B' ' 144' ' ' GLU . 1.6 t -50.28 -61.29 2.26 Favored 'General case' 0 N--CA 1.492 1.641 0 C-N-CA 128.72 2.808 . . . . 1.0 116.719 171.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -70.14 -44.61 68.54 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 128.083 2.553 . . . . 1.0 113.384 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -57.33 -52.73 64.18 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 130.705 3.602 . . . . 1.0 113.273 173.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.62 -46.89 80.67 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.573 1.549 . . . . 1.0 112.681 172.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.55 -41.89 98.03 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.235 1.014 . . . . 1.0 113.182 172.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 29.9 t90 -59.95 -53.59 56.03 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.96 1.704 . . . . 1.0 112.221 172.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 47.0 t -51.89 -50.97 31.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 127.413 2.285 . . . . 1.0 111.445 172.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -56.68 -56.74 17.6 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 125.269 1.428 . . . . 1.0 112.627 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.49 -13.25 3.4 Favored 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 127.016 2.126 . . . . 1.0 115.022 173.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -100.0 -60.01 1.61 Allowed 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 126.479 1.912 . . . . 1.0 114.526 171.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.0 mt -80.12 -60.02 2.49 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.837 2.855 . . . . 1.0 113.179 -173.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -72.73 -14.89 61.65 Favored 'General case' 0 CA--C 1.552 1.055 0 N-CA-C 115.256 1.576 . . . . 1.0 115.256 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.322 0 C-N-CA 131.524 3.929 . . . . 1.0 115.468 176.587 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.216 0 N-CA-C 109.179 -1.568 . . . . 1.0 109.179 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -137.27 107.33 6.34 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.362 1.465 . . . . 1.0 108.028 171.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -136.81 118.84 15.35 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 126.662 1.985 . . . . 1.0 109.86 -173.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -101.3 126.89 48.09 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 116.76 2.133 . . . . 1.0 116.76 -171.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -140.97 88.56 2.18 Favored 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 127.899 2.48 . . . . 1.0 110.424 171.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -125.99 98.42 5.5 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 125.069 1.348 . . . . 1.0 111.225 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -127.81 88.68 2.81 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 125.602 1.561 . . . . 1.0 114.42 -171.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -51.8 123.31 9.9 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 126.397 1.879 . . . . 1.0 113.376 175.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . 0.576 ' H ' HD23 ' B' ' 134' ' ' LEU . 0.8 OUTLIER -79.35 97.46 6.33 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 123.766 0.827 . . . . 1.0 112.094 176.455 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.5 m -72.72 -28.58 1.03 Allowed Pre-proline 0 N--CA 1.489 1.499 0 N-CA-C 117.257 2.317 . . . . 1.0 117.257 172.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.32 110.34 2.65 Favored 'Trans proline' 0 C--N 1.363 1.337 0 C-N-CA 123.191 2.594 . . . . 1.0 110.694 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 2.8 p -91.35 107.63 19.34 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.046 1.338 . . . . 1.0 111.275 -173.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 15.2 pt -135.28 -45.02 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 127.835 2.454 . . . . 1.0 111.704 172.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -51.76 117.12 2.49 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 119.992 1.269 . . . . 1.0 112.029 172.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.63 96.09 3.88 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-O 124.235 1.969 . . . . 1.0 112.931 175.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . 0.376 5.7 t70 -165.44 -111.74 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.069 1 C-N-CA 132.907 4.483 . . . . 1.0 110.047 170.712 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . -59.82 19.18 0.03 OUTLIER Glycine 0 CA--C 1.545 1.93 1 C-N-CA 133.532 5.349 . . . . 1.0 117.764 171.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.92 108.15 0.48 Allowed 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 128.855 2.862 . . . . 1.0 115.747 -177.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . 0.583 ' HB3' HG21 ' A' ' 73' ' ' THR 0.264 4.2 pt-20 -134.96 62.83 1.63 Allowed 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 127.489 2.316 . . . . 1.0 113.14 171.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.11 143.89 42.77 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 125.78 1.632 . . . . 1.0 115.358 174.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 158.83 -14.3 0.23 Allowed Glycine 0 CA--C 1.541 1.715 0 C-N-CA 127.306 2.384 . . . . 1.0 116.919 171.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 52.91 19.65 1.39 Allowed 'General case' 0 CA--C 1.57 1.726 0 C-N-CA 127.573 2.349 . . . . 1.0 114.681 177.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 11.3 t -73.71 135.25 43.64 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 131.522 3.929 . . . . 1.0 115.647 -171.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt 177.31 163.43 0.53 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 131.106 3.762 . . . . 1.0 110.778 -171.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 11.0 tp . . . . . 0 N--CA 1.491 1.609 0 C-N-CA 124.296 1.039 . . . . 1.0 113.019 171.63 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.7 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 121.964 0.887 . . . . 1.0 111.583 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.07 121.53 40.04 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 126.907 2.083 . . . . 1.0 111.311 174.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.5 m -117.98 113.5 21.77 Favored 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 125.972 1.709 . . . . 1.0 111.351 -172.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.8 t -110.53 135.88 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 126.764 2.025 . . . . 1.0 112.094 -171.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 mt -118.03 123.26 71.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 C-N-CA 128.063 2.545 . . . . 1.0 111.117 -171.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.4 ' HB3' HG21 ' A' ' 38' ' ' ILE . 95.8 m-85 -112.32 103.44 11.57 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.782 2.033 . . . . 1.0 111.739 -173.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.67 72.99 1.13 Allowed Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.352 1.929 . . . . 1.0 117.244 175.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -83.62 -46.29 12.52 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 124.93 1.292 . . . . 1.0 112.583 171.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -63.86 87.37 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 130.375 3.47 . . . . 1.0 112.324 -171.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.41 -13.25 6.26 Favored Glycine 0 CA--C 1.543 1.82 0 C-N-CA 126.543 2.02 . . . . 1.0 117.478 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' SG ' ' HB2' ' A' ' 14' ' ' SER . 11.6 p -135.2 119.76 13.52 Favored Pre-proline 0 CA--C 1.554 1.132 0 CA-C-N 120.396 2.098 . . . . 1.0 116.013 172.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -68.6 -26.05 34.01 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 123.961 3.107 . . . . 1.0 114.593 -171.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -68.53 -38.72 81.1 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.701 0.8 . . . . 1.0 112.84 172.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.452 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 3.3 t -60.22 -41.29 92.76 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.72 1.208 . . . . 1.0 110.547 171.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 71.4 t -60.8 -50.7 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-O 116.168 -1.872 . . . . 1.0 111.019 171.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -49.24 -42.28 40.18 Favored 'General case' 0 N--CA 1.496 1.846 0 CA-C-N 121.78 2.082 . . . . 1.0 112.116 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.494 ' HB1' HD12 ' A' ' 62' ' ' ILE . . . -65.7 -45.2 83.65 Favored 'General case' 0 CA--C 1.562 1.441 0 C-N-CA 126.221 1.808 . . . . 1.0 114.503 174.138 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -55.51 33.71 Favored 'General case' 0 N--CA 1.491 1.603 0 C-N-CA 127.46 2.304 . . . . 1.0 111.798 171.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -52.34 -44.35 65.12 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 128.533 2.733 . . . . 1.0 112.31 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.26 -50.17 72.79 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.957 1.703 . . . . 1.0 113.709 172.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.76 -45.03 74.16 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 124.036 0.934 . . . . 1.0 111.871 172.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -60.71 -44.2 96.87 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 126.477 1.911 . . . . 1.0 112.47 171.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -53.54 -50.86 64.6 Favored 'General case' 0 N--CA 1.488 1.459 0 C-N-CA 128.195 2.598 . . . . 1.0 110.85 175.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.65 -47.14 87.57 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 126.85 2.06 . . . . 1.0 113.977 171.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.1 -48.56 70.59 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.58 1.552 . . . . 1.0 113.568 175.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -66.63 -45.3 79.5 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 129.614 3.166 . . . . 1.0 113.63 171.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -64.82 -35.02 79.77 Favored 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.889 1.675 . . . . 1.0 113.044 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.299 10.1 mtm105 -108.59 -177.73 3.4 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.871 2.069 . . . . 1.0 113.407 -178.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -113.3 -28.88 7.43 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 129.057 2.943 . . . . 1.0 116.365 -170.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.63 -15.15 15.37 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 116.851 2.167 . . . . 1.0 116.851 -171.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.38 123.97 41.39 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 129.752 3.221 . . . . 1.0 110.503 -171.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -123.57 131.65 53.68 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.744 2.018 . . . . 1.0 111.827 -178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -108.71 136.26 48.58 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 127.05 2.14 . . . . 1.0 113.881 -172.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.68 133.74 47.25 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 125.42 1.488 . . . . 1.0 111.415 -173.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -115.66 123.9 49.53 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.694 1.997 . . . . 1.0 114.931 -176.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.0 t -126.47 115.71 42.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 129.274 3.03 . . . . 1.0 112.934 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.61 ' HB2' ' HB3' ' A' ' 40' ' ' ALA 0.431 0.0 OUTLIER -78.06 88.87 4.18 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 115.787 1.773 . . . . 1.0 115.787 171.253 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.4 HG21 ' HB3' ' A' ' 6' ' ' PHE . 2.3 pp -60.25 -38.05 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 125.522 1.529 . . . . 1.0 110.234 171.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.57 -9.64 57.31 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 129.506 3.122 . . . . 1.0 114.413 174.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.61 ' HB3' ' HB2' ' A' ' 37' ' ' ASP . . . -122.31 -45.14 2.23 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 114.1 1.148 . . . . 1.0 114.1 175.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -63.22 -31.65 72.85 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 127.979 2.511 . . . . 1.0 114.056 172.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.98 63.12 0.68 Allowed Glycine 0 N--CA 1.484 1.891 0 C-N-CA 126.4 1.952 . . . . 1.0 114.168 174.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.2 mp -143.72 159.15 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 129.492 3.117 . . . . 1.0 108.709 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -150.29 169.94 20.18 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.668 1.187 . . . . 1.0 114.148 -171.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.62 -33.41 22.09 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 127.898 2.479 . . . . 1.0 114.288 171.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -59.94 -32.64 70.98 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 125.974 1.709 . . . . 1.0 111.868 171.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -82.61 -57.39 3.36 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.804 2.042 . . . . 1.0 111.346 172.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.2 mt -54.93 -38.45 67.68 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.441 1.896 . . . . 1.0 112.995 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.617 ' HB3' HG22 ' A' ' 56' ' ' VAL . 2.5 pt20 -64.3 -45.94 85.79 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 125.5 1.52 . . . . 1.0 112.704 171.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 65.3 mm-40 -61.56 -40.45 94.76 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.911 1.684 . . . . 1.0 111.891 174.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -64.7 -48.01 76.27 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 126.708 2.003 . . . . 1.0 112.406 171.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.85 -22.98 58.37 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.742 2.417 . . . . 1.0 116.996 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 77.54 -33.04 1.61 Allowed Glycine 0 CA--C 1.545 1.919 0 C-N-CA 125.496 1.522 . . . . 1.0 112.953 -171.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' HE3' HG12 ' A' ' 56' ' ' VAL . 38.1 tttp -68.19 118.39 58.51 Favored Pre-proline 0 N--CA 1.482 1.165 0 C-N-CA 128.524 2.73 . . . . 1.0 108.615 171.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -58.09 56.86 0.05 OUTLIER 'Trans proline' 0 CA--C 1.557 1.668 1 C-N-CA 126.04 4.493 . . . . 1.0 115.959 173.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.617 HG22 ' HB3' ' A' ' 49' ' ' GLN . 17.1 m -58.53 143.64 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 O-C-N 120.269 -1.519 . . . . 1.0 113.475 -172.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 32.6 tp10 -125.73 -47.93 1.67 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.422 1.089 . . . . 1.0 112.497 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.9 p -105.3 -179.63 4.0 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 128.667 2.787 . . . . 1.0 113.489 174.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.15 161.73 32.29 Favored Pre-proline 0 N--CA 1.487 1.393 0 C-N-CA 126.877 2.071 . . . . 1.0 110.547 172.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -74.61 169.46 74.15 Favored 'Cis proline' 0 CA--C 1.55 1.306 0 N-CA-C 115.491 1.304 . . . . 1.0 115.491 4.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.414 HE22 ' CG1' ' A' ' 56' ' ' VAL . 80.1 mm-40 -140.5 80.4 1.75 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.385 2.274 . . . . 1.0 112.49 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.494 HD12 ' HB1' ' A' ' 17' ' ' ALA . 11.7 mt -113.37 151.85 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 C-N-CA 128.228 2.611 . . . . 1.0 115.294 175.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -129.14 111.62 13.12 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 129.114 2.965 . . . . 1.0 110.316 176.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 44.9 t -94.81 133.14 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 C-N-CA 126.02 1.728 . . . . 1.0 109.433 176.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 39.96 56.72 2.44 Favored 'General case' 0 CA--C 1.56 1.362 0 C-N-CA 129.319 3.048 . . . . 1.0 110.585 -171.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . 0.287 1.5 pt20 54.0 13.47 0.57 Allowed 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 129.792 3.237 . . . . 1.0 119.311 -172.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -124.29 147.22 48.28 Favored 'General case' 0 N--CA 1.491 1.58 0 CA-C-N 121.6 2.0 . . . . 1.0 113.423 172.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -60.83 124.46 20.51 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.949 1.463 . . . . 1.0 114.949 -171.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -138.1 96.98 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 129.117 2.967 . . . . 1.0 104.666 171.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -16.99 -59.01 0.01 OUTLIER Glycine 0 N--CA 1.479 1.559 0 C-N-CA 127.881 2.658 . . . . 1.0 117.837 -172.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.59 -139.56 11.05 Favored Glycine 0 N--CA 1.471 1.021 0 C-N-CA 126.931 2.205 . . . . 1.0 110.707 -171.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.466 ' H ' ' HB2' ' A' ' 17' ' ' ALA . 13.6 t80 -32.89 -55.07 0.38 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 127.384 2.274 . . . . 1.0 114.933 -177.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 t -53.93 -61.84 2.04 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 125.934 1.694 . . . . 1.0 114.108 171.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.88 -57.83 4.58 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 129.953 3.301 . . . . 1.0 111.968 -174.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -47.7 -44.97 28.07 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 129.181 2.993 . . . . 1.0 113.734 172.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.74 -50.69 72.97 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 119.331 0.969 . . . . 1.0 112.178 172.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.04 92.4 Favored 'General case' 0 CA--C 1.56 1.364 0 C-N-CA 124.552 1.141 . . . . 1.0 113.73 173.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 62.1 t90 -57.26 -52.98 63.14 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 129.357 3.063 . . . . 1.0 112.567 172.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.48 -46.56 95.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 C-N-CA 127.11 2.164 . . . . 1.0 111.163 171.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.9 mttm -58.31 -36.0 72.69 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 120.163 1.347 . . . . 1.0 114.101 175.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -56.67 -15.95 5.42 Favored 'General case' 0 N--CA 1.494 1.753 0 CA-C-N 120.019 1.281 . . . . 1.0 113.161 170.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.1 m-80 -99.86 -59.86 1.64 Allowed 'General case' 0 CA--C 1.562 1.413 0 C-N-CA 129.297 3.039 . . . . 1.0 113.397 171.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.7 mt -78.92 -29.34 44.1 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 127.793 2.437 . . . . 1.0 116.6 -172.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -103.45 6.88 37.88 Favored 'General case' 0 CA--C 1.566 1.573 0 C-N-CA 128.999 2.919 . . . . 1.0 113.19 172.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.185 0 C-N-CA 129.803 3.241 . . . . 1.0 116.83 -171.516 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.145 0 N-CA-C 107.987 -2.045 . . . . 1.0 107.987 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -136.18 107.23 6.71 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 106.562 -1.644 . . . . 1.0 106.562 171.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 27.3 mp0 -137.32 165.75 25.44 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 126.259 1.823 . . . . 1.0 112.914 -171.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -120.39 123.71 43.71 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 125.396 1.478 . . . . 1.0 113.72 177.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' ALA . . . . . . . . . . . . . . . -140.13 97.17 3.18 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 129.329 3.052 . . . . 1.0 109.559 175.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.91 139.84 52.77 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 127.445 2.298 . . . . 1.0 113.765 -172.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -127.7 153.73 46.15 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.927 2.091 . . . . 1.0 113.794 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -102.75 110.05 21.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.531 1.532 . . . . 1.0 111.392 172.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' LEU . . . . . . . . . . . . . 81.0 mt -131.72 98.61 4.53 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.927 1.691 . . . . 1.0 111.937 -173.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . 0.442 ' H ' ' CD ' ' B' ' 136' ' ' PRO . 3.7 p -123.63 -27.52 0.05 OUTLIER Pre-proline 0 N--CA 1.488 1.437 0 C-N-CA 127.191 2.196 . . . . 1.0 114.795 171.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . 0.442 ' CD ' ' H ' ' B' ' 135' ' ' VAL . 78.5 Cg_endo -85.54 94.46 0.62 Allowed 'Trans proline' 0 C--N 1.362 1.249 0 C-N-CA 123.538 2.825 . . . . 1.0 111.621 172.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' SER . . . . . . . . . . . . . 9.3 p -91.07 110.33 21.6 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.634 1.173 . . . . 1.0 109.182 -177.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' ILE . . . . . . . . . . . . . 1.5 pp -115.59 1.92 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 115.852 1.797 . . . . 1.0 115.852 -172.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -97.45 118.81 34.76 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.644 2.377 . . . . 1.0 109.765 171.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -116.01 97.04 5.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 118.947 0.794 . . . . 1.0 111.377 172.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -153.03 10.09 0.45 Allowed 'General case' 0 CA--C 1.555 1.135 0 C-N-CA 128.725 2.81 . . . . 1.0 114.522 173.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 142' ' ' GLY . . . . . . . . . . . . . . . 105.81 111.08 3.56 Favored Glycine 0 CA--C 1.529 0.967 0 N-CA-C 117.691 1.836 . . . . 1.0 117.691 171.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 143' ' ' SER . . . . . . . . . . . . . 3.1 t -128.36 160.76 31.21 Favored 'General case' 0 N--CA 1.488 1.427 0 C-N-CA 127.175 2.19 . . . . 1.0 113.707 171.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 144' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -126.03 62.62 1.24 Allowed 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 126.898 2.079 . . . . 1.0 113.217 -173.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 145' ' ' SER . . . . . . . . . . . . . 45.2 t -141.57 151.87 43.57 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 127.126 2.171 . . . . 1.0 114.863 -176.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 146' ' ' GLY . . . . . . . . . . . . . . . 149.89 -10.05 0.89 Allowed Glycine 0 CA--C 1.54 1.608 0 C-N-CA 128.041 2.734 . . . . 1.0 117.396 171.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 147' ' ' ALA . . . . . . . . . . . . . . . 53.23 22.29 2.61 Favored 'General case' 0 CA--C 1.572 1.826 0 C-N-CA 126.862 2.065 . . . . 1.0 115.813 171.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 148' ' ' CYS . . . . . . . . . . . . . 6.5 t -73.4 142.3 46.96 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 131.179 3.792 . . . . 1.0 116.811 -171.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 149' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt 177.16 166.71 0.57 Allowed 'General case' 0 N--CA 1.498 1.958 0 C-N-CA 129.857 3.263 . . . . 1.0 114.211 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' ILE . . . . . . . . . . . . . 10.6 tp . . . . . 0 N--CA 1.498 1.931 0 C-N-CA 129.913 3.285 . . . . 1.0 114.542 172.359 . . . . . . . . 0 0 . 1 stop_ save_